WorldWideScience

Sample records for dopant counter-anion functionality

  1. Effect of the counter anion of cesium on foliar uptake and translocation

    Energy Technology Data Exchange (ETDEWEB)

    Hasegawa, Hidenao [Department of Radioecology, Institute for Environmental Sciences, 1-7, Ienomae, Obuchi, Rokkasho, Kamikita-gun, Aomori 039-3212 (Japan)], E-mail: hhidenao@ies.or.jp; Tsukada, Hirofumi; Kawabata, Hitoshi [Department of Radioecology, Institute for Environmental Sciences, 1-7, Ienomae, Obuchi, Rokkasho, Kamikita-gun, Aomori 039-3212 (Japan); Chikuchi, Yuki [JGC Plantech Aomori Co. Ltd., Rokkasho, Aomori 039-3212 (Japan); Takaku, Yuichi; Hisamatsu, Shun' ichi [Department of Radioecology, Institute for Environmental Sciences, 1-7, Ienomae, Obuchi, Rokkasho, Kamikita-gun, Aomori 039-3212 (Japan)

    2009-01-15

    Direct deposition of radioactive material onto crops is one important pathway for safety assessment of radionuclides released from nuclear facilities. Foliar uptake of Cs by radish (Raphanus sativus L. cv. Redchim) was studied by applying droplets of Cs solution (CsCl or CsNO{sub 3}) on an upper leaf surface. The uptake of Cs was strongly affected by counter anions of Cs in the applied solution. Approximately 80% of Cs was absorbed for CsCl solution, while only 20% was absorbed for CsNO{sub 3}. The partition of absorbed Cs between leaf and root tuber was quite similar for both Cs compounds, which indicated that behavior of the absorbed Cs in radish was the same for both.

  2. Photosensitive self-assembling materials as functional dopants for organic photovoltaic cells

    Czech Academy of Sciences Publication Activity Database

    Bubnov, Alexej; Iwan, A.; Cigl, Martin; Boharewicz, B.; Tazbir, I.; Wójcik, K.; Sikora, A.; Hamplová, Věra

    2016-01-01

    Roč. 6, č. 14 (2016), s. 11577-11590 ISSN 2046-2069 R&D Projects: GA MŠk 7AMB13PL041; GA MŠk(CZ) LD14007; GA ČR GA15-02843S Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : self-assembling materials * functional dopants * organic photovoltaic cells * azo group * liquid crystal Subject RIV: JI - Composite Materials Impact factor: 3.108, year: 2016

  3. Functionally Graded Thermoelectric Material though One Step Band Gap and Dopant Engineering

    DEFF Research Database (Denmark)

    Jensen, Ellen Marie; Borup, Kasper Andersen; Cederkrantz, Daniel

    , and dopant concentration. Parameters relevant to the thermoelectric properties have been determined along the pulling direction. All of these properties exhibit the wanted gradient. It has thereby been shown that engineering of the electrical contributions to the thermoelectric properties of a material...

  4. Amino Acid Functionalization of Doped Single-Walled Carbon Nanotubes: Effects of Dopants and Side Chains as Well as Zwitterionic Stabilizations.

    Science.gov (United States)

    Jiang, Lisha; Zhu, Chang; Fu, Yujie; Yang, Gang

    2017-04-06

    Functionalization of single-walled carbon nanotubes (SWCNTs) is necessitated in a number of conditions such as drug delivery, and here amino acid functionalization of SWCNTs is conducted within the framework of density functional theory. Functionalization efficiencies of Gly are largely determined by dopants, as a combined effect of atomic radius, electronic configuration, and distortion to SWCNTs. Different functionalization sites in Gly have divergent interaction strengths with M/SWCNTs that decline as O b > N > O a , and this trend seems almost independent of the identity of metallic dopants. B/SWCNT behaves distinctly and prefers to the N site. Dopants affect principally interaction strengths, while amino acids regulate significantly both functionalization configurations and interaction energies. Then focus is given to stabilization of zwitterionic amino acids due to enhanced interactions with the widely used zwitterionic drugs. All metallic dopants render zwitterionic Gly to be the most stable, and side chains in amino acids rather than dopants in M/SWCNTs cause more pronounced effects to zwitterionic stabilizations. Charge transfers between amino acids and M/SWCNTs are closely associated with zwitterionic stabilization effects, and different charge transfer mechanisms between M/SWCNTs and metal ions are interpreted. Thus, this work provides a comprehensive understanding of amino acid functionalization of M/SWCNTs.

  5. Hydrogen adsorption and storage on Palladium – functionalized graphene with NH-dopant: A first principles calculation

    Energy Technology Data Exchange (ETDEWEB)

    Faye, Omar, E-mail: omf071@mail.usask.ca [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal); Szpunar, Jerzy A; Szpunar, Barbara [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Beye, Aboubaker Chedikh [Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal)

    2017-01-15

    Highlights: • H{sub 2} adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H{sub 2} molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H{sub 2} molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H{sub 2} adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H{sub 2} molecules, which helps also to avoid the desorption of Pd(H{sub 2}){sub n} (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

  6. Hydrogen adsorption and storage on Palladium – functionalized graphene with NH-dopant: A first principles calculation

    International Nuclear Information System (INIS)

    Faye, Omar; Szpunar, Jerzy A; Szpunar, Barbara; Beye, Aboubaker Chedikh

    2017-01-01

    Highlights: • H_2 adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H_2 molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H_2 molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H_2 adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H_2 molecules, which helps also to avoid the desorption of Pd(H_2)_n (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

  7. Green Ultrasound versus Conventional Synthesis and Characterization of Specific Task Pyridinium Ionic Liquid Hydrazones Tethering Fluorinated Counter Anions: Novel Inhibitors of Fungal Ergosterol Biosynthesis

    Directory of Open Access Journals (Sweden)

    Nadjet Rezki

    2017-11-01

    Full Text Available A series of specific task ionic liquids (ILs based on a pyridiniumhydrazone scaffold in combination with hexafluorophosphate (PF6−, tetrafluoroboron (BF4− and/or trifluoroacetate (CF3COO− counter anion, were designed and characterized by IR, NMR and mass spectrometry. The reactions were conducted under both conventional and green ultrasound procedures. The antifungal potential of the synthesized compounds 2–25 was investigated against 40 strains of Candida (four standard and 36 clinical isolates. Minimum inhibitory concentrations (MIC90 of the synthesized compounds were in the range of 62.5–2000 μg/mL for both standard and oral Candida isolates. MIC90 results showed that the synthesized 1-(2-(4-chlorophenyl-2-oxoethyl-4-(2-(4-fluorobenzylidenehydrazinecarbonyl-pyridin-1-ium hexafluorophosphate (11 was found to be most effective, followed by 4-(2-(4-fluorobenzylidenehydrazinecarbonyl-1-(2-(4-nitrophenyl-2-oxoethyl-pyridin-1-ium hexafluorophosphate (14 and 1-(2-ethoxy-2-oxoethyl-4-(2-(4-fluorobenzylidenehydrazinecarbonylpyridin-1-ium hexafluorophosphate (8. All the Candida isolates showed marked sensitivity towards the synthesized compounds. Ergosterol content was drastically reduced by more active synthesized compounds, and agreed well with MIC90 values. Confocal scanning laser microscopy (CLSM results showed that the red colored fluorescent dye enters the test agent treated cells, which confirms cell wall and cell membrane damage. The microscopy results obtained suggested membrane-located targets for the action of these synthesized compounds. It appears that the test compounds might be interacting with ergosterol in the fungal cell membranes, decreasing the membrane ergosterol content and ultimately leading to membrane disruption as visible in confocal results. The present study indicates that these synthesized compounds show significant antifungal activity against Candida which forms the basis to carry out further in vivo experiments

  8. Dopant atoms as quantum components in silicon nanoscale devices

    Science.gov (United States)

    Zhao, Xiaosong; Han, Weihua; Wang, Hao; Ma, Liuhong; Li, Xiaoming; Zhang, Wang; Yan, Wei; Yang, Fuhua

    2018-06-01

    Recent progress in nanoscale fabrication allows many fundamental studies of the few dopant atoms in various semiconductor nanostructures. Since the size of nanoscale devices has touched the limit of the nature, a single dopant atom may dominate the performance of the device. Besides, the quantum computing considered as a future choice beyond Moore's law also utilizes dopant atoms as functional units. Therefore, the dopant atoms will play a significant role in the future novel nanoscale devices. This review focuses on the study of few dopant atoms as quantum components in silicon nanoscale device. The control of the number of dopant atoms and unique quantum transport characteristics induced by dopant atoms are presented. It can be predicted that the development of nanoelectronics based on dopant atoms will pave the way for new possibilities in quantum electronics. Project supported by National Key R&D Program of China (No. 2016YFA0200503).

  9. Effect of Low Nickel Dopant on Torque Transducer Response Function in High-Chromium Content ESR Stainless Tool Steels

    Science.gov (United States)

    Wiewel, Joseph L.; Hecox, Bryan G.; Orris, Jason T.; Boley, Mark S.

    2007-03-01

    The change in magnetoelastic torque transducer response was investigated as a low nickel content (up to 0.2%) is alloyed into an ESR (Electro-Slag-Refining) stainless tool steel with a chromium content of around 13%, which our previous studies have proven to be the ideal level of chromium content for optimal transducer performance. Two separate hollow steel 3/4-inch diameter shafts were prepared from ESR 416 and ESR 420 steel, respectively, the first having no nickel content and the second having 0.2% nickel content. The heat treatment of these steels consisted of a hardening process conducted in a helium atmosphere at 1038^oC, followed by an annealing at 871^oC for 5h and a 15^oC cool down rate. Prior and subsequent to the heat treatment processes, the circumferential and axial magnetic hysteresis properties of the samples were measured and their external field signals were mapped over the magnetically polarized regions both with and without applied shear stress up to 2500 psi on the samples. It was found that the effect of the low nickel dopant was to improve torque transducer sensitivity and linearity, but heat treatment worsened the performance of both samples.

  10. Directed Atom-by-Atom Assembly of Dopants in Silicon.

    Science.gov (United States)

    Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R

    2018-05-17

    The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.

  11. Influence of dopant segregation on the work function and electrical properties of Ge-doped in comparison to Sn-doped In{sub 2}O{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Hoyer, Karoline L.; Hubmann, Andreas H.; Klein, Andreas [Surface Science Division, Institute of Materials Science, Technische Universitaet Darmstadt (Germany)

    2017-02-15

    Ge-doped In{sub 2}O{sub 3} thin films prepared by magnetron sputtering are studied using photoelectron spectroscopy and Hall effect measurements. Carrier conductivities of up to 8.35 x 10{sup 3} S cm{sup -1} and carrier mobilities of up to 57 cm{sup 2} V{sup -1}s{sup -1} are observed. The surface Ge concentration is enhanced by a factor of 2-3 compared to the concentration in the interior of the films. The surface Ge concentration increases with more oxidizing deposition conditions, in opposite to what has been reported for Sn-doped In{sub 2}O{sub 3}. Ge-doped In{sub 2}O{sub 3} films exhibit higher work functions as compared to Sn-doped films, in particular at oxidizing conditions. This is attributed to the formation of a GeO{sub 2} surface phase. While segregation of Sn reduces the carrier mobility due to grain boundary scattering, Ge segregation does not show such an effect. The differences are attributed to the different oxidation states of the segregated dopants, in agreement with the observed dependence of segregation on oxygen activity. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Dopant activation mechanism of Bi wire-δ-doping into Si crystal, investigated with wavelength dispersive fluorescence x-ray absorption fine structure and density functional theory.

    Science.gov (United States)

    Murata, Koichi; Kirkham, Christopher; Shimomura, Masaru; Nitta, Kiyofumi; Uruga, Tomoya; Terada, Yasuko; Nittoh, Koh-Ichi; Bowler, David R; Miki, Kazushi

    2017-04-20

    We successfully characterized the local structures of Bi atoms in a wire-δ-doped layer (1/8 ML) in a Si crystal, using wavelength dispersive fluorescence x-ray absorption fine structure at the beamline BL37XU, in SPring-8, with the help of density functional theory calculations. It was found that the burial of Bi nanolines on the Si(0 0 1) surface, via growth of Si capping layer at 400 °C by molecular beam epitaxy, reduced the Bi-Si bond length from [Formula: see text] to [Formula: see text] Å. We infer that following epitaxial growth the Bi-Bi dimers of the nanoline are broken, and the Bi atoms are located at substitutional sites within the Si crystal, leading to the shorter Bi-Si bond lengths.

  13. Effects of shape and dopant on structural, optical absorption, Raman, and vibrational properties of silver and copper quantum clusters: A density functional theory study

    International Nuclear Information System (INIS)

    Li Wei-Yin; Chen Fu-Yi

    2014-01-01

    We investigate the effects of shape and single-atom doping on the structural, optical absorption, Raman, and vibrational properties of Ag 13 , Ag 12 Cu 1 , Cu 13 , and Cu 12 Ag 1 clusters by using the (time-dependent) density functional theory. The results show that the most stable structures are cuboctahedron (COh) for Ag 13 and icosahedron (Ih) for Cu 13 , Ag 12 Cu 1core , and Cu 12 Ag 1sur . In the visible—near infrared optical absorption, the transitions consist of the interband and the intraband transitions. Moreover, red shifts are observed as follows: 1) clusters change from Ag 12 Cu 1core to Ag 13 to Ag 12 Cu 1sur with the same motifs, 2) the shapes of pure Ag 13 and Ag 12 Cu 1core clusters change from COh to Ih to decahedron (Dh), 3) the shape of Ag 12 Cu 1sur clusters changes from Ih to COh to Dh, and 4) the shapes of pure Cu 13 and Cu 12 Ag 1 clusters change from Ih to Dh to COh. All of the Raman and vibrational spectra exhibit many significant vibrational modes related to the shapes and the compositions of the clusters. The ranges of vibrational spectra of Ag 13 , Ag 12 Cu 1 or Cu 13 , and Cu 12 Ag 1 clusters become narrower and the vibrational intensities increase as the shape of the clusters changes from Ih to Dh to COh. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  14. Prospects for photosensitive dopants in liquid argon

    International Nuclear Information System (INIS)

    Anderson, D.F.

    1990-12-01

    Evidence is presented that the addition of a few ppM of a photosensitive dopant to a U/liquid argon or Pb/liquid argon calorimeter will make a substantial reduction in the e/π ratio. Previous results indicating high voltage problems and no change in the e/π ratio in tests of photosensitive dopants with the Fermilab D0 experiment's U/liquid argon tests calorimeter are also explained. 13 refs., 3 figs

  15. Improvement of efficiency roll-off in blue phosphorescence OLED using double dopants emissive layer

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Seung Il; Yoon, Ju An; Kim, Nam Ho; Kim, Jin Wook; Kang, Jin Sung; Moon, Chang-Bum [Department of Green Energy & Semiconductor Engineering, Hoseo University, Asan (Korea, Republic of); Kim, Woo Young, E-mail: wykim@hoseo.edu [Department of Green Energy & Semiconductor Engineering, Hoseo University, Asan (Korea, Republic of); Department of Engineering Physics, McMaster University, Hamilton, Ontario L8S 4L7 (Canada)

    2015-04-15

    Blue phosphorescent organic light-emitting diodes (PHOLEDs) were fabricated using double dopants FIrpic and FIr6 in emissive layer (EML) with structure of ITO/NPB (700 Å)/mCP:FIrpic-8%:FIr6-x% (300 Å)/TPBi (300 Å)/Liq (20 Å)/Al (1200 Å). We optimized concentration of the second dopant FIr6 in the presence of a fixed FIrpic to observe its effect on electrical performance of PHOLED device. 24.8 cd/A of luminous efficiency was achieved by the device with dopant ratio of 8%FIrpic:4%FIr6 in EML. Efficiency roll-off was also improved 20% compared to the PHOLED device singly dopped with FIrpic or FIr6 only. Second doping proved its effect in stabilizing charge balance in EML and enhancing energy transfer of triplet excitons between two dopants. - Highlights: • We fabricated blue PHOLED with double blue phosphorescent dopants in single EML. • Efficiency roll-off was improved by using double dopant in single EML. • The host–dopant transfer is discussed by analyzing the photo-absorption and photoluminescence. • The spectroscopic analysis using multi-peak fits with a Gaussian function.

  16. Dopant-induced ignition of helium nanoplasmas—a mechanistic study

    Science.gov (United States)

    Heidenreich, Andreas; Schomas, Dominik; Mudrich, Marcel

    2017-12-01

    Helium (He) nanodroplets irradiated by intense near-infrared laser pulses form a nanoplasma by avalanche-like electron impact ionizations (EIIs) even at lower laser intensities where He is not directly field ionized, provided that the droplets contain a few dopant atoms which provide seed electrons for the EII avalanche. In this theoretical paper on calcium and xenon doped He droplets we elucidate the mechanism which induces ionization avalanches, termed ignition. We find that the partial loss of seed electrons from the activated droplets starkly assists ignition, as the Coulomb barrier for ionization of helium is lowered by the electric field of the dopant cations, and this deshielding of the cation charges enhances their electric field. In addition, the dopant ions assist the acceleration of the seed electrons (slingshot effect) by the laser field, supporting EIIs of He and also causing electron loss by catapulting electrons away. The dopants’ ability to lower the Coulomb barriers at He as well as the slingshot effect decrease with the spatial expansion of the dopant, causing a dependence of the dopants’ ignition capability on the dopant mass. Here, we develop criteria (impact count functions) to assess the ignition capability of dopants, based on (i) the spatial overlap of the seed electron cloud with the He atoms and (ii) the overlap of their kinetic energy distribution with the distribution of Coulomb barrier heights at He. The relatively long time delays between the instants of dopant ionization and ignition (incubation times) for calcium doped droplets are determined to a large extent by the time it takes to deshield the dopant ions.

  17. Deprotonation effect of tetrahydrofuran-2-carbonitrile buffer gas dopant in ion mobility spectrometry.

    Science.gov (United States)

    Fernandez-Maestre, Roberto; Meza-Morelos, Dairo; Wu, Ching

    2016-06-15

    When dopants are introduced into the buffer gas of an ion mobility spectrometer, spectra are simplified due to charge competition. We used electrospray ionization to inject tetrahydrofuran-2-carbonitrile (F, 2-furonitrile or 2-furancarbonitrile) as a buffer gas dopant into an ion mobility spectrometer coupled to a quadrupole mass spectrometer. Density functional theory was used for theoretical calculations of dopant-ion interaction energies and proton affinities, using the hybrid functional X3LYP/6-311++(d,p) with the Gaussian 09 program that accounts for the basis set superposition error; analytes structures and theoretical calculations with Gaussian were used to explain the behavior of the analytes upon interaction with F. When F was used as a dopant at concentrations below 1.5 mmol m(-3) in the buffer gas, ions were not observed for α-amino acids due to charge competition with the dopant; this deprotonation capability arises from the production of a dimer with a high formation energy that stabilized the positive charge and created steric hindrance that deterred the equilibrium with analyte ions. F could not completely strip other compounds of their charge because they either showed steric hindrance at the charge site that deterred the approach of the dopant (2,4-lutidine, and DTBP), formed intramolecular bonds that stabilized the positive charge (atenolol), had high proton affinity (2,4-lutidine, DTBP, valinol and atenolol), or were inherently ionic (tetraalkylammonium ions). This selective deprotonation suggests the use of F to simplify spectra of complex mixtures in ion mobility and mass spectrometry in metabolomics, proteomics and other studies that generate complex spectra with thousands of peaks. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  18. Effects of small-angle mistilts on dopant visibility in ADF-STEM imaging of nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Held, Jacob T.; Duncan, Samuel; Mkhoyan, K. Andre, E-mail: mkhoyan@umn.edu

    2017-06-15

    Highlights: • ADF-STEM is powerful technique for 3D location of substitutionally doped atoms. • The effects of specimen mistilt on ADF-STEM imaging of doped atoms are evaluated. • Visibility changes over 0–30 mrad mistilts are large enough to preclude 3D dopant location. • Dopant visibility is a strong function of specimen mistilt and cannot be ignored. - Abstract: Quantitative ADF-STEM imaging paired with image simulations has proven to be a powerful technique for determining the three dimensional location of substitutionally doped atoms in thin films. Expansion of this technique to lightly-doped nanocrystals requires an understanding of the influence of specimen mistilt on dopant visibility due to the difficulty of accurate orientation determination in such systems as well as crystal movement under the beam. In this study, the effects of specimen mistilt on ADF-STEM imaging are evaluated using germanium-doped silicon nanocrystals as model systems. It is shown that dopant visibility is a strong function of specimen mistilt, and the accuracy of specimen orientation is an important factor in the analysis of three-dimensional dopant location, but the sensitivity to mistilt can be weakened by increasing the STEM probe convergence angle and optimizing ADF detector inner angle.

  19. Model of dopant action in oxide cathodes

    International Nuclear Information System (INIS)

    Engelsen, Daniel den; Gaertner, Georg

    2005-01-01

    The paper describes an electrochemical model, which largely explains the formation of Ba in the oxide cathode at activation and normal operation. In a non-doped oxide cathode electrolysis of BaO is, besides the exchange reaction from the activators in the cathode nickel, an important source of Ba. By doping with rare earth oxides the conductivity of the oxide layer increases, which implies that the potential difference during current drawing over the oxide layer becomes lower and electrolysis of BaO is suppressed. This implies that the part of the electronic conductivity of the (Ba,Sr)O layer induced by the dopants also controls the sensitivity for poisoning: the higher the dopant level, the larger the sensitivity for poisoning. Furthermore, the suppression of electrolysis during normal operation largely explains why doped oxide cathodes have a better life performance than non-doped cathodes. Finally a hypothesis on the enhancement of sintering upon doping is presented

  20. Carrier illumination measurement of dopant lateral diffusion

    International Nuclear Information System (INIS)

    Budiarto, E.; Segovia, M.; Borden, P.; Felch, S.

    2005-01-01

    This paper describes the application of the carrier illumination technique to non-destructively measure the lateral diffusion of implanted dopants after annealing. Experiments to validate the feasibility of this method employed test structures with a constant line width of 300 nm and varying undoped spaces of 100-5000 nm. The test patterns were implanted with a p-type dopant and annealed in a 3 x 3 matrix. For each implant condition, the measured lateral diffusion was found to increase with annealing temperature, as expected. More interestingly, the lateral diffusion was not observed to relate to the vertical diffusion by a fixed proportionality factor, as is usually assumed. The ratio of lateral to vertical diffusion varies with annealing temperature, with a trend that depends on the implant condition

  1. Profiling N-Type Dopants in Silicon

    Czech Academy of Sciences Publication Activity Database

    Hovorka, Miloš; Mika, Filip; Mikulík, P.; Frank, Luděk

    2010-01-01

    Roč. 51, č. 2 (2010), s. 237-242 ISSN 1345-9678 R&D Projects: GA ČR GP102/09/P543; GA AV ČR IAA100650803 Institutional research plan: CEZ:AV0Z20650511 Keywords : silicon * dopant contrast * photoemission electron microscopy * scanning electron microscopy Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 0.779, year: 2010 http://www.jim.or.jp/journal/e/51/02/237.html

  2. Magnetic properties of ZnO nanowires with Li dopants and Zn vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Xinhong; Cai, Ningning [Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), Ministry of Education, P.O. Box 72, Beijing 100876 (China); Yang, Chuanghua [School of Physics and Telecommunication Engineering, Shanxi University of Technology (SNUT), Hanzhong 723001, Shanxi (China); Chen, Jun [Beijing Applied Physics and Computational Mathematics, Beijing 100088 (China); Lu, Pengfei, E-mail: photon.bupt@gmail.com [Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), Ministry of Education, P.O. Box 72, Beijing 100876 (China)

    2016-04-30

    The electronic and magnetic properties of ZnO nanowire with Li dopants and vacancies have been investigated using first-principles density functional theory. It is found that the Zn vacancy can induce magnetism while increasing the formation energy of the system. However, the calculated results indicate that the introduction of Li-dopants will reduce the formation energy of system. We also have studied the magnetic couplings with vacancies as well as their corresponding configurations with Li-dopants for four configurations of ZnO nanowires. The results show that ferromagnetic properties can be improved/reversed after the introduction of Li-dopants. Ferromagnetic mechanism is originated from the fierce p–p hybridization of O near the Fermi level. We find that ferromagnetism of Li-doped ZnO nanowires with Zn vacancies can be realized at room temperature and they are promising spintronic materials. - Highlights: • Li-dopants will reduce the formation energy of ZnO nanowires with Zn vacancy. • The fierce p–p hybridization of O near Fermi level is responsible for FM properties. • Li-doped ZnO–V{sub Zn} nanowire is a promising FM semiconductor material.

  3. Non-metallic dopant modulation of conductivity in substoichiometric tantalum pentoxide: A first-principles study

    Science.gov (United States)

    Bondi, Robert J.; Fox, Brian P.; Marinella, Matthew J.

    2017-06-01

    We apply density-functional theory calculations to predict dopant modulation of electrical conductivity (σo) for seven dopants (C, Si, Ge, H, F, N, and B) sampled at 18 quantum molecular dynamics configurations of five independent insertion sites into two (high/low) baseline references of σo in amorphous Ta2O5, where each reference contains a single, neutral O vacancy center (VO0). From this statistical population (n = 1260), we analyze defect levels, physical structure, and valence charge distributions to characterize nanoscale modification of the atomistic structure in local dopant neighborhoods. C is the most effective dopant at lowering Ta2Ox σo, while also exhibiting an amphoteric doping behavior by either donating or accepting charge depending on the host oxide matrix. Both B and F robustly increase Ta2Ox σo, although F does so through elimination of Ta high charge outliers, while B insertion conversely creates high charge O outliers through favorable BO3 group formation, especially in the low σo reference. While N applications to dope and passivate oxides are prevalent, we found that N exacerbates the stochasticity of σo we sought to mitigate; sensitivity to the N insertion site and some propensity to form N-O bond chemistries appear responsible. We use direct first-principles predictions of σo to explore feasible Ta2O5 dopants to engineer improved oxides with lower variance and greater repeatability to advance the manufacturability of resistive memory technologies.

  4. Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes

    DEFF Research Database (Denmark)

    Zeng, Zhenhua; Björketun, Mårten E; Ebbesen, Sune

    2013-01-01

    The mechanisms governing the sulfur poisoning of the triple phase boundary (TPB) of Ni-XSZ (X2O3 stabilized zirconia) anodes have been investigated using density functional theory. The calculated sulfur adsorption energies reveal a clear correlation between the size of the cation dopant X3...

  5. Bistable Si dopants in the GaAs (1 1 0) surface

    International Nuclear Information System (INIS)

    Smakman, E P; Koenraad, P M

    2015-01-01

    In this review, recent work is discussed on bistable Si dopants in the GaAs (1 1 0) surface, studied by scanning tunneling microscopy (STM). The bistability arises because the dopant atom can switch between a positive and a negative charge state, which are associated with two different lattice configurations. Manipulation of the Si atom charge configuration is achieved by tuning the local band bending with the STM tip. Furthermore, illuminating the sample with a laser also influences the charge state, allowing the operation of the dopant atom as an optical switch. The switching dynamics without illumination is investigated in detail as a function of temperature, lateral tip position, and applied tunneling conditions. A physical model is presented that independently describes the thermal and quantum tunneling contributions to the switching frequency and charge state occupation of a single Si atom. The basic functionality of a memory cell is demonstrated employing a single bistable Si dopant as the active element, using the STM tip as a gate to write and read the information. (topical review)

  6. Improved optical properties and detectivity of an uncooled silicon carbide mid-wave infrared optical detector with increased dopant concentration

    International Nuclear Information System (INIS)

    Lim, Geunsik; Kar, Aravinda; Manzur, Tariq

    2012-01-01

    An n-type 4H-SiC substrate is doped with gallium using a laser doping technique and its optical response is investigated at the mid-wave infrared (MWIR) wavelength 4.21 μm as a function of the dopant concentration. The dopant creates a p-type energy level of 0.3 eV, which is the energy of a photon corresponding to the MWIR wavelength 4.21 μm. Therefore, Ga-doped SiC can be used as an uncooled MWIR detector because an optical signal was obtained at this wavelength when the sample was at room temperature. The energy level of the Ga dopant in the substrate was confirmed by optical absorption spectroscopy. Secondary ion mass spectroscopy (SIMS) of the doped samples revealed an enhancement in the solid solubility of Ga in the substrate when doping is carried out by increasing the number of laser scans. A higher dopant concentration increases the number of holes in the dopant energy level, enabling photoexcitation of more electrons from the valence band by the incident MWIR photons. The detector performance improves as the dopant concentration increases from 1.15 × 10 19 to 6.25 × 10 20 cm −3 . The detectivity of the optical photodetector is found to be 1.07 × 10 10 cm Hz 1/2 W −1 for the case of doping with four laser passes. (paper)

  7. Transport in Silicon Nanowires: Role of Radial Dopant Profile

    DEFF Research Database (Denmark)

    Markussen, Troels; Rurali, Riccardo; Jauho, Antti-Pekka

    2008-01-01

    distributions of P dopant impurities. We find that the radial distribution of the dopants influences the conductance properties significantly: surface doped wires have longer mean-free paths and smaller sample-to-sample fluctuations in the cross-over from ballistic to diffusive transport. These findings can...

  8. Effect of different carbon fillers and dopant acids on electrical ...

    Indian Academy of Sciences (India)

    The nature of both the carbon filler and the dopant acid can significantly influence the conductivity of these nanocomposites. This paper describes the effects of carbon fillers like carbon black (CB), graphite (GR) and muti-walled carbon nanotubes (MWCNT) and of dopant acids like methane sulfonic acid (MSA), camphor ...

  9. Effect of phosphorus dopant concentration on the carrier mobility in ...

    African Journals Online (AJOL)

    This study investigated the effect of phosphorus dopant concentration on mobility of crystalline silicon (c-Si). It considers different temperature ranges, from 100 K to 500 K, and dopant concentration from 1012 cm-3 to 1020 cm-3 in relation to its effect on the mobility of the crystalline silicon. This study indicates that the ...

  10. Dopant ink composition and method of fabricating a solar cell there from

    Energy Technology Data Exchange (ETDEWEB)

    Loscutoff, Paul; Wu, Kahn; Molesa, Steven Edward

    2017-10-25

    Dopant ink compositions and methods of fabricating solar cells there from are described. A dopant ink composition may include a cross-linkable matrix precursor, a bound dopant species, and a solvent. A method of fabricating a solar cell may include delivering a dopant ink composition to a region above a substrate. The dopant ink composition includes a cross-linkable matrix precursor, a bound dopant species, and a solvent. The method also includes baking the dopant ink composition to remove a substantial portion of the solvent of the dopant ink composition, curing the baked dopant ink composition to cross-link a substantial portion of the cross-linkable matrix precursor of the dopant ink composition, and driving dopants from the cured dopant ink composition toward the substrate.

  11. Dopant ink composition and method of fabricating a solar cell there from

    Science.gov (United States)

    Loscutoff, Paul; Wu, Kahn; Molesa, Steven Edward

    2015-03-31

    Dopant ink compositions and methods of fabricating solar cells there from are described. A dopant ink composition may include a cross-linkable matrix precursor, a bound dopant species, and a solvent. A method of fabricating a solar cell may include delivering a dopant ink composition to a region above a substrate. The dopant ink composition includes a cross-linkable matrix precursor, a bound dopant species, and a solvent. The method also includes baking the dopant ink composition to remove a substantial portion of the solvent of the dopant ink composition, curing the baked dopant ink composition to cross-link a substantial portion of the cross-linkable matrix precursor of the dopant ink composition, and driving dopants from the cured dopant ink composition toward the substrate.

  12. Nucleophilic Aromatic Substitution Between Halogenated Benzene Dopants and Nucleophiles in Atmospheric Pressure Photoionization.

    Science.gov (United States)

    Kauppila, Tiina J; Haack, Alexander; Kroll, Kai; Kersten, Hendrik; Benter, Thorsten

    2016-03-01

    In a preceding work with dopant assisted-atmospheric pressure photoionization (DA-APPI), an abundant ion at [M + 77](+) was observed in the spectra of pyridine and quinoline with chlorobenzene dopant. This contribution aims to reveal the identity and route of formation of this species, and to systematically investigate structurally related analytes and dopants. Compounds containing N-, O-, and S-lone pairs were investigated with APPI in the presence of fluoro-, chloro-, bromo-, and iodobenzene dopants. Computational calculations on a density functional theory (DFT) level were carried out to study the reaction mechanism for pyridine and the different halobenzenes. The experimental and computational results indicated that the [M + 77](+) ion was formed by nucleophilic aromatic ipso-substitution between the halobenzene radical cation and nucleophilic analytes. The reaction was most efficient for N-heteroaromatic compounds, and it was weakened by sterical effects and enhanced by resonance stabilization. The reaction was most efficient with chloro-, bromo-, and iodobenzenes, whereas with fluorobenzene the reaction was scarcely observed. The calculated Gibbs free energies for the reaction between pyridine and the halobenzenes were shown to increase in the order I < Br < Cl < F. The reaction was found endergonic for fluorobenzene due to the strong C-F bonding, and exergonic for the other halobenzenes. For fluoro- and chlorobenzenes the reaction was shown to proceed through an intermediate state corresponding to [M + dopant](+), which was highly stable for fluorobenzene. For the bulkier bromine and iodine, this intermediate did not exist, but the halogens were shown to detach already during the approach by the nucleophile.

  13. Metal oxalate complexes as novel inorganic dopants: Studies on ...

    Indian Academy of Sciences (India)

    Unknown

    UV-visible and IR spectral features not only confirmed the polyaniline doping by complex anions but also substantiated ... MoS3 dopant. Although inorganic metal complexes bear- ... distilled water and then with methanol and acetone until.

  14. Dopant profile engineering of advanced Si MOSFET's using ion implantation

    International Nuclear Information System (INIS)

    Stolk, P.A.; Ponomarev, Y.V.; Schmitz, J.; Brandenburg, A.C.M.C. van; Roes, R.; Montree, A.H.; Woerlee, P.H.

    1999-01-01

    Ion implantation has been used to realize non-uniform, steep retrograde (SR) dopant profiles in the active channel region of advanced Si MOSFET's. After defining the transistor configuration, SR profiles were formed by dopant implantation through the polycrystalline Si gate and the gate oxide (through-the-gate, TG, implantation). The steep nature of the as-implanted profile was retained by applying rapid thermal annealing for dopant activation and implantation damage removal. For NMOS transistors, TG implantation of B yields improved transistor performance through increased carrier mobility, reduced junction capacitances, and reduced susceptibility to short-channel effects. Electrical measurements show that the gate oxide quality is not deteriorated by the ion-induced damage, demonstrating that transistor reliability is preserved. For PMOS transistors, TG implantation of P or As leads to unacceptable source/drain junction broadening as a result of transient enhanced dopant diffusion during thermal activation

  15. Extended OLED operational lifetime through phosphorescent dopant profile management

    Science.gov (United States)

    Forrest, Stephen R.; Zhang, Yifan

    2017-05-30

    This disclosure relates, at least in part, an organic light emitting device, which in some embodiments comprises an anode; a cathode; a first emissive layer disposed between the anode and the cathode, the first emissive layer comprising an electron transporting compound and a phosphorescent emissive dopant compound; and wherein the phosphorescent emissive dopant compound has a concentration gradient, in the emissive layer, which varies from the cathode side of the first emissive layer to the anode side of the emissive layer.

  16. The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2

    KAUST Repository

    Grau-Crespo, Ricardo

    2011-08-03

    Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V 4 + species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic order cannot be reached via low-concentration doping in the non-defective oxide. Oxygen vacancies can introduce additional magnetic centres, and we show here that one of the effects of vanadium doping is to reduce the formation energies of these defects. In the presence of both V dopants and O vacancies all the spins tend to align with the same orientation. We conclude that V doping favours the ferromagnetic behaviour of TiO2 not only by introducing spins associated with the dopant centres but also by increasing the concentration of oxygen vacancies with respect to the pure oxide. © 2001 IOP Publishing Ltd.

  17. The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2

    KAUST Repository

    Grau-Crespo, Ricardo; Schwingenschlö gl, Udo

    2011-01-01

    Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V 4 + species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic order cannot be reached via low-concentration doping in the non-defective oxide. Oxygen vacancies can introduce additional magnetic centres, and we show here that one of the effects of vanadium doping is to reduce the formation energies of these defects. In the presence of both V dopants and O vacancies all the spins tend to align with the same orientation. We conclude that V doping favours the ferromagnetic behaviour of TiO2 not only by introducing spins associated with the dopant centres but also by increasing the concentration of oxygen vacancies with respect to the pure oxide. © 2001 IOP Publishing Ltd.

  18. Dopant-Free and Carrier-Selective Heterocontacts for Silicon Solar Cells: Recent Advances and Perspectives.

    Science.gov (United States)

    Gao, Pingqi; Yang, Zhenhai; He, Jian; Yu, Jing; Liu, Peipei; Zhu, Juye; Ge, Ziyi; Ye, Jichun

    2018-03-01

    By combining the most successful heterojunctions (HJ) with interdigitated back contacts, crystalline silicon (c-Si) solar cells (SCs) have recently demonstrated a record efficiency of 26.6%. However, such SCs still introduce optical/electrical losses and technological issues due to parasitic absorption/Auger recombination inherent to the doped films and the complex process of integrating discrete p + - and n + -HJ contacts. These issues have motivated the search for alternative new functional materials and simplified deposition technologies, whereby carrier-selective contacts (CSCs) can be formed directly with c-Si substrates, and thereafter form IBC cells, via a dopant-free method. Screening and modifying CSC materials in a wider context is beneficial for building dopant-free HJ contacts with better performance, shedding new light on the relatively mature Si photovoltaic field. In this review, a significant number of achievements in two representative dopant-free hole-selective CSCs, i.e . , poly(3,4-ethylene dioxythiophene):poly(styrenesulfonate)/Si and transition metal oxides/Si, have been systemically presented and surveyed. The focus herein is on the latest advances in hole-selective materials modification, interfacial passivation, contact resistivity, light-trapping structure and device architecture design, etc. By analyzing the structure-property relationships of hole-selective materials and assessing their electrical transport properties, promising functional materials as well as important design concepts for such CSCs toward high-performance SCs have been highlighted.

  19. Damage accumulation and dopant migration during shallow As and Sb implantation into Si

    Energy Technology Data Exchange (ETDEWEB)

    Werner, M.; Berg, J.A. van den E-mail: j.a.vandenberg@salford.ac.uk; Armour, D.G.; Vandervorst, W.; Collart, E.H.J.; Goldberg, R.D.; Bailey, P.; Noakes, T.C.Q

    2004-02-01

    The damage evolution and concomitant dopant redistribution as a function of ion fluence during ultra shallow, heavy ion implants into Si have been investigated using medium energy ion scattering (MEIS) and secondary ion mass spectrometry (SIMS). These studies involved As and Sb ions implanted at room temperature, at energies of 2.5 and 2 keV to doses from 3 x 10{sup 13} to 5 x 10{sup 15} cm{sup -2}. MEIS is capable of detecting both the displaced atom and implant profiles with sub-nanometre depth resolution. These studies show that for doses up to 1 x 10{sup 14} cm{sup -2} (at which an amorphous layer is formed) the damage build up does not follow the energy deposition function. Instead it proceeds through the initial formation of a {approx}4 nm wide amorphous layer immediately under the oxide, that grows inwards into the bulk with increasing dose. This behaviour is explained in terms of the migration of some of the interstitials produced along the length of the collision cascade to the oxide or amorphous/crystal Si interface, where their trapping nucleates the growth of a shallow amorphous layer and the subsequent planar growth inwards of the damage layer. Although for doses {>=}4 x 10{sup 14} cm{sup -2} the As depth profiles agreed well with TRIM calculations, for lower doses As was observed to have a shallower profile, {approx}2 nm nearer to the surface. This behaviour is related the growth of the amorphous layer and ascribed to the movement of As into the near-surface amorphous layer (probably mediated by point defect migration) in which the larger dopant is accommodated more easily. SIMS studies have confirmed this dopant segregation effect. Shallow Sb implants also exhibit this novel dopant movement effect for low doses in combination with a damage evolution similar to As.

  20. Damage accumulation and dopant migration during shallow As and Sb implantation into Si

    International Nuclear Information System (INIS)

    Werner, M.; Berg, J.A. van den; Armour, D.G.; Vandervorst, W.; Collart, E.H.J.; Goldberg, R.D.; Bailey, P.; Noakes, T.C.Q.

    2004-01-01

    The damage evolution and concomitant dopant redistribution as a function of ion fluence during ultra shallow, heavy ion implants into Si have been investigated using medium energy ion scattering (MEIS) and secondary ion mass spectrometry (SIMS). These studies involved As and Sb ions implanted at room temperature, at energies of 2.5 and 2 keV to doses from 3 x 10 13 to 5 x 10 15 cm -2 . MEIS is capable of detecting both the displaced atom and implant profiles with sub-nanometre depth resolution. These studies show that for doses up to 1 x 10 14 cm -2 (at which an amorphous layer is formed) the damage build up does not follow the energy deposition function. Instead it proceeds through the initial formation of a ∼4 nm wide amorphous layer immediately under the oxide, that grows inwards into the bulk with increasing dose. This behaviour is explained in terms of the migration of some of the interstitials produced along the length of the collision cascade to the oxide or amorphous/crystal Si interface, where their trapping nucleates the growth of a shallow amorphous layer and the subsequent planar growth inwards of the damage layer. Although for doses ≥4 x 10 14 cm -2 the As depth profiles agreed well with TRIM calculations, for lower doses As was observed to have a shallower profile, ∼2 nm nearer to the surface. This behaviour is related the growth of the amorphous layer and ascribed to the movement of As into the near-surface amorphous layer (probably mediated by point defect migration) in which the larger dopant is accommodated more easily. SIMS studies have confirmed this dopant segregation effect. Shallow Sb implants also exhibit this novel dopant movement effect for low doses in combination with a damage evolution similar to As

  1. Influence of Dopants in ZnO Films on Defects

    Science.gov (United States)

    Peng, Cheng-Xiao; Weng, Hui-Min; Zhang, Yang; Ma, Xing-Ping; Ye, Bang-Jiao

    2008-12-01

    The influence of dopants in ZnO films on defects is investigated by slow positron annihilation technique. The results show S that parameters meet SAl > Sun > SAg for Al-doped ZnO films, undoped and Ag-doped ZnO films. Zinc vacancies are found in all ZnO films with different dopants. According to S parameter and the same defect type, it can be induced that the zinc vacancy concentration is the highest in the Al-doped ZnO film, and it is the least in the Ag-doped ZnO film. When Al atoms are doped in the ZnO films grown on silicon substrates, Zn vacancies increase as compared to the undoped and Ag-doped ZnO films. The dopant concentration could determine the position of Fermi level in materials, while defect formation energy of zinc vacancy strongly depends on the position of Fermi level, so its concentration varies with dopant element and dopant concentration.

  2. Study of Liquid Argon Dopants for LHC Hadron Calorimetry

    CERN Multimedia

    2002-01-01

    Hadron calorimetry based on the Liquid Argon Ionisation Chamber technique is one of the choice techniques for LHC-experimentation. A systematic study of the effect of selected dopants on Liquid Argon (LAr) will be carried out with the aim to achieve an improvement on: \\item (i)~``Fast Liquid Argon'' search and study of dopants to increase the drift velocity. It has been already shown that CH&sub4. added at a fraction of one percent increases the drift velocity by a factor of two or more. \\item (ii)~``Compensated Liquid Argon'' search and study of dopants to increase the response to densely ionising particles, resulting in improved compensation, such as photosensitive dopants. \\end{enumerate}\\\\ \\\\ Monitoring of the parameters involved in understanding the response of a calorimeter is essential. In case of doped LAr, the charge yield, the non-saturated drift velocity and the electron lifetime in the liquid should be precisely and simultaneously monitored as they all vary with the level of dopant concentrati...

  3. Dynamics of Defects and Dopants in Complex Systems: Si and Oxide Surfaces and Interfaces

    Science.gov (United States)

    Kirichenko, Taras; Yu, Decai; Banarjee, Sanjay; Hwang, Gyeong

    2004-10-01

    Fabrication of forthcoming nanometer scale electronic devices faces many difficulties including formation of extremely shallow and highly doped junctions. At present, ultra-low-energy ion implantation followed by high-temperature thermal annealing is most widely used to fabricate such ultra-shallow junctions. In the process, a great challenge lies in achieving precise control of redistribution and electrical activation of dopant impurities. Native defects (such as vacancies and interstitials) generated during implantation are known to be mainly responsible for the TED and also influence significantly the electrical activation/deactivation. Defect-dopant dynamics is rather well understood in crystalline Si and SiO2. However, little is known about their diffusion and annihilation (or precipitation) at the surfaces and interfaces, despite its growing importance in determining junction profiles as device dimensions get smaller. In this talk, we will present our density functional theory calculation results on the atomic and electronic structure and dynamical behavior of native defects and dopant-defect complexes in disordered/strained Si and oxide systems, such as i) clean and absorbent-modified Si(100) surface and subsurface layers, ii) amorphous-crystalline Si interfaces and iii) amorphous SiO2/Si interfaces. The fundamental understanding and data is essential in developing a comprehensive kinetic model for junction formation, which would contribute greatly in improving current process technologies.

  4. Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in Si crystal

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Mingshu [School of Physical Sciences, University of Science and Technology of China, Hefei, Anhui Province 230026 (China); Dong, Juncai, E-mail: dongjc@ihep.ac.cn [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Chen, Dongliang [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

    2017-02-01

    Doping is widely applied in yielding desirable properties and functions in silicon technology; thus, fully understanding the relaxation mechanism for lattice-mismatch strain is of fundamental importance. Here we systematically study the local lattice distortion near dilute IIIA-, IVA-, and VA-group substitutional dopants in Si crystal using density functional theory, and anomalous radial and angular strain relaxation modes are first revealed. Both the nearest-neighbor (NN) bond-distances and the tetrahedral bond-angles are found to exhibit completely opposite dependence on the electronic configurations for the low Z (Z<26) and high Z (Z>26) dopants. More surprisingly, negative and positive angular shifts for the second NN twelve Si2 atoms are unveiled surrounding the p- and n-type dopants, respectively. While electron localization function shows that the doped hole and electron are highly localized near the dopants, hence being responsible for the abnormal angular shifts, a universal radial strain relaxation mechanism dominated by a competition of the Coulomb interactions among the ion-core, bond-charge, and the localized hole or electron is also proposed. These findings may prove to be instrumental in precise design of silicon-based solotronics.

  5. Click functionalization of phenyl-capped bithiophene on azide-terminated self-assembled monolayers

    International Nuclear Information System (INIS)

    Zheng, Yijun; Cui, Jiaxi; Ikeda, Taichi

    2015-01-01

    Graphical abstract: - Highlights: • Electrochemically-active self-assembled monolayers with phenyl-capped bithiophene were prepared. • Post-functionalization method based on click chemistry solved the solubility issue of phenyl-capped thiophene alkanethiol. • The capture and release of the counter anions during the redox reaction were detectable by E-QCM. - Abstract: We immobilized tetra(ethylene glycol)-substituted phenyl-capped bithiophene with alkyne terminals (Ph2TPh-alkyne) on azide-terminated self-assembled monolayers (N 3 -SAMs) by Cu-catalyzed azide-alkyne cycloaddition reaction. Ph2TPh-functionalized SAMs on a gold substrate showed reversible electrochemical response. The surface densities of the azide groups in N 3 -SAMs and Ph2TPh units in Ph2TPh-functionalized SAMs were estimated to be 7.3 ± 0.3 × 10 −10 mol cm −2 and 4.6 ± 0.3 × 10 −10 mol cm −2 , respectively, by quartz crystal microbalance (QCM). Most of Ph2TPh-alkynes are considered to be anchored on N 3 -SAMs via both terminal groups. Ph2TPh-functionalized SAMs exhibited reversible redox peaks in cyclic voltammetry (CV). In redox reaction, reversible capture and release of the counter anion could be monitored by electrochemical QCM (E-QCM).

  6. Click functionalization of phenyl-capped bithiophene on azide-terminated self-assembled monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Yijun; Cui, Jiaxi [Max Planck Institute for Polymer Research (MPIP), Ackermannweg 10, Mainz 55128 (Germany); Ikeda, Taichi, E-mail: IKEDA.Taichi@nims.go.jp [Max Planck Institute for Polymer Research (MPIP), Ackermannweg 10, Mainz 55128 (Germany); Polymer Materials Unit, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba 305-0044 (Japan)

    2015-11-15

    Graphical abstract: - Highlights: • Electrochemically-active self-assembled monolayers with phenyl-capped bithiophene were prepared. • Post-functionalization method based on click chemistry solved the solubility issue of phenyl-capped thiophene alkanethiol. • The capture and release of the counter anions during the redox reaction were detectable by E-QCM. - Abstract: We immobilized tetra(ethylene glycol)-substituted phenyl-capped bithiophene with alkyne terminals (Ph2TPh-alkyne) on azide-terminated self-assembled monolayers (N{sub 3}-SAMs) by Cu-catalyzed azide-alkyne cycloaddition reaction. Ph2TPh-functionalized SAMs on a gold substrate showed reversible electrochemical response. The surface densities of the azide groups in N{sub 3}-SAMs and Ph2TPh units in Ph2TPh-functionalized SAMs were estimated to be 7.3 ± 0.3 × 10{sup −10} mol cm{sup −2} and 4.6 ± 0.3 × 10{sup −10} mol cm{sup −2}, respectively, by quartz crystal microbalance (QCM). Most of Ph2TPh-alkynes are considered to be anchored on N{sub 3}-SAMs via both terminal groups. Ph2TPh-functionalized SAMs exhibited reversible redox peaks in cyclic voltammetry (CV). In redox reaction, reversible capture and release of the counter anion could be monitored by electrochemical QCM (E-QCM).

  7. Photo-dissociation of hydrogen passivated dopants in gallium arsenide

    International Nuclear Information System (INIS)

    Tong, L.; Larsson, J.A.; Nolan, M.; Murtagh, M.; Greer, J.C.; Barbe, M.; Bailly, F.; Chevallier, J.; Silvestre, F.S.; Loridant-Bernard, D.; Constant, E.; Constant, F.M.

    2002-01-01

    A theoretical and experimental study of the photo-dissociation mechanisms of hydrogen passivated n- and p-type dopants in gallium arsenide is presented. The photo-induced dissociation of the Si Ga -H complex has been observed for relatively low photon energies (3.48 eV), whereas the photo-dissociation of C As -H is not observed for photon energies up to 5.58 eV. This fundamental difference in the photo-dissociation behavior between the two dopants is explained in terms of the localized excitation energies about the Si-H and C-H bonds

  8. Dopant density from maximum-minimum capacitance ratio of implanted MOS structures

    International Nuclear Information System (INIS)

    Brews, J.R.

    1982-01-01

    For uniformly doped structures, the ratio of the maximum to the minimum high frequency capacitance determines the dopant ion density per unit volume. Here it is shown that for implanted structures this 'max-min' dopant density estimate depends upon the dose and depth of the implant through the first moment of the depleted portion of the implant. A a result, the 'max-min' estimate of dopant ion density reflects neither the surface dopant density nor the average of the dopant density over the depletion layer. In particular, it is not clear how this dopant ion density estimate is related to the flatband capacitance. (author)

  9. Thermal equilibrium concentration of intrinsic point defects in heavily doped silicon crystals - Theoretical study of formation energy and formation entropy in area of influence of dopant atoms-

    Science.gov (United States)

    Kobayashi, K.; Yamaoka, S.; Sueoka, K.; Vanhellemont, J.

    2017-09-01

    It is well known that p-type, neutral and n-type dopants affect the intrinsic point defect (vacancy V and self-interstitial I) behavior in single crystal Si. By the interaction with V and/or I, (1) growing Si crystals become more V- or I-rich, (2) oxygen precipitation is enhanced or retarded, and (3) dopant diffusion is enhanced or retarded, depending on the type and concentration of dopant atoms. Since these interactions affect a wide range of Si properties ranging from as-grown crystal quality to LSI performance, numerical simulations are used to predict and to control the behavior of both dopant atoms and intrinsic point defects. In most cases, the thermal equilibrium concentrations of dopant-point defect pairs are evaluated using the mass action law by taking only the binding energy of closest pair to each other into account. The impacts of dopant atoms on the formation of V and I more distant than 1st neighbor and on the change of formation entropy are usually neglected. In this study, we have evaluated the thermal equilibrium concentrations of intrinsic point defects in heavily doped Si crystals. Density functional theory (DFT) calculations were performed to obtain the formation energy (Ef) of the uncharged V and I at all sites in a 64-atom supercell around a substitutional p-type (B, Ga, In, and Tl), neutral (C, Ge, and Sn) and n-type (P, As, and Sb) dopant atom. The formation (vibration) entropies (Sf) of free I, V and I, V at 1st neighboring site from B, C, Sn, P and As atoms were also calculated with the linear response method. The dependences of the thermal equilibrium concentrations of trapped and total intrinsic point defects (sum of free I or V and I or V trapped with dopant atoms) on the concentrations of B, C, Sn, P and As in Si were obtained. Furthermore, the present evaluations well explain the experimental results of the so-called ;Voronkov criterion; in B and C doped Si, and also the observed dopant dependent void sizes in P and As doped Si

  10. Ab initio calculation of chromium oxide containing Ti dopant

    International Nuclear Information System (INIS)

    Maldonado, Frank; Novillo, Corina; Stashans, Arvids

    2012-01-01

    Highlights: ► Microstructure changes in chromium oxide due to the Ti doping. ► Discovery of magnetism in Ti-doped α-Cr 2 O 3 crystal. ► Explanation of the origin of n-type electrical conductivity. ► Detailed analysis of electronic properties and density of states. ► As to authors’ knowledge, Ti-doped crystal is studied for the first time by the DFT. - Abstract: First-principles computations based on the density functional theory within the generalised gradient approximation and introduced intra-atomic interaction term for strongly correlated electrons (DFT + U method) has been used in this work. Ti impurity doping in the α-Cr 2 O 3 crystal has been carried out considering single defect model within the periodic crystalline structure. Atomic displacements, Bader charges on atoms have been computed showing that Ti dopant converts the chemical bonding in its neighbourhood into more ionic one. The defect-local microstructure is such as there exist general tendency of atomic rearrangements away with respect to the Ti imperfection. It is found that defect incorporation produces some local changes upon the band structure of the material and also induces a metallic state. That implies n-type electrical conductivity in the Ti-doped α-Cr 2 O 3 crystals and relates our work directly to a number of experimental studies in this area. Our results provide evidence over change in magnetic moments in the vicinity of defect, which means that the chromium oxide doped with Ti impurity might not act as an antiferromagnetic substance.

  11. Ab initio calculation of chromium oxide containing Ti dopant

    Energy Technology Data Exchange (ETDEWEB)

    Maldonado, Frank [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Novillo, Corina [Escuela de Ingenieria Quimica, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Stashans, Arvids, E-mail: arvids@utpl.edu.ec [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

    2012-01-17

    Highlights: Black-Right-Pointing-Pointer Microstructure changes in chromium oxide due to the Ti doping. Black-Right-Pointing-Pointer Discovery of magnetism in Ti-doped {alpha}-Cr{sub 2}O{sub 3} crystal. Black-Right-Pointing-Pointer Explanation of the origin of n-type electrical conductivity. Black-Right-Pointing-Pointer Detailed analysis of electronic properties and density of states. Black-Right-Pointing-Pointer As to authors' knowledge, Ti-doped crystal is studied for the first time by the DFT. - Abstract: First-principles computations based on the density functional theory within the generalised gradient approximation and introduced intra-atomic interaction term for strongly correlated electrons (DFT + U method) has been used in this work. Ti impurity doping in the {alpha}-Cr{sub 2}O{sub 3} crystal has been carried out considering single defect model within the periodic crystalline structure. Atomic displacements, Bader charges on atoms have been computed showing that Ti dopant converts the chemical bonding in its neighbourhood into more ionic one. The defect-local microstructure is such as there exist general tendency of atomic rearrangements away with respect to the Ti imperfection. It is found that defect incorporation produces some local changes upon the band structure of the material and also induces a metallic state. That implies n-type electrical conductivity in the Ti-doped {alpha}-Cr{sub 2}O{sub 3} crystals and relates our work directly to a number of experimental studies in this area. Our results provide evidence over change in magnetic moments in the vicinity of defect, which means that the chromium oxide doped with Ti impurity might not act as an antiferromagnetic substance.

  12. Effect of substrate type, dopant and thermal treatment on ...

    Indian Academy of Sciences (India)

    Effect of substrate type, dopant and thermal treatment on physicochemical properties of TiO2–SnO2 sol–gel films. I STAMBOLOVA. ∗. , V BLASKOV, S VASSILEV†, M SHIPOCHKA and A LOUKANOV‡. Institute of General and Inorganic Chemistry, †Institute of Electrochemistry and Energy Systems, BAS,. Acad. G. Bonchev ...

  13. A helical naphthopyran dopant for photoresponsive cholesteric liquid crystals

    OpenAIRE

    Kim, Yuna; Frigoli, Michel; Vanthuyne, Nicolas; Tamaoki, Nobuyuki

    2017-01-01

    The first photoresponsive cholesteric liquid crystal comprising a photoisomerizable helical naphthopyran derivative dopant and a nematic liquid crystal is reported. An unprecedented helical twisting power switching ratio of over 90% allowed us to demonstrate multi-cycle rotational motion of micro-objects by UV light irradiation.

  14. Phosphorus {delta}-doped silicon: mixed-atom pseudopotentials and dopant disorder effects

    Energy Technology Data Exchange (ETDEWEB)

    Carter, Damien J; Marks, Nigel A [Nanochemistry Research Institute, Curtin University, PO Box U1987, Perth WA 6845 (Australia); Warschkow, Oliver; McKenzie, David R, E-mail: d.carter@curtin.edu.au [Centre for Quantum Computer Technology, School of Physics, University of Sydney, Sydney, NSW 2006 (Australia)

    2011-02-11

    Within a full density functional theory framework we calculate the band structure and doping potential for phosphorus {delta}-doped silicon. We compare two different representations of the dopant plane; pseudo-atoms in which the nuclear charge is fractional between silicon and phosphorus, and explicit arrangements employing distinct silicon and phosphorus atoms. While the pseudo-atom approach offers several computational advantages, the explicit model calculations differ in a number of key points, including the valley splitting, the Fermi level and the width of the doping potential. These findings have implications for parameters used in device modelling.

  15. Shallow dopants in nanostructered and in isotopically engineered silicon

    Energy Technology Data Exchange (ETDEWEB)

    Stegner, Andre Rainer

    2011-01-15

    This work addressed two major topics. The first part was dedicated to the investigation of the doping properties of Si nanostructures. There, we have reported our results on Si nanoparticles with particular focus on questions concerning the atomic incorporation efficiency of dopants, their compensation by surface defects, and the change of their localization due to confinement effects. In the second part of this thesis, we have addressed several open questions concerning the spin properties of shallow acceptor states in bulk Si crystals with different isotope compositions. As far as the first part is concerned, ESR and SIMS have been used to quantitatively investigate the P doping efficiency and the interrelationship of Si-db states and P doping in freestanding Si-NCs over a wide range of diameters. Two types of Si-db defect states, the P{sub b} center and the D center, were identified, where the P{sub b} centers are found at concentrations comparable to bulk Si/SiO{sub 2} interfaces. Moreover, the incorporation of P donors and B acceptors in amorphous Si nanoparticles was demonstrated via ESR. Employing EDMR, we investigated the spin-dependent transport through Si-NC networks. The selectivity and the high sensitivity of EDMR enabled the observation of isolated neutral donor states, which exhibit a characteristic hyperfine splitting in samples with very small diameters. This opened up a possibility for the direct study of the properties of the donor wave function in Si-NCs. To this end, we have used the hyperfine splitting as a spectroscopic measure to monitor the localization of donor wave functions when going from the bulk to the nanoscale. As far as the spin properties of shallow acceptors in Si are concerned, we have addressed a number of fundamental questions concerning the line shape, the magnitude of the residual broadening and the substructure of the boron resonances observed in low-temperature EPR experiments. Performing EPR measurements on different

  16. Ionization of EPA contaminants in direct and dopant-assisted atmospheric pressure photoionization and atmospheric pressure laser ionization.

    Science.gov (United States)

    Kauppila, Tiina J; Kersten, Hendrik; Benter, Thorsten

    2015-06-01

    Seventy-seven EPA priority environmental pollutants were analyzed using gas chromatography-mass spectrometry (GC-MS) equipped with an optimized atmospheric pressure photoionization (APPI) and an atmospheric pressure laser ionization (APLI) interface with and without dopants. The analyzed compounds included e.g., polycyclic aromatic hydrocarbons (PAHs), nitro compounds, halogenated compounds, aromatic compounds with phenolic, acidic, alcohol, and amino groups, phthalate and adipatic esters, and aliphatic ethers. Toluene, anisole, chlorobenzene, and acetone were tested as dopants. The widest range of analytes was ionized using direct APPI (66/77 compounds). The introduction of dopants decreased the amount of compounds ionized in APPI (e.g., 54/77 with toluene), but in many cases the ionization efficiency increased. While in direct APPI the formation of molecular ions via photoionization was the main ionization reaction, dopant-assisted (DA) APPI promoted ionization reactions, such as charge exchange and proton transfer. Direct APLI ionized a much smaller amount of compounds than APPI (41/77 compounds), showing selectivity towards compounds with low ionization energies (IEs) and long-lived resonantly excited intermediate states. DA-APLI, however, was able to ionize a higher amount of compounds (e.g. 51/77 with toluene), as the ionization took place entirely through dopant-assisted ion/molecule reactions similar to those in DA-APPI. Best ionization efficiency in APPI and APLI (both direct and DA) was obtained for PAHs and aromatics with O- and N-functionalities, whereas nitro compounds and aliphatic ethers were the most difficult to ionize. Halogenated aromatics and esters were (mainly) ionized in APPI, but not in APLI.

  17. Computational Study of Nb-Doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport, and Catalytic Properties

    DEFF Research Database (Denmark)

    Fu, Qiang; Halck, Niels Bendtsen; Hansen, Heine Anton

    2017-01-01

    functional theory and non equilibrium Green's function study, we investigate the Nb segregation at Pt/NTO interfaces under operational electrochemical conditions, and reveal the resulting effects on the electronic transport, as well as the catalytic properties. We find that the Nb dopants tend to aggregate......Carbon black, a state-of-the-art cathode material for proton exchange membrane fuel cells (PEMFCs), suffers from severe corrosion in practical applications. Niobium-doped tin dioxide (NTO) is a promising alternative to support the Pt catalysts at the cathodes. Here, through a combined density....... The electronic conductivities of the Pt/NTO systems are not particularly sensitive to the distance of the Nb dopants relative to the interface, but depend explicitly on the Nb concentration and configuration. Through a dopant induced ligand effect, the NTO substrates can improve the catalytic activity of the Pt...

  18. Two opposite hysteresis curves in semiconductors with mobile dopants

    OpenAIRE

    Lee, Jae Sung; Lee, Shin Buhm; Kahng, Byungnam; Noh, Tae Won

    2012-01-01

    Recent experimental researches on semiconductors with mobile dopants (SMD) have reported unconventional hysteretic current-voltage (I-V) curves, which form dynamically in either one of the two opposite directions, the counter-figure-eight and figure-eight ways. However the fundamental theory for the formation of the two directions is still absent, and this poses a major barrier for researches oriented to applications. Here, we introduce a theoretical model to explain the origin of the two dir...

  19. Controlling energy transfer between multiple dopants within a single nanoparticle

    Science.gov (United States)

    DiMaio, Jeffrey R.; Sabatier, Clément; Kokuoz, Baris; Ballato, John

    2008-01-01

    Complex core-shell architectures are implemented within LaF3 nanoparticles to allow for a tailored degree of energy transfer (ET) between different rare earth dopants. By constraining specific dopants to individual shells, their relative distance to one another can be carefully controlled. Core-shell LaF3 nanoparticles doped with Tb3+ and Eu3+ and consisting of up to four layers were synthesized with an outer diameter of ≈10 nm. It is found that by varying the thicknesses of an undoped layer between a Tb3+-doped layer and a Eu3+-doped layer, the degree of ET can be engineered to allow for zero, partial, or total ET from a donor ion to an acceptor ion. More specifically, the ratio of the intensities of the 541-nm Tb3+ and 590 nm Eu3+ peaks was tailored from core-shell configuration that restricts ET is used. Beyond simply controlling ET, which can be limiting when designing materials for optical applications, this approach can be used to obtain truly engineered spectral features from nanoparticles and composites made from them. Further, it allows for a single excitation source to yield multiple discrete emissions from numerous lanthanide dopants that heretofore would have been quenched in a more conventional active optical material. PMID:18250307

  20. Microwave modulation characteristics of twisted liquid crystals with chiral dopant

    Directory of Open Access Journals (Sweden)

    Rui Yuan

    2017-01-01

    Full Text Available Adding a chiral dopant in twisted nematic (TN liquid crystal cell can stabilize the orientation of liquid crystal molecules, particularly in high TN (HTN or super TN (STN liquid crystal cells. The difference in pitches in liquid crystal is induced by the chiral dopant, and these different pitches affect the orientation of liquid crystal director under an external applied voltage and influence the characteristics of microwave modulation. To illustrate this point, the microwave phase shift per unit length (MPSL versus voltage is calculated on the basis of the elastic theory of liquid crystal and the finite-difference iterative method. Enhancing the pitch induced by the chiral dopant in liquid crystal increases the MPSLs, but the stability of the twisted structures is decreased. Thus, appropriate pitches of 100d, 4d, and 2d can be applied in TN, HTN, and STN cells with cell gap d to enhance the characteristics of microwave modulation and stabilize the structures in twisted cell. This method can improve the characteristics of liquid crystal microwave modulators such that the operating voltage and the size of such phase shifters can be decreased.

  1. Molecular Electrical Doping of Organic Semiconductors: Fundamental Mechanisms and Emerging Dopant Design Rules.

    Science.gov (United States)

    Salzmann, Ingo; Heimel, Georg; Oehzelt, Martin; Winkler, Stefanie; Koch, Norbert

    2016-03-15

    -Dirac occupation of which ultimately determines the doping efficiency, thus emerges as key challenge. As a first step, the formation of charge transfer complexes is identified as being detrimental to the doping efficiency, which suggests sterically shielding the functional core of dopant molecules as an additional design rule to complement the requirement of low ionization energies or high electron affinities in efficient n-type or p-type dopants, respectively. In an extended outlook, we finally argue that, to fully meet this challenge, an improved understanding is required of just how the admixture of dopant molecules to organic semiconductors does affect the density of states: compared with their inorganic counterparts, traps for charge carriers are omnipresent in organic semiconductors due to structural and chemical imperfections, and Coulomb attraction between ionized dopants and free charge carriers is typically stronger in organic semiconductors owing to their lower dielectric constant. Nevertheless, encouraging progress is being made toward developing a unifying picture that captures the entire range of doping induced phenomena, from ion-pair to complex formation, in both conjugated polymers and molecules. Once completed, such a picture will provide viable guidelines for synthetic and supramolecular chemistry that will enable further technological advances in organic and hybrid organic/inorganic devices.

  2. Atom-probe for FinFET dopant characterization

    Energy Technology Data Exchange (ETDEWEB)

    Kambham, A.K., E-mail: kambham@imec.be [K.U.Leuven, Instituut voor Kern-en Stralings fysika, Celestijnenlaan 200D, B-3001, Leuven (Belgium); IMEC, Kapeldreef 75, B-3001 Leuven (Belgium); Mody, J.; Gilbert, M.; Koelling, S.; Vandervorst, W. [K.U.Leuven, Instituut voor Kern-en Stralings fysika, Celestijnenlaan 200D, B-3001, Leuven (Belgium); IMEC, Kapeldreef 75, B-3001 Leuven (Belgium)

    2011-05-15

    With the continuous shrinking of transistors and advent of new transistor architectures to keep in pace with Moore's law and ITRS goals, there is a rising interest in multigate 3D-devices like FinFETs where the channel is surrounded by gates on multiple surfaces. The performance of these devices depends on the dimensions and the spatial distribution of dopants in source/drain regions of the device. As a result there is a need for new metrology approach/technique to characterize quantitatively the dopant distribution in these devices with nanometer precision in 3D. In recent years, atom probe tomography (APT) has shown its ability to analyze semiconductor and thin insulator materials effectively with sub-nm resolution in 3D. In this paper we will discuss the methodology used to study FinFET-based structures using APT. Whereas challenges and solutions for sample preparation linked to the limited fin dimensions already have been reported before, we report here an approach to prepare fin structures for APT, which based on their processing history (trenches filled with Si) are in principle invisible in FIB and SEM. Hence alternative solutions in locating and positioning them on the APT-tip are presented. We also report on the use of the atom probe results on FinFETs to understand the role of different dopant implantation angles (10{sup o} and 45{sup o}) when attempting conformal doping of FinFETs and provide a quantitative comparison with alternative approaches such as 1D secondary ion mass spectrometry (SIMS) and theoretical model values. -- Research highlights: {yields} This paper provides the information on how to characterize the FinFET devices using atom probe tomography (APT). {yields} Importance of this work is to assess the performance of these devices at different processing conditions by extracting the compositional profiles. {yields} The performance of these devices depends on the dimensions and the spatial distribution of dopants in source/drain regions

  3. Atom-probe for FinFET dopant characterization

    International Nuclear Information System (INIS)

    Kambham, A.K.; Mody, J.; Gilbert, M.; Koelling, S.; Vandervorst, W.

    2011-01-01

    With the continuous shrinking of transistors and advent of new transistor architectures to keep in pace with Moore's law and ITRS goals, there is a rising interest in multigate 3D-devices like FinFETs where the channel is surrounded by gates on multiple surfaces. The performance of these devices depends on the dimensions and the spatial distribution of dopants in source/drain regions of the device. As a result there is a need for new metrology approach/technique to characterize quantitatively the dopant distribution in these devices with nanometer precision in 3D. In recent years, atom probe tomography (APT) has shown its ability to analyze semiconductor and thin insulator materials effectively with sub-nm resolution in 3D. In this paper we will discuss the methodology used to study FinFET-based structures using APT. Whereas challenges and solutions for sample preparation linked to the limited fin dimensions already have been reported before, we report here an approach to prepare fin structures for APT, which based on their processing history (trenches filled with Si) are in principle invisible in FIB and SEM. Hence alternative solutions in locating and positioning them on the APT-tip are presented. We also report on the use of the atom probe results on FinFETs to understand the role of different dopant implantation angles (10 o and 45 o ) when attempting conformal doping of FinFETs and provide a quantitative comparison with alternative approaches such as 1D secondary ion mass spectrometry (SIMS) and theoretical model values. -- Research highlights: → This paper provides the information on how to characterize the FinFET devices using atom probe tomography (APT). → Importance of this work is to assess the performance of these devices at different processing conditions by extracting the compositional profiles. → The performance of these devices depends on the dimensions and the spatial distribution of dopants in source/drain regions. → In this publication we

  4. Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes.

    Science.gov (United States)

    Zeng, ZhenHua; Björketun, Mårten E; Ebbesen, Sune; Mogensen, Mogens B; Rossmeisl, Jan

    2013-05-14

    The mechanisms governing the sulfur poisoning of the triple phase boundary (TPB) of Ni-XSZ (X2O3 stabilized zirconia) anodes have been investigated using density functional theory. The calculated sulfur adsorption energies reveal a clear correlation between the size of the cation dopant X(3+) and the sulfur tolerance of the Ni-XSZ anode; the smaller the ionic radius, the higher the sulfur tolerance. The mechanistic study shows that the size of X(3+) strongly influences XSZ's surface energy, which in turn determines the adhesion of Ni to XSZ. The Ni-XSZ interaction has a direct impact on the Ni-S interaction and on the relative stability of reconstructed and pristine Ni(100) facets at the TPB. Together, these two effects control the sulfur adsorption on the Ni atoms at the TPB. The established relationships explain experimentally observed dopant-dependent anode performances and provide a blueprint for the future search for and preparation of highly sulfur tolerant anodes.

  5. Dynamics of δ-dopant redistribution during heterostructure growth

    Science.gov (United States)

    Pankratov, E. L.

    2007-06-01

    It has recently been shown that growth of a multilayer structure with one or more delta-layers at high temperature leads to spreading and asymmetrization of the dopant distribution [see, for example, E.F.J. Schubert, Vac. Sci. Technol. A. 8, 2980 (1990), A.M. Nazmul, S. Sugahara, M. Tanaka, J. Crystal Growth 251, 303 (2003); R.C. Newman, M.J. Ashwin, M.R. Fahy, L. Hart, S.N. Holmes, C. Roberts, X. Zhang, Phys. Rev. B 54, 8769 (1996); E.F. Schubert, J.M. Kuo, R.F. Kopf, H.S. Luftman, L.C. Hopkins, N.J. Sauer, J. Appl. Phys. 67, 1969 (1990); P.M. Zagwijn, J.F. van der Veen, E. Vlieg, A.H. Reader, D.J. Gravesteijn, J. Appl. Phys. 78, 4933 (1995); W.S. Hobson, S.J. Pearton, E.F. Schubert, G. Cabaniss, Appl. Phys. Lett. 55, 1546 (1989); Delta Doping of Semiconductors, edited by E.F. Schubert (Cambridge University Press, Cambridge, 1996); Yu.N. Drozdov, N.B. Baidus', B.N. Zvonkov, M.N. Drozdov, O.I. Khrykin, V.I. Shashkin, Semiconductors 37, 194 (2003); E. Skuras, A.R. Long, B. Vogele, M.C. Holland, C.R. Stanley, E.A. Johnson, M. van der Burgt, H. Yaguchi, J. Singleton, Phys. Rev. B 59, 10712 (1999); G. Li, C. Jagadish, Solid-State Electronics 41, 1207 (1997)]. In this work analytical and numerical analysis of dopant dynamics in a delta-doped area of a multilayer structure has been accomplished using Fick's second law. Some reasons for asymmetrization of a delta-dopant distribution are illustrated. The spreading of a delta-layer has been estimated using example materials of a multilayer structure, a delta-layer and an overlayer.

  6. Synthesis and characterization of the polyaniline dopant Schiff base

    Directory of Open Access Journals (Sweden)

    Mirian Y. Matsumoto

    2012-06-01

    Full Text Available The Schiff base, N-salicilidenoanilina was used as dopant to induce polymerization of aniline and thus preparing polyaniline (PAni. The different conditions of preparation, including Schiff base structure, and the dosage of acidity reaction medium, were investigated to discuss the influence of these conditions relative conductivity of the resulting samples. The products were also characterized by Fourier transform infrared (FTIR, ultraviolet-visible (UV-Vis, electrochemical impedance spectroscopy (EIE. The results showed the synthesis conditions play an important in the formation and the final properties of the polyaniline

  7. A survey of acceptor dopants for β-Ga2O3

    Science.gov (United States)

    Lyons, John L.

    2018-05-01

    With a wide band gap, high critical breakdown voltage and commercially available substrates, Ga2O3 is a promising material for next-generation power electronics. Like most wide-band-gap semiconductors, obtaining better control over its electrical conductivity is critically important, but has proven difficult to achieve. Although efficient p-type doping in Ga2O3 is not expected, since theory and experiment indicate the self-trapping of holes, the full development of this material will require a better understanding of acceptor dopants. Here the properties of group 2, group 5 and group 12 acceptor impurities in β-Ga2O3 are explored using hybrid density functional calculations. All impurities are found to exhibit acceptor transition levels above 1.3 eV. After examining formation energies as a function of chemical potential, Mg (followed closely by Be) is determined to be the most stable acceptor species.

  8. Valence and atomic size dependent exchange barriers in vacancy-mediated dopant diffusion

    International Nuclear Information System (INIS)

    Nelson, J.S.; Schultz, P.A.; Wright, A.F.

    1998-01-01

    First-principles pseudopotential calculations of dopant-vacancy exchange barriers indicate a strong dependency on dopant valence and atomic size, in contrast to current models of vacancy-mediated dopant diffusion. First-row elements (B, C, N) are found to have exchange barriers which are an order of magnitude larger than the assumed value of 0.3 eV (the Si vacancy migration energy). copyright 1998 American Institute of Physics

  9. Dopant redistribution and electrical activation in silicon following ultra-low energy boron implantation and excimer laser annealing

    International Nuclear Information System (INIS)

    Whelan, S.; La Magna, A.; Privitera, V.; Mannino, G.; Italia, M.; Bongiorno, C.; Fortunato, G.; Mariucci, L.

    2003-01-01

    Excimer laser annealing (ELA) of ultra-low-energy (ULE) B-ion implanted Si has been performed. High-resolution transmission electron microscopy has been used to assess the as-implanted damage and the crystal recovery following ELA. The electrical activation and redistribution of B in Si during ELA has been investigated as a function of the laser energy density (melted depth), the implant dose, and the number of laser pulses (melt time). The activated and retained dose has been evaluated with spreading resistance profiling and secondary ion mass spectrometry. A significant amount of the implanted dopant was lost from the sample during ELA. However, the dopant that was retained in crystal material was fully activated following rapid resolidification. At an atomic concentration below the thermodynamic limit, the activation efficiency (dose activated/dose implanted into Si material) was a constant for a fixed melt depth, irrespective of the dose implanted and hence the total activated dose was raised as the implant dose was increased. The electrical activation was increased for high laser energy density annealing when the dopant was redistributed over a deeper range

  10. Tuning Nanocrystal Surface Depletion by Controlling Dopant Distribution as a Route Toward Enhanced Film Conductivity

    Science.gov (United States)

    Staller, Corey M.; Robinson, Zachary L.; Agrawal, Ankit; Gibbs, Stephen L.; Greenberg, Benjamin L.; Lounis, Sebastien D.; Kortshagen, Uwe R.; Milliron, Delia J.

    2018-05-01

    Electron conduction through bare metal oxide nanocrystal (NC) films is hindered by surface depletion regions resulting from the presence of surface states. We control the radial dopant distribution in tin-doped indium oxide (ITO) NCs as a means to manipulate the NC depletion width. We find in films of ITO NCs of equal overall dopant concentration that those with dopant-enriched surfaces show decreased depletion width and increased conductivity. Variable temperature conductivity data shows electron localization length increases and associated depletion width decreases monotonically with increased density of dopants near the NC surface. We calculate band profiles for NCs of differing radial dopant distributions and, in agreement with variable temperature conductivity fits, find NCs with dopant-enriched surfaces have narrower depletion widths and longer localization lengths than those with dopant-enriched cores. Following amelioration of NC surface depletion by atomic layer deposition of alumina, all films of equal overall dopant concentration have similar conductivity. Variable temperature conductivity measurements on alumina-capped films indicate all films behave as granular metals. Herein, we conclude that dopant-enriched surfaces decrease the near-surface depletion region, which directly increases the electron localization length and conductivity of NC films.

  11. Understanding and controlling transient enhanced dopant diffusion in silicon

    International Nuclear Information System (INIS)

    Stolk, P.A.; Gossmann, H.J.; Eaglesham, D.J.; Jacobson, D.C.; Poate, J.M.; Luftman, H.S.

    1995-01-01

    Implanted B and P dopants in Si exhibit transient enhanced diffusion (TED) during initial annealing which arises from the excess interstitials generated by the implant. In order to study the mechanisms of TED, the authors have used B doping marker layers in Si to probe the injection of interstitials from near-surface, non-amorphizing Si implants during annealing. The in-diffusion of interstitials is limited by trapping at impurities and has an activation energy of ∼3.5 eV. Substitutional C is the dominant trapping center with a binding energy of 2--2.5 eV. The high interstitial supersaturation adjacent to the implant damage drives substitutional B into metastable clusters at concentrations below the B solid solubility limit. Transmission electron microscopy shows that the interstitials driving TED are emitted from {311} defect clusters in the damage region at a rate which also exhibits an activation energy of 3.6 eV. The population of excess interstitials is strongly reduced by incorporating substitutional C in Si to levels of ∼10 19 /cm 3 prior to ion implantation. This provides a promising method for suppressing TED, thus enabling shallow junction formation in future Si devices through dopant implantation

  12. Metalorganic chemical vapor deposition of ZnO:N using NO as dopant

    International Nuclear Information System (INIS)

    Dangbegnon, J.K.; Talla, K.; Roro, K.T.; Botha, J.R.

    2009-01-01

    Highly c-axis orientated ZnO was grown by metal organic chemical vapor deposition (MOCVD) using NO as both oxidant and nitrogen dopant source. The properties of the deposited material are investigated by X-ray diffraction to study the crystalline quality of the thin films. Photoluminescence measurements are used to determine the optical properties of the material as a function of VI/II ratio and post growth-annealing temperature. Two transitions appear at 3.228 and 3.156 eV and are interpreted as involving active nitrogen acceptors. An increase in the NO flow increases the concentration of nitrogen in the films, which are activated by subsequent annealing at 600 deg. C in an oxygen ambient.

  13. Metalorganic chemical vapor deposition of ZnO:N using NO as dopant

    Energy Technology Data Exchange (ETDEWEB)

    Dangbegnon, J.K., E-mail: JulienKouadio.Dangbegnon@nmmu.ac.z [Department of Physics, PO Box 77000, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Talla, K.; Roro, K.T.; Botha, J.R. [Department of Physics, PO Box 77000, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa)

    2009-12-01

    Highly c-axis orientated ZnO was grown by metal organic chemical vapor deposition (MOCVD) using NO as both oxidant and nitrogen dopant source. The properties of the deposited material are investigated by X-ray diffraction to study the crystalline quality of the thin films. Photoluminescence measurements are used to determine the optical properties of the material as a function of VI/II ratio and post growth-annealing temperature. Two transitions appear at 3.228 and 3.156 eV and are interpreted as involving active nitrogen acceptors. An increase in the NO flow increases the concentration of nitrogen in the films, which are activated by subsequent annealing at 600 deg. C in an oxygen ambient.

  14. Operation and scalability of dopant-segregated Schottky barrier MOSFETs with recessed channels

    International Nuclear Information System (INIS)

    Shih, Chun-Hsing; Hsia, Jui-Kai

    2013-01-01

    Recessed channels were used in scaled dopant-segregated Schottky barrier MOSFETs (DS-SBMOS) to control the severe short-channel effect. The physical operation and device scalability of the DS-SBMOS resulting from the presence of recessed channels and associated gate-corners are elucidated. The coupling of Schottky and gate-corner barriers has a key function in determining the on–off switching and drain current. The gate-corner barriers divide the channel into three regions for protection from the drain penetration field. To prevent resistive degradations in the drive current, an alternative asymmetric recessed channel (ARC) without a source-side gate-corner is proposed to simultaneously optimize both the short-channel effect and drive current in the scaled DS-SBMOS. By employing the proposed ARC architecture, the DS-SBMOS devices can be successfully scaled down, making them promising candidates for next-generation CMOS devices. (paper)

  15. Local structure investigation of Ga and Yb dopants in Co4Sb12 skutterudites

    Science.gov (United States)

    Hu, Yanyun; Chen, Ning; Clancy, J. P.; Salvador, James R.; Kim, Chang-Yong; Shi, Xiaoya; Li, Qiang; Kim, Young-June

    2017-12-01

    We report comprehensive x-ray absorption spectroscopy studies at both the Ga K edge and Yb L2 edge to elucidate the local structure of Ga and Yb dopants in YbxGayCo4Sb12 . Our extended x-ray absorption fine structure (EXAFS) data confirm that Ga atoms occupy two crystallographic sites: one is the 24 g site replacing Sb, and the other is the 2 a site in the off-center void position. We find that the occupancy ratio of these two sites varies significantly as a function of the filling fraction of additional Yb, which exclusively occupies the 2 a on-center site. At low concentrations of Yb, Ga24 g and Ga2 a dopants coexist and they form a charge-compensated compound defect proposed by Qiu et al. [Adv. Funct. Mater. 23, 3194 (2013), 10.1002/adfm.201202571]. The Ga24 g occupancy increases gradually with increasing Yb concentration, and almost all Ga occupies the 24 g site for the highest Yb concentration studied (x =0.4 ). In addition to the local structural evidence provided by our EXAFS data, we also present x-ray absorption near-edge structure (XANES) spectra, which show a small Ga K -edge energy shift as a function of Yb concentration consistent with the change from predominantly Ga2 a to Ga24 g states. Our result suggests that the increased solubility of Yb in Yb-Ga co-doped Co4Sb12 skutterudites is due to the increased Ga24 g electron acceptor, and thus provides an important strategy to optimize the carrier concentration in partially filled skutterudites.

  16. A β-cyclodextrin based binary dopant for polyaniline: Structural, thermal, electrical, and sensing performance

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Tanushree; Mishra, Satyendra [University Institute of Chemical Technology, North Maharashtra University, Jalgaon 425001, Maharashtra (India); Shimpi, Navinchandra G., E-mail: navin_shimpi@rediffmail.com [Department of Chemistry, University of Mumbai, Kalina, Mumbai 400098, Maharashtra (India)

    2017-06-15

    Highlights: • A binary dopant based on β-cyclodextrin has been proposed for PANI. • The binary dopant provided long term stability to electrically conducting PANI. • The β-cyclodextrin based binary dopant rendered PANI sensitive towards CO at RT. - Abstract: The effect of hydrochloric acid/β-cyclodextrin (HCl/β-CD) binary dopant on the morphological, thermal, electrical, and sensing properties of PANI was investigated and compared with those of the conventionally doped PANI. The PANI samples were characterized using FTIR, UV–Vis, {sup 1}H NMR, and FESEM. Significant changes were observed in the structural, thermal, and electrical character of PANI doped with the HCl/β-CD binary dopant. A higher doping level was obtained for the PANI-binary dopant system, as observed from its {sup 1}H NMR spectra. Moreover, the binary dopant imparted long-term stability to the sensor in its conductive form. In addition, the PANI-binary dopant system exhibited a significantly high gas response towards carbon monoxide gas at room temperature.

  17. Manipulation and analysis of a single dopant atom in GaAs

    NARCIS (Netherlands)

    Wijnheijmer, A.P.

    2011-01-01

    This thesis focuses on the manipulation and analysis of single dopant atoms in GaAs by scanning tunneling microscopy (STM) and spectroscopy (STS) at low temperatures. The observation of ionization rings is one of the key results, showing that we can control the charge state of a single dopant atom

  18. Using Dopants to Tune Oxygen Vacancy Formation in Transition Metal Oxide Resistive Memory.

    Science.gov (United States)

    Jiang, Hao; Stewart, Derek A

    2017-05-17

    Introducing dopants is an important way to tailor and improve electronic properties of transition metal oxides used as high-k dielectric thin films and resistance switching layers in leading memory technologies, such as dynamic and resistive random access memory (ReRAM). Ta 2 O 5 has recently received increasing interest because Ta 2 O 5 -based ReRAM demonstrates high switching speed, long endurance, and low operating voltage. However, advances in optimizing device characteristics with dopants have been hindered by limited and contradictory experiments in this field. We report on a systematic study on how various metal dopants affect oxygen vacancy formation in crystalline and amorphous Ta 2 O 5 from first principles. We find that isoelectronic dopants and weak n-type dopants have little impact on neutral vacancy formation energy and that p-type dopants can lower the formation energy significantly by introducing holes into the system. In contrast, n-type dopants have a deleterious effect and actually increase the formation energy for charged oxygen vacancies. Given the similar doping trend reported for other binary transition metal oxides, this doping trend should be universally valid for typical binary transition metal oxides. Based on this guideline, we propose that p-type dopants (Al, Hf, Zr, and Ti) can lower the forming/set voltage and improve retention properties of Ta 2 O 5 ReRAM.

  19. Thermodynamic modelling of fast dopant diffusion in Si

    Science.gov (United States)

    Saltas, V.; Chroneos, A.; Vallianatos, F.

    2018-04-01

    In the present study, nickel and copper fast diffusion in silicon is investigated in the framework of the cBΩ thermodynamic model, which connects point defect parameters with the bulk elastic and expansion properties. All the calculated point defect thermodynamic properties (activation Gibbs free energy, activation enthalpy, activation entropy, and activation volume) exhibit temperature dependence due to the non-linear anharmonic behavior of the isothermal bulk modulus of Si. Calculated activation enthalpies (0.15-0.16 eV for Ni and 0.17-0.19 eV for Cu) are in agreement with the reported experimental results. Small values of calculated activation volumes for both dopants (˜4% of the mean atomic volume) are consistent with the interstitial diffusion of Ni and Cu in Si.

  20. The effect of dopants on laser imprint mitigation

    Science.gov (United States)

    Phillips, Lee; Gardner, John H.; Bodner, Stephen E.; Colombant, Denis; Dahlburg, Jill

    1999-11-01

    An intact implosion of a pellet for direct-drive ICF requires that the perturbations imprinted by the laser be kept below some threshold. We report on simulations of targets that incorporate very small concentrations of a high-Z dopant in the ablator, to increase the electron density in the ablating plasma, causing the laser to be absorbed far enough from the solid ablator to achieve a substantial degree of thermal smoothing. These calculations were performed using NRL's FAST radiation hydrodynamics code(J.H. Gardner, A.J. Schmitt, et al., Phys. Plasmas) 5, 1935 (1998), incorporating the flux-corrected transport algorithm and opacities generated by an STA code, with non-LTE radiation transport based on the Busquet method.

  1. Defect and dopant kinetics in laser anneals of Si

    International Nuclear Information System (INIS)

    La Magna, A.; Fisicaro, G.; Mannino, G.; Privitera, V.; Piccitto, G.; Svensson, B.G.; Vines, L.

    2008-01-01

    In this work a modeling approach is applied to investigate the kinetics of the defect-dopant system in the extremely far-from-the equilibrium conditions caused by the laser irradiation in Si. A rigorous derivation of the master equations for the evolution of the defect-impurity system is obtained starting from the Boltzmann's formalism. The model derived is not limited by the stringent hypothesis of instantaneous equilibration of the local system energy to the lattice thermal field. This fact allows: (a) the formalization of a reliable theoretical formalism for the study of evolving defect-impurity systems in a non-uniform fast varying thermal field and (b) the generalization of the kinetic parameters (e.g. diffusivity, clustering rate constants, etc.). Early comparisons between simulations and experimental analysis of the processes are discussed. These results indicate the reliability of the energetic calibration for the self-interstitial clusters derived using conventional thermal processes

  2. Transient enhanced diffusion of dopants in preamorphized Si layers

    International Nuclear Information System (INIS)

    Claverie, A.; Bonafos, C.; Omri, M.; Mauduit, B. de; Ben Assayag, G.; Martinez, A.; Alquier, D.; Mathiot, D.

    1997-01-01

    Transient Enhanced Diffusion (TED) of dopants in Si is the consequence of the evolution, upon annealing, of a large supersaturation of Si self-interstitial atoms left after ion bombardment. In the case of amorphizing implants, this supersaturation is located just beneath the c/a interface and evolves through the nucleation and growth of End-Of-Range (EOR) defects. For this reason, the authors discuss here the relation between TED and EOR defects. Modelling of the behavior of these defects upon annealing allows one to understand why and how they affect dopant diffusion. This is possible through the development of the Ostwald ripening theory applied to extrinsic dislocation loops. This theory is shown to be readily able to quantitatively describe the evolution of the defect population (density, size) upon annealing and gives access to the variations of the mean supersaturation of Si self-interstitial atoms between the loops and responsible for TED. This initial supersaturation is, before annealing, at least 5 decades larger than the equilibrium value and exponentially decays with time upon annealing with activation energies that are the same than the ones observed for TED. It is shown that this time decay is precisely at the origin of the transient enhancement of boron diffusivity through the interstitial component of boron diffusion. Side experiments shed light on the effect of the proximity of a free surface on the thermal behavior of EOR defects and allow us to quantitatively describe the space and time evolutions of boron diffusivity upon annealing of preamorphized Si layers

  3. A theoretical study of dopant atom detection and probe behavior in STEM

    Science.gov (United States)

    Mittal, Anudha

    Very detailed information about the atomic and electronic structure of materials can be obtained via atomic-scale resolution scanning transmission electron microscopy (STEM). These experiments reach the limits of current microscopes, which means that optimal experimental design is a key ingredient in success. The step following experiment, extraction of information from experimental data is also complex. Comprehension of experimental data depends on comparison with simulated data and on fundamental understanding of aspects of scattering behavior. The research projects discussed in this thesis are formulated within three large concepts. 1. Usage of simulation to suggest experimental technique for observation of a particular structural feature.. Two specific structural features are explored. One is the characterization of a substitutional dopant atom in a crystal. Annular dark field scanning transmission electron microscope (ADF-STEM) images allow detection of individual dopant atoms in a crystal based on contrast between intensities of doped and non-doped column in the image. The magnitude of the said contrast is heavily influenced by specimen and microscope parameters. Analysis of multislice-based simulations of ADF-STEM images of crystals doped with one substitutional dopant atom for a wide range of crystal thicknesses, types and locations of dopant atom inside the crystal, and crystals with different atoms revealed trends and non-intuitive behaviors in visibility of the dopant atom. The results provide practical guidelines for the optimal experimental setup regarding both the microscope and specimen conditions in order to characterize the presence and location of a dopant atom. Furthermore, the simulations help in recognizing the cases where detecting a single dopant atom via ADF-STEM imaging is not possible. The second is a more specific case of detecting intrinsic twist in MoS2 nanotubes. Objective molecular dynamics simulations coupled with a density

  4. Sintering of nickel catalysts. Effects of time, atmosphere, temperature, nickel-carrier interactions, and dopants

    Energy Technology Data Exchange (ETDEWEB)

    Sehested, Jens; Gelten, Johannes A.P.; Helveg, Stig [Haldor Topsoee A/S, Nymoellevej 55, DK-2800 Kgs. Lyngby (Denmark)

    2006-08-01

    Supported nickel catalysts are widely used in the steam-reforming process for industrial scale production of hydrogen and synthesis gas. This paper provides a study of sintering in nickel-based catalysts (Ni/Al{sub 2}O{sub 3} and Ni/MgAl{sub 2}O{sub 4}). Specifically the influence of time, temperature, atmosphere, nickel-carrier interactions and dopants on the rate of sintering is considered. To probe the sintering kinetics, all catalysts were analyzed by sulfur chemisorption to determine the Ni surface area. Furthermore selected samples were further analyzed using X-ray diffraction (XRD), mercury porosimetry, BET area measurements, and electron microscopy (EM). The observed sintering rates as a function of time, temperature, and P{sub H{sub 2}O}/P{sub H{sub 2}} ratio were consistent with recent model predictions [J. Sehested, J.A.P. Gelten, I.N. Remediakis, H. Bengaard, J.K. Norskov, J. Catal. 223 (2004) 432] over a broad range of environmental conditions. However, exposing the catalysts to severe sintering conditions the loss of nickel surface area is faster than model predictions and the deviation is attributed to a change in the sintering mechanism and nickel removal by nickel-carrier interactions. Surprisingly, alumina-supported Ni particles grow to sizes larger than the particle size of the carrier indicating that the pore diameter does not represent an upper limit for Ni particle growth. The effects of potassium promotion and sulfur poisoning on the rates of sintering were also investigated. No significant effects of the dopants were observed after ageing at ambient pressure. However, at high pressures of steam and hydrogen (31bar and H{sub 2}O:H{sub 2}=10:1) potassium promotion increased the sintering rate relative to that of the unpromoted catalyst. Sulfur also enhances the rate of sintering at high pressures, but the effect of sulfur is less than for potassium. (author)

  5. Theoretical characterization of a class of orange dopants for white-light-emitting single polymers

    International Nuclear Information System (INIS)

    Hu, Bo; Yao, Chan; Wang, Qingwei; Zhang, Hao; Yu, Jiankang

    2012-01-01

    New single-polymer white electroluminescent systems containing two individual emission species − polyfluorene as a blue host and 2,1,3-benzothiadiazole(BTD) derivative as an orange dopant − have been designed and investigated on the basis of the quantum chemical calculations. Calculations show that the change of chemical composition along the backbone in BTD-based derivative yields modifications to the electronic and optical properties. Furthermore, by introducing electron-donating groups [−CH 3 , –OCH 3 , and –NH 2 ] on terminal N,N-disubstituted amino groups, desirable orange emission can be obtained and may be further combined with polyfluorene to form white light. Also, we estimate the reorganization energies upon cation or anion formation as one of the important parameters of mobility with the charge hopping model to determine whether the molecular structural changes may improve the hole/electron transport. The electrostatic surface potentials are finally taken into account to evaluate stability. -- Graphical abstract: New single-polymer white electroluminescent systems containing two individual emission species − polyfluorene as a blue host and 2,1,3-benzothiadiazole(BTD) derivative as an orange dopant − have been designed and investigated on the basis of the quantum chemical calculations. Highlights: ► The change of chemical composition along the backbone yields modifications to the electronic and optical properties. ► Introducing [–CH 3 , –OCH 3 , and –NH 2 ] on terminal N,N-disubstituted amino groups, desirable orange emission can be obtained. ► Desirable orange emission may be further combined with polyfluorene to form white light. ► Designed BTD-based derivatives can function as good hole or ambipolar transport materials in the OLEDs. ► According to the calculated electrostatic surface potentials, OMC-PZ has better stability than that of OMC-PZT.

  6. Multicomponent mixed dopant optimization for rapid screening of polycyclic aromatic hydrocarbons using ultra high performance liquid chromatography coupled to atmospheric pressure photoionization high-resolution mass spectrometry

    KAUST Repository

    Sioud, Salim; Amad, Maan H.; Al-Talla, Zeyad

    2012-01-01

    with water-soluble organic solvents. In order to achieve a more efficient and less toxic dopant, a multicomponent mixed dopant was explored. METHODS A multicomponent mixed dopant for non-targeted rapid screening of polycyclic aromatic hydrocarbons (PAHs

  7. Three-dimensional analysis of Eu dopant atoms in Ca-α-SiAlON via through-focus HAADF-STEM imaging

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Genki, E-mail: genki@eng.hokudai.ac.jp; Yamaki, Fuuta; Kunisada, Yuji; Sakaguchi, Norihito; Akiyama, Tomohiro

    2017-04-15

    Highlights: • Through-focus HAADF-STEM imaging was studied. • Spatial distribution of Eu atoms in Ca-α-SiAlON was analyzed. • A large convergence semi-angle increased the depth resolution. • The radial distribution function of Eu dopants was analyzed. - Abstract: Three-dimensional (3D) distributional analysis of individual dopant atoms in materials is important to development of optical, electronic, and magnetic materials. In this study, we adopted through-focus high-angle annular dark-field (HAADF) imaging for 3D distributional analysis of Eu dopant atoms in Ca-α-SiAlON phosphors. In this context, the effects of convergence semi-angle and Eu z-position on the HAADF image contrast were investigated. Multi-slice image simulation revealed that the contrast of the dopant site was sensitive to change of the defocus level. When the defocus level matched the depth position of a Eu atom, the contrast intensity was significantly increased. The large convergence semi-angle greatly increased the depth resolution because the electron beam tends spread instead of channeling along the atomic columns. Through-focus HAADF-STEM imaging was used to analyze the Eu atom distribution surrounding 10 nm cubes with defocus steps of 0.68 nm each. The contrast depth profile recorded with a narrow step width clearly analyzed the possible depth positions of Eu atoms. The radial distribution function obtained for the Eu dopants was analyzed using an atomic distribution model that was based on the assumption of random distribution. The result suggested that the Ca concentration did not affect the Eu distribution. The decreased fraction of neighboring Eu atoms along z-direction might be caused by the enhanced short-range Coulomb-like repulsive forces along the z-direction.

  8. A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of {alpha}-tetrathiophene

    Energy Technology Data Exchange (ETDEWEB)

    Aleman, Carlos [Departament d' Enginyeria Quimica, E.T.S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.es; Oliver, Ramon [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain); Brillas, Enric [Departament de Quimica Fisica, Facultat de Quimica, Universitat de Barcelona, Marti i Franques 1, Barcelona E-08028 (Spain); Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No. 69, Lleida E-25001 (Spain); Estrany, Francesc [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain)], E-mail: francesc.estrany@upc.es

    2005-07-18

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene. Adherent, insoluble, and black polymeric films were obtained in the presence of LiClO{sub 4}, while no evidence about the formation of polymer was detected with LiCl and LiBr electrolytes. On the other hand, quantum mechanical calculations based on the density functional theory were performed on 1:1 charge-transfer complexes formed by {alpha}-tetrathiophene and X = ClO{sub 4}, Cl or Br. The consistency between experimental and theoretical results is discussed.

  9. A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of α-tetrathiophene

    International Nuclear Information System (INIS)

    Aleman, Carlos; Oliver, Ramon; Brillas, Enric; Casanovas, Jordi; Estrany, Francesc

    2005-01-01

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. Adherent, insoluble, and black polymeric films were obtained in the presence of LiClO 4 , while no evidence about the formation of polymer was detected with LiCl and LiBr electrolytes. On the other hand, quantum mechanical calculations based on the density functional theory were performed on 1:1 charge-transfer complexes formed by α-tetrathiophene and X = ClO 4 , Cl or Br. The consistency between experimental and theoretical results is discussed

  10. Boron, arsenic and phosphorus dopant incorporation during low temperature low pressure silicon epitaxial growth

    International Nuclear Information System (INIS)

    Borland, J.O.; Thompson, T.; Tagle, V.; Benzing, W.

    1987-01-01

    Submicron silicon epitaxial structures with very abrupt epi/substrate transition widths have been realized through the use of low temperature silicon epitaxial growth techniques. At these low temperature and low pressure epitaxial growth conditions there is minimal, if any, dopant diffusion from the substrate into the epilayer during deposition. The reincorporation of autodoped dopant as well as the incorporation of intentional dopant can be a trade-off at low temperatures and low pressures. For advanced CMOS and Bi-CMOS technologies, five to six orders of magnitude change in concentration levels are desirable. In this investigation, all of the epitaxial depositions were carried out in an AMC-7810 epi-reactor with standard jets for a turbulent mixing system, and using a modified center inject configuration to achieve a single pass laminar flow system. To simulate the reincorporation of various autodoped dopant, the authors ran a controlled dopant flow of 100 sccm for each of the three dopants (boron, phosphorus and arsenic) to achieve the controlled background dopant level in the reactor gas stream

  11. Ion Pairing in Aqueous Lithium Salt Solutions with Monovalent and Divalent Counter-Anions

    Czech Academy of Sciences Publication Activity Database

    Pluhařová, Eva; Mason, Philip E.; Jungwirth, Pavel

    2013-01-01

    Roč. 117, č. 46 (2013), s. 11766-11773 ISSN 1089-5639 R&D Projects: GA MŠk LH12001 Grant - others:MŠMT(CZ) LM2010005 Institutional support: RVO:61388963 Keywords : lithium * aqueous solution * neutron scattering * molecular dynamics * polarizability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.775, year: 2013

  12. Fenton-like Degradation of MTBE: Effects of Iron Counter Anion and Radical Scavengers

    Science.gov (United States)

    Fenton-driven oxidation of Methyl tert-butyl ether (MTBE) (0.11-0.16 mM) in batch reactors containing ferric iron (5 mM), hydrogen peroxide (H2O2) (6 mM) (pH=3) was performed to investigate MTBE transformation mechanisms. Independent variables included the form of iron (Fe) (Fe2(...

  13. Influence of the dopant during the one step mechano-chemical synthesis of sodium alanate

    International Nuclear Information System (INIS)

    Rongeat, C; Geipel, C; Llamas-Jansa, I; Schultz, L; Gutfleisch, O

    2009-01-01

    High-pressure reactive milling under hydrogen atmosphere is used for the one-step synthesis of doped sodium alanate. In-situ monitoring of the pressure and the temperature inside the vial gives a direct feedback about the reactions occurring during the milling. This information is used to study the influence of the dopant during synthesis, e.g. the amount of dopant added. The study of the pressure variations during milling is a reliable tool for screening the efficiency of different dopants.

  14. Two-dimensional dopant profiling for shallow junctions by TEM and AFM

    International Nuclear Information System (INIS)

    Yoo, K.

    2000-01-01

    The present work concerns the development of the Etch/TEM and Etch/AFM methods to obtain quantitative 2-D dopant profiles for the ultra shallow p-n junctions of the next generation of metal-oxide-semiconductor field effect transistors (MOSFETs). For these methods, thin foil (TEM) or bulk (AFM) cross-sectional specimens were etched using a dopant selective chemical so that local areas of the dopant implanted source/drain (S/D) regions were etched to different depths. The surface topography of the S/D regions was determined from the thickness fringes for the TEM method and by the direct measurement for the AFM method. The local etched depths were converted to etch rates, and these were then converted to corresponding 1-D and 2-D dopant profiles by the experimentally independent etch rate calibration curves. Shallow junction MOSFET samples were designed and fabricated with junction depths 60nm (n + /p), 80nm (n + /p) and 120nm (p + /n) using 0.25μm process technology. A new method using SOG (Spin-on-Glass) contributed to the high quality XTEM thin foil specimens. Controlled stirring of the etchant increased the dopant concentration selectivity and etching consistency. Computer modelling simulated the isotropic etching behaviours, which can introduce the significant error in dopant profiling for shallow and abrupt junction samples. Comprehensive quantitative results enabled the optimum etching time to be determined for the first time. Etch/TEM method gave 1-D dopant profiles that showed good agreement with 1-D Spreading Resistance Probe (SRP) dopant profiles for determining junction depths. 2-D dopant profiles gave L eff , i.e. the shortest lateral distance between the S/D junctions, of major importance for MOSFET performance. Values for L eff of 161, 159 and 123nm were determined from 60, 80 and 120nm junction depth samples respectively, compared with the 215nm MOSFET gate length. The resolution and accuracy of the Etch/TEM method are estimated as 2 and 10nm

  15. Magnetoresistance and charge transport in graphene governed by nitrogen dopants.

    Science.gov (United States)

    Rein, Markus; Richter, Nils; Parvez, Khaled; Feng, Xinliang; Sachdev, Hermann; Kläui, Mathias; Müllen, Klaus

    2015-02-24

    We identify the influence of nitrogen-doping on charge- and magnetotransport of single layer graphene by comparing doped and undoped samples. Both sample types are grown by chemical vapor deposition (CVD) and transferred in an identical process onto Si/SiO2 wafers. We characterize the samples by Raman spectroscopy as well as by variable temperature magnetotransport measurements. Over the entire temperature range, the charge transport properties of all undoped samples are in line with literature values. The nitrogen doping instead leads to a 6-fold increase in the charge carrier concentration up to 4 × 10(13) cm(-2) at room temperature, indicating highly effective doping. Additionally it results in the opening of a charge transport gap as revealed by the temperature dependence of the resistance. The magnetotransport exhibits a conspicuous sign change from positive Lorentz magnetoresistance (MR) in undoped to large negative MR that we can attribute to the doping induced disorder. At low magnetic fields, we use quantum transport signals to quantify the transport properties. Analyses based on weak localization models allow us to determine an orders of magnitude decrease in the phase coherence and scattering times for doped samples, since the dopants act as effective scattering centers.

  16. Dopant Adsorption and Incorporation at Irradiated GaN Surfaces

    Science.gov (United States)

    Sun, Qiang; Selloni, Annabella; Myers, Thomas; Doolittle, W. Alan

    2006-03-01

    Mg and O are two of the common dopants in GaN, but, in spite of extensive investigation, the atomic scale understanding of their adsorption and incorporation is still incomplete. In particular, high-energy electron irradiation, such as occurring during RHEED, has been reported to have an important effect on the incorporation of these impurities, but no study has addressed the detailed mechanisms of this effect yet. Here we use DFT calculations to study the adsorption and incorporation of Mg and O at the Ga- and N-polar GaN surfaces under various Ga, Mg and O coverage conditions as well as in presence of light or electron beam-induced electronic excitation. We find that the adsorption and incorporation of the two impurities have opposite surface polarity dependence: substitutional Mg prefers to incorporate at the GaN(0001) surface, while O prefers to adsorb and incorporate at the N-polar surface. In addition, our results indicate that in presence of light irradiation the tendency of Mg to surface-segregate is reduced. The O adsorption energy on the N-polar surface is also significantly reduced, consistent with the experimental observation of a much smaller concentration of oxygen in the irradiated samples.

  17. Planar Perovskite Solar Cells with High Open-Circuit Voltage Containing a Supramolecular Iron Complex as Hole Transport Material Dopant.

    Science.gov (United States)

    Saygili, Yasemin; Turren-Cruz, Silver-Hamill; Olthof, Selina; Saes, Bartholomeus Wilhelmus Henricus; Pehlivan, Ilknur Bayrak; Saliba, Michael; Meerholz, Klaus; Edvinsson, Tomas; Zakeeruddin, Shaik M; Grätzel, Michael; Correa-Baena, Juan-Pablo; Hagfeldt, Anders; Freitag, Marina; Tress, Wolfgang

    2018-04-26

    In perovskite solar cells (PSCs), the most commonly used hole transport material (HTM) is spiro-OMeTAD, which is typically doped by metalorganic complexes, for example, based on Co, to improve charge transport properties and thereby enhance the photovoltaic performance of the device. In this study, we report a new hemicage-structured iron complex, 1,3,5-tris(5'-methyl-2,2'-bipyridin-5-yl)ethylbenzene Fe(III)-tris(bis(trifluoromethylsulfonyl)imide), as a p-type dopant for spiro-OMeTAD. The formal redox potential of this compound was measured as 1.29 V vs. the standard hydrogen electrode, which is slightly (20 mV) more positive than that of the commercial cobalt dopant FK209. Photoelectron spectroscopy measurements confirm that the iron complex acts as an efficient p-dopant, as evidenced in an increase of the spiro-OMeTAD work function. When fabricating planar PSCs with the HTM spiro-OMeTAD doped by 5 mol % of the iron complex, a power conversion efficiency of 19.5 % (AM 1.5G, 100 mW cm -2 ) is achieved, compared to 19.3 % for reference devices with FK209. Open circuit voltages exceeding 1.2 V at 1 sun and reaching 1.27 V at 3 suns indicate that recombination at the perovskite/HTM interface is low when employing this iron complex. This work contributes to recent endeavors to reduce recombination losses in perovskite solar cells. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. First-principles study of the effects of halogen dopants on the properties of intergranular films in silicon nitride ceramics

    International Nuclear Information System (INIS)

    Painter, Gayle S.; Becher, Paul F.; Kleebe, H.-J.; Pezzotti, G.

    2002-01-01

    The nanoscale intergranular films that form in the sintering of ceramics often occur as adherent glassy phases separating the crystalline grains in the ceramic. Consequently, the properties of these films are often equal in importance to those of the constituent grains in determining the ceramic's properties. The measured characteristics of the silica-rich phase separating the crystalline grains in Si 3 N 4 and many other ceramics are so reproducible that SiO 2 has become a model system for studies of intergranular films (IGF's). Recently, the influence of fluorine and chlorine dopants in SiO 2 -rich IGF's in silicon nitride was precisely documented by experiment. Along with the expected similarities between the halogens, some dramatically contrasting effects were found. But the atomic-scale mechanisms distinguishing the effects F and Cl on IGF behavior have not been well understood. First-principles density functional calculations reported here provide a quantum-level description of how these dopant-host interactions affect the properties of IGF's, with specific modeling of F and Cl in the silica-rich IGF in silicon nitride. Calculations were carried out for the energetics, structural changes, and forces on the atoms making up a model cluster fragment of an SiO 2 intergranular film segment in silicon nitride with and without dopants. Results show that both anions participate in the breaking of bonds within the IGF, directly reducing the viscosity of the SiO 2 -rich film and promoting decohesion. Observed differences in the way fluorine and chlorine affect IGF behavior become understandable in terms of the relative stabilities of the halogens as they interact with Si atoms that have lost one if their oxygen bridges

  19. Solvent effects on dopant-free pH-falling polymerization of aniline

    Czech Academy of Sciences Publication Activity Database

    Rakić, A. A.; Vukomanović, M.; Trifunovic, S.; Travas-Sejdic, J.; Chaudhary, O. J.; Horský, Jiří; Ciric-Marjanovic, G.

    2015-01-01

    Roč. 209, November (2015), s. 279-296 ISSN 0379-6779 Institutional support: RVO:61389013 Keywords : dopant-free template -free method * nanostructures * polyaniline Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.299, year: 2015

  20. Chromium 51 em K2CrO4: reactions of dopant atoms in solid state

    International Nuclear Information System (INIS)

    Valim, J.B.; Nascimento, R.L.G. do; Collins, C.H.; Collins, K.E.

    1986-01-01

    The study of the chemistry of 'dopant' 51 Cr(III) atoms in crystalline Cr(VI) compounds began as a sub-field of Hot Atom Chemistry. We shall review the attempts to use 'dopant' chromium-51 atoms as surrogate chromium recoil atoms with the special property of having a low-energy, recoil-dam-age-free history. These dopant atoms have shown behaviors very similar to those of high energy recoil 51 Gr atoms, thus offering little hope of learning about special damage site structures and reactions by behavioral differences. Recent work has shown that at least some of the 'dopant' 51 Cr(III) is present as a second, non-chromate solid phase in 'doped crystal' experiments. Monodisperse 51 Cr(OH) 3 particles mixed with pure K 2 CrO 4 are very reactive. (Author) [pt

  1. Charge separation technique for metal-oxide-silicon capacitors in the presence of hydrogen deactivated dopants

    International Nuclear Information System (INIS)

    Witczak, Steven C.; Winokur, Peter S.; Lacoe, Ronald C.; Mayer, Donald C.

    2000-01-01

    An improved charge separation technique for metal-oxide-silicon (MOS) capacitors is presented which accounts for the deactivation of substrate dopants by hydrogen at elevated irradiation temperatures or small irradiation biases. Using high-frequency capacitance-voltage (C-V) measurements, radiation-induced inversion voltage shifts are separated into components due to oxide trapped charge, interface traps and deactivated dopants, where the latter is computed from a reduction in Si capacitance. In the limit of no radiation-induced dopant deactivation, this approach reduces to the standard midgap charge separation technique used widely for the analysis of room-temperature irradiations. The technique is demonstrated on a p-type MOS capacitor irradiated with 60 Co γ-rays at 100 C and zero bias, where the dopant deactivation is significant

  2. Materials properties of hafnium and zirconium silicates: Metal interdiffusion and dopant penetration studies

    Science.gov (United States)

    Quevedo Lopez, Manuel Angel

    Hafnium and Zirconium based gate dielectrics are considered potential candidates to replace SiO2 or SiON as the gate dielectric in CMOS processing. Furthermore, the addition of nitrogen into this pseudo-binary alloy has been shown to improve their thermal stability, electrical properties, and reduce dopant penetration. Because CMOS processing requires high temperature anneals (up to 1050°C), it is important to understand the diffusion properties of any metal associated with the gate dielectric in silicon at these temperatures. In addition, dopant penetration from the doped polysilicon gate into the Si channel at these temperatures must also be studied. Impurity outdiffusion (Hf, Zr) from the dielectric, or dopant (B, As, P) penetration through the dielectric into the channel region would likely result in deleterious effects upon the carrier mobility. In this dissertation extensive thermal stability studies of alternate gate dielectric candidates ZrSixOy and HfSixO y are presented. Dopant penetration studies from doped-polysilicon through HfSixOy and HfSixOyNz are also presented. Rutherford Backscattering Spectroscopy (RBS), Heavy Ion RBS (HI-RBS), X-ray Photoelectron Spectroscopy (XPS), High Resolution Transmission Electron Microscopy (HR-TEM), and Time of Flight and Dynamic Secondary Ion Mass Spectroscopy (ToF-SIMS, D-SIMS) methods were used to characterize these materials. The dopant diffusivity is calculated by modeling of the dopant profiles in the Si substrate. In this disseration is reported that Hf silicate films are more stable than Zr silicate films, from the metal interdiffusion point of view. On the other hand, dopant (B, As, and P) penetration is observed for HfSixO y films. However, the addition of nitrogen to the Hf - Si - O systems improves the dopant penetration properties of the resulting HfSi xOyNz films.

  3. Dopant profiling based on scanning electron and helium ion microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chee, Augustus K.W., E-mail: kwac2@cam.ac.uk [Centre for Advanced Photonics and Electronics, Electrical Engineering Division, Department of Engineering, University of Cambridge, 9 JJ Thomson Avenue, Cambridge CB3 0FA (United Kingdom); Boden, Stuart A. [University of Southampton, Electronics and Computer Science, Highfield, Southampton SO17 1BJ (United Kingdom)

    2016-02-15

    In this paper, we evaluate and compare doping contrast generated inside the scanning electron microscope (SEM) and scanning helium ion microscope (SHIM). Specialised energy-filtering techniques are often required to produce strong doping contrast to map donor distributions using the secondary electron (SE) signal in the SEM. However, strong doping contrast can be obtained from n-type regions in the SHIM, even without energy-filtering. This SHIM technique is more sensitive than the SEM to donor density changes above its sensitivity threshold, i.e. of the order of 10{sup 16} or 10{sup 17} donors cm{sup −3} respectively on specimens with or without a p–n junction; its sensitivity limit is well above 2×10{sup 17} acceptors cm{sup −3} on specimens with or without a p–n junction. Good correlation is found between the widths and slopes of experimentally measured doping contrast profiles of thin p-layers and the calculated widths and slopes of the potential energy distributions across these layers, at a depth of 1 to 3 nm and 5 to 10 nm below the surface in the SHIM and the SEM respectively. This is consistent with the mean escape depth of SEs in silicon being about 1.8 nm and 7 nm in the SHIM and SEM respectively, and we conclude that short escape depth, low energy SE signals are most suitable for donor profiling. - Highlights: • Strong doping contrast from n-type regions in the SHIM without energy-filtering. • Sensitivity limits are established of the SHIM and SEM techniques. • We discuss the impact of SHIM imaging conditions on quantitative dopant profiling. • Doping contrast stems from different surface layer thicknesses in the SHIM and SEM.

  4. Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study

    International Nuclear Information System (INIS)

    Zhang Yonghui; Chen Yabin; Zhou Kaige; Liu Caihong; Zeng Jing; Zhang Haoli; Peng Yong

    2009-01-01

    The interactions between four different graphenes (including pristine, B- or N-doped and defective graphenes) and small gas molecules (CO, NO, NO 2 and NH 3 ) were investigated by using density functional computations to exploit their potential applications as gas sensors. The structural and electronic properties of the graphene-molecule adsorption adducts are strongly dependent on the graphene structure and the molecular adsorption configuration. All four gas molecules show much stronger adsorption on the doped or defective graphenes than that on the pristine graphene. The defective graphene shows the highest adsorption energy with CO, NO and NO 2 molecules, while the B-doped graphene gives the tightest binding with NH 3 . Meanwhile, the strong interactions between the adsorbed molecules and the modified graphenes induce dramatic changes to graphene's electronic properties. The transport behavior of a gas sensor using B-doped graphene shows a sensitivity two orders of magnitude higher than that of pristine graphene. This work reveals that the sensitivity of graphene-based chemical gas sensors could be drastically improved by introducing the appropriate dopant or defect.

  5. Size limit on the phosphorous doped silicon nanocrystals for dopant activation

    Energy Technology Data Exchange (ETDEWEB)

    Yang, P., E-mail: pengyuan.yang@surrey.ac.uk [Surrey Ion Beam Centre, Advanced Technology Institute, University of Surrey, Guildford GU2 5XH (United Kingdom); Gwilliam, R.M. [Surrey Ion Beam Centre, Advanced Technology Institute, University of Surrey, Guildford GU2 5XH (United Kingdom); Crowe, I.F.; Papachristodoulou, N.; Halsall, M.P. [Photon Science Institute, School of Electrical and Electronic Engineering, Alan Turing Building, University of Manchester, Manchester M13 9PL (United Kingdom); Hylton, N.P. [Blackett Laboratory, Department of Physics, Imperial College London, London SW7 2AZ (United Kingdom); Hulko, O.; Knights, A.P. [Department of Engineering Physics and the Centre for Emerging Device Technologies, McMaster University, 1280 Main Street West, Hamilton L8S 4L7, Ontario (Canada); Shah, M.; Kenyon, A.J. [Department of Electronic and Electrical Engineering, University College London, London WC1E 7JE (United Kingdom)

    2013-07-15

    We studied the photoluminescence spectra of silicon nanocrystals doped with and without phosphorus as a function of isothermal annealing time. Silicon nanocrystals were prepared by the implantation of 80 keV Si{sup +} into a 500 nm SiO{sub 2} film to an areal density of 8 × 10{sup 16} at/cm{sup 2}. Half of the samples were co-implanted with P{sup +} at 80 keV to 5 × 10{sup 15} at/cm{sup 2}. The photoluminescence of the annealed samples were photo-excited at wavelength of 405 nm. For short anneal times, when the nanocrystal size distribution has a relatively small mean diameter, formation in the presence of phosphorus yields an increase in the luminescence intensity and a blue shift in the emission peak compared with intrinsic nanocrystals. As the mean size increases with annealing time, this enhancement rapidly diminishes and the peak energy shifts to the red. Our results indicate the donor electron generation depends strongly on the nanocrystal size. We also found a critical limit above which it allows dopant activation.

  6. Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

    Directory of Open Access Journals (Sweden)

    R. S. Sreenivasan

    2013-01-01

    Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

  7. Titanium dioxide nanotube membranes for solar energy conversion: effect of deep and shallow dopants.

    Science.gov (United States)

    Ding, Yuchen; Nagpal, Prashant

    2017-04-12

    Nanostructured titanium dioxide (TiO 2 ) has been intensively investigated as a material of choice for solar energy conversion in photocatalytic, photoelectrochemical, photovoltaic, and other photosensitized devices for converting light into chemical feedstocks or electricity. Towards management of light absorption in TiO 2 , while the nanotubular structure improves light absorption and simultaneous charge transfer to mitigate problems due to the indirect bandgap of the semiconductor, typically dopants are used to improve light absorption of incident solar irradiation in the wide bandgap of TiO 2 . While these dopants can be critical to the success of these solar energy conversion devices, their effect on photophysical and photoelectrochemical properties and detailed photokinetics are relatively under-studied. Here, we show the effect of deep and shallow metal dopants on the kinetics of photogenerated charged carriers in TiO 2 and the resulting effect on photocatalytic and photoelectrochemical processes using these nanotube membranes. We performed a detailed optical, electronic, voltammetry and electrochemical impedance study to understand the effect of shallow and deep metal dopants (using undoped and niobium- and copper-doped TiO 2 nanotubes) on light absorption, charge transport and charge transfer processes. Using wireless photocatalytic methylene blue degradation and carbon dioxide reduction, and wired photoelectrochemical device measurements, we elucidate the effect of different dopants on solar-to-fuel conversion efficiency and simultaneously describe the photokinetics using a model, to help design better energy conversion devices.

  8. Effects on Implosion Characteristics of High-Z Dopant Profiles in ICF Ignition Capsule Ablators

    Science.gov (United States)

    Li, Yongsheng; Wang, Min; Gu, Jianfa; Zou, Shiyang; Kang, Dongguo; Ye, Wenhua; Zhang, Weiyan

    2012-10-01

    For ignition target design (ITD) of indirect drive ICF [J. Lindl, PoP 2, 3933(1995)], high-Z dopants in capsule ablators were used to prevent preheat of DTadjacentablators by Au M-band flux in laser-driven gold Hohlraums, therefore to restrain the growth of high-mode hydro-instabilities and to improve the targetrobustness.Based on NIC's Rev. 5 ITD[S. W. Haan et al., PoP 18, 051001(2011)], we investigated the effect of thickness and dopant concentration of doped layers on implosion characteristics, including the Atwood number (AWN) of fuel-ablator interface, the density gradient scale length (DGSL) of ablation front and the implosion velocity (VIM); all three variables decrease with increment of dopant dosage, and increase with dopant concentration while keeping dosage constant. Since a smaller AWN, a larger DGSL, and a faster VIM always characterize a more robust ITD, one should make tradeoff among them by adjusting the dopant profiles in ablators.A Gaussian spectrum (GS) was used to imitate the Au M-band flux [Y. S. Li et al., PoP 18, 022701(2011)], and the impact of GScenter on implosion characteristics of Rev. 5 ITD was studied while moving the GScenter towards higher energy, the ablatorpreheat got severe, AWN got larger, DGSL got larger, and VIM got faster.

  9. Quantum confined Stark effects of single dopant in polarized hemispherical quantum dot: Two-dimensional finite difference approach and Ritz-Hassé variation method

    Science.gov (United States)

    El Harouny, El Hassan; Nakra Mohajer, Soukaina; Ibral, Asmaa; El Khamkhami, Jamal; Assaid, El Mahdi

    2018-05-01

    Eigenvalues equation of hydrogen-like off-center single donor impurity confined in polarized homogeneous hemispherical quantum dot deposited on a wetting layer, capped by insulated matrix and submitted to external uniform electric field is solved in the framework of the effective mass approximation. An infinitely deep potential is used to describe effects of quantum confinement due to conduction band offsets at surfaces where quantum dot and surrounding materials meet. Single donor ground state total and binding energies in presence of electric field are determined via two-dimensional finite difference approach and Ritz-Hassé variation principle. For the latter method, attractive coulomb correlation between electron and ionized single donor is taken into account in the expression of trial wave function. It appears that off-center single dopant binding energy, spatial extension and radial probability density are strongly dependent on hemisphere radius and single dopant position inside quantum dot. Influence of a uniform electric field is also investigated. It shows that Stark effect appears even for very small size dots and that single dopant energy shift is more significant when the single donor is near hemispherical surface.

  10. Screening based approach and dehydrogenation kinetics for MgH2: Guide to find suitable dopant using first-principles approach.

    Science.gov (United States)

    Kumar, E Mathan; Rajkamal, A; Thapa, Ranjit

    2017-11-14

    First-principles based calculations are performed to investigate the dehydrogenation kinetics considering doping at various layers of MgH 2 (110) surface. Doping at first and second layer of MgH 2 (110) has a significant role in lowering the H 2 desorption (from surface) barrier energy, whereas the doping at third layer has no impact on the barrier energy. Molecular dynamics calculations are also performed to check the bonding strength, clusterization, and system stability. We study in details about the influence of doping on dehydrogenation, considering the screening factors such as formation enthalpy, bulk modulus, and gravimetric density. Screening based approach assist in finding Al and Sc as the best possible dopant in lowering of desorption temperature, while preserving similar gravimetric density and Bulk modulus as of pure MgH 2 system. The electron localization function plot and population analysis illustrate that the bond between Dopant-Hydrogen is mainly covalent, which weaken the Mg-Hydrogen bonds. Overall we observed that Al as dopant is suitable and surface doping can help in lowering the desorption temperature. So layer dependent doping studies can help to find the best possible reversible hydride based hydrogen storage materials.

  11. Effect of Cu-Dopant on the Structural, Magnetic and Electrical Properties of ZnO

    Science.gov (United States)

    Aryanto, D.; Kurniawan, C.; Subhan, A.; Sudiro, T.; Sebayang, P.; Ginting, M.; Siregar, S. M. K.; Nasruddin, M. N.

    2017-05-01

    Zn1- x Cu x O (x = 0, 2, 3, and 4 at.%) was synthesized by using solid-state reaction technique. The ZnO and CuO powders were mixed and then milled by using high-speed shaker mill. The influence of Cu dopants on the structure, magnetic, and electrical properties was investigated by using XRD, VSM, and I-V and C-V measurements. The XRD analysis showed that the Zn1- x Cu x O had hexagonal wurtzite polycrystalline. The diffraction intensity decreased and the peak position shifted directly to a higher 2θ angle with increasing the dopant concentration. Furthermore, the lattice parameters decreased when the ZnO was doped with x = 0.04, which indicated that the crystal structure changed. The increase of Cu dopants was believed to affect the magnetic and electrical properties of ZnO.

  12. Two-dimensional dopant profiling by electrostatic force microscopy using carbon nanotube modified cantilevers

    International Nuclear Information System (INIS)

    Chin, S.-C.; Chang, Y.-C.; Chang, C.-S.; Tsong, T T; Hsu, Chen-Chih; Wu, Chih-I; Lin, W-H; Woon, W-Y; Lin, L-T; Tao, H-J

    2008-01-01

    A two-dimensional (2D) dopant profiling technique is demonstrated in this work. We apply a unique cantilever probe in electrostatic force microscopy (EFM) modified by the attachment of a multiwalled carbon nanotube (MWNT). Furthermore, the tip apex of the MWNT was trimmed to the sharpness of a single-walled carbon nanotube (SWNT). This ultra-sharp MWNT tip helps us to resolve dopant features to within 10 nm in air, which approaches the resolution achieved by ultra-high vacuum scanning tunnelling microscopy (UHV STM). In this study, the CNT-probed EFM is used to profile 2D buried dopant distribution under a nano-scale device structure and shows the feasibility of device characterization for sub-45 nm complementary metal-oxide-semiconductor (CMOS) field-effect transistors

  13. Theory of space charge limited currents in films and nanowires with dopants

    Science.gov (United States)

    Zhang, Xiaoguang; Pantelides, Sokrates

    2015-03-01

    We show that proper description of the space charge limited currents (SCLC) in a homogeneous bulk material must account fully for the effect of the dopants and the interplay between dopants and traps. The sharp rise in the current at the trap-filled-limit (TFL) is partially mitigated by the dopant energy levels and the Frenkel effect, namely the lowering of the ionization energy by the electric field, which is screened by the free carriers. In nanowires, lack of effective screening causes the trap occupation at small biases to reach a high level comparable to the TFL in bulk. This explains the high current density in SCLCs observed in nanowires. This work is supported by the LDRD program at ORNL. Portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.

  14. An extended five-stream model for diffusion of ion-implanted dopants in monocrystalline silicon

    International Nuclear Information System (INIS)

    Khina, B.B.

    2007-01-01

    Low-energy high-dose ion implantation of different dopants (P, Sb, As, B and others) into monocrystalline silicon with subsequent thermal annealing is used for the formation of ultra-shallow p-n junctions in modern VLSI circuit technology. During annealing, dopant activation and diffusion in silicon takes place. The experimentally observed phenomenon of transient enhanced diffusion (TED), which is typically ascribed to the interaction of diffusing species with non-equilibrium point defects accumulated in silicon due to ion damage, and formation of small clusters and extended defects, hinders further down scaling of p-n junctions in VLSI circuits. TED is currently a subject of extensive experimental and theoretical investigation in many binary and multicomponent systems. However, the state-of-the-art mathematical models of dopant diffusion, which are based on the so-called 'five-stream' approach, and modern TCAD software packages such as SUPREM-4 (by Silvaco Data Systems, Ltd.) that implement these models encounter severe difficulties in describing TED. Solving the intricate problem of TED suppression and development of novel regimes of ion implantation and rapid thermal annealing is impossible without elaboration of new mathematical models and computer simulation of this complex phenomenon. In this work, an extended five-stream model for diffusion in silicon is developed which takes into account all possible charge states of point defects (vacancies and silicon self-interstitials) and diffusing pairs 'dopant atom-vacancy' and 'dopant atom-silicon self-interstitial'. The model includes the drift terms for differently charged point defects and pairs in the internal electric field and the kinetics of interaction between unlike 'species' (generation and annihilation of pairs and annihilation of point defects). Expressions for diffusion coefficients and numerous sink/source terms that appear in the non-linear, non-steady-state reaction-diffusion equations are derived

  15. Effect of rare earth dopants on structural and mechanical properties of nanoceria synthesized by combustion method

    International Nuclear Information System (INIS)

    Akbari-Fakhrabadi, A.; Meruane, V.; Jamshidijam, M.; Gracia-Pinilla, M.A.; Mangalaraja, R.V.

    2016-01-01

    Structural characteristics of combustion synthesized, calcined and densified pure and doped nanoceria with tri-valent cations of Er, Y, Gd, Sm and Nd were analyzed by X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). The results showed that the as-synthesized and calcined nanopowders were mesoporous and calculated lattice parameters were close to theoretical ion-packing model. The effect of dopants on elastic modulus, microhardness and fracture toughness of sintered pure and doped ceria were investigated. It was observed that tri-valent cation dopants increased the hardness of the ceria, whereas the fracture toughness and elastic modulus were decreased.

  16. Dopant distributions in n-MOSFET structure observed by atom probe tomography

    International Nuclear Information System (INIS)

    Inoue, K.; Yano, F.; Nishida, A.; Takamizawa, H.; Tsunomura, T.; Nagai, Y.; Hasegawa, M.

    2009-01-01

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

  17. Addition of photosensitive dopants to the D0 liquid argon calorimeter

    International Nuclear Information System (INIS)

    Amos, N.A.; Anderson, D.F.

    1992-10-01

    The addition of photosensitive dopants to liquid argon greatly enhances the signal from heavily ionizing particles. Since binding energy losses we correlated with the heavily ionizing component in hadronic showers, the addition of photosensitive dopants has been suggested as a mechanism to tune the e/π ratio in liquid argon calorimeters. A measurement was performed at the FNAL test beam, adding 4 ppM tetramethylgermanium to the Dφ uranium-liquid argon calorimeter. An increase in response for electromagnetic and hadronic showers was observed, with no net change in the e/π ratio

  18. Dopant distributions in n-MOSFET structure observed by atom probe tomography.

    Science.gov (United States)

    Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

    2009-11-01

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

  19. Defect evolution and dopant activation in laser annealed Si and Ge

    DEFF Research Database (Denmark)

    Cristiano, F.; Shayesteh, M.; Duffy, R.

    2016-01-01

    Defect evolution and dopant activation are intimately related to the use of ion implantation and annealing, traditionally used to dope semiconductors during device fabrication. Ultra-fast laser thermal annealing (LTA) is one of the most promising solutions for the achievement of abrupt and highly...... doped junctions. In this paper, we report some recent investigations focused on this annealing method, with particular emphasis on the investigation of the formation and evolution of implant/anneal induced defects and their impact on dopant activation. In the case of laser annealed Silicon, we show...

  20. Optimized Laser Thermal Annealing on Germanium for High Dopant Activation and Low Leakage Current

    DEFF Research Database (Denmark)

    Shayesteh, Maryam; O' Connell, Dan; Gity, Farzan

    2014-01-01

    In this paper, state-of-the-art laser thermal annealing is used to fabricate Ge diodes. We compared the effect of laser thermal annealing (LTA) and rapid thermal annealing (RTA) on dopant activation and electrical properties of phosphorus and Arsenic-doped n +/p junctions. Using LTA, high carrier...... implant conditions. On the other hand, RTA revealed very high I on/I off ratio ∼ 107 and n ∼ 1, at the cost of high dopant diffusion and lower carrier concentrations which would degrade scalability and access resistance....

  1. The ionization mechanisms in direct and dopant-assisted atmospheric pressure photoionization and atmospheric pressure laser ionization.

    Science.gov (United States)

    Kauppila, Tiina J; Kersten, Hendrik; Benter, Thorsten

    2014-11-01

    A novel, gas-tight API interface for gas chromatography-mass spectrometry was used to study the ionization mechanism in direct and dopant-assisted atmospheric pressure photoionization (APPI) and atmospheric pressure laser ionization (APLI). Eight analytes (ethylbenzene, bromobenzene, naphthalene, anthracene, benzaldehyde, pyridine, quinolone, and acridine) with varying ionization energies (IEs) and proton affinities (PAs), and four common APPI dopants (toluene, acetone, anisole, and chlorobenzene) were chosen. All the studied compounds were ionized by direct APPI, forming mainly molecular ions. Addition of dopants suppressed the signal of the analytes with IEs above the IE of the dopant. For compounds with suitable IEs or Pas, the dopants increased the ionization efficiency as the analytes could be ionized through dopant-mediated gas-phase reactions, such as charge exchange, proton transfer, and other rather unexpected reactions, such as formation of [M + 77](+) in the presence of chlorobenzene. Experiments with deuterated toluene as the dopant verified that in case of proton transfer, the proton originated from the dopant instead of proton-bound solvent clusters, as in conventional open or non-tight APPI sources. In direct APLI using a 266 nm laser, a narrower range of compounds was ionized than in direct APPI, because of exceedingly high IEs or unfavorable two-photon absorption cross-sections. Introduction of dopants in the APLI system changed the ionization mechanism to similar dopant-mediated gas-phase reactions with the dopant as in APPI, which produced mainly ions of the same form as in APPI, and ionized a wider range of analytes than direct APLI.

  2. Impact of dopant profiles on the end of range defects for low energy germanium preamorphized silicon

    International Nuclear Information System (INIS)

    Camillo-Castillo, R.A.; Law, M.E.; Jones, K.S.

    2004-01-01

    As the industry continues to aggressively scale CMOS technology, the shift to lower energy ion implantation becomes essential. The consequent shallower amorphous layers result in dopant profiles that are in closer proximity to the end of range (EOR) damage and therefore a better understanding of the interaction between the dopant atoms and the EOR is required. A study is conducted on the influence of dopant profiles on the behavior of the EOR defects. Czochralski-grown silicon wafers are preamorphized with 1 x 10 15 cm -2 , 10 keV Ge + ions and subsequently implanted with 1 x 10 15 cm -2 , 1 keV B + ions. A sequence of rapid thermal and furnace anneals are performed at 750 deg. C under a nitrogen ambient for periods of 1 s up to 6 h. Plan view transmission electron microscopy (PTEM) reveals a significant difference in the defect evolution for samples with and without boron, suggesting that the boron influences the evolution of the EOR defects. The extended defects observed for samples which contain boron appear as dot-like defects which are unstable and dissolve after very short anneal times. The defect evolution however, in samples without boron follows an Oswald ripening behavior and form {3 1 1}-type defects and dislocation loops. Hall effect measurements denote a high initial activation and subsequent deactivation of the dopant atoms which is characteristic of the formation of boron interstitial clusters. Diffusion analyses via secondary ion mass spectroscopy (SIMS) support this theory

  3. Effect of Dopant Activation on Device Characteristics of InGaN-based Light Emitting Diodes

    Science.gov (United States)

    Lacroce, Nicholas; Liu, Guangyu; Tan, Chee-Keong; Arif, Ronald A.; Lee, Soo Min; Tansu, Nelson

    2015-03-01

    Achieving high uniformity in growths and device characteristics of InGaN-based light-emitting diodes (LEDs) is important for large scale manufacturing. Dopant activation and maintaining control of variables affecting dopant activation are critical steps in the InGaN-based light emitting diodes (LEDs) fabrication process. In the epitaxy of large scale production LEDs, in-situ post-growth annealing is used for activating the Mg acceptor dopant in the p-AlGaN and p-GaN of the LEDs. However, the annealing temperature varies with respect to position in the reactor chamber, leading to severe uniform dopant activation issue across the devices. Thus, it is important to understand how the temperature gradient and the resulting variance in Mg acceptor activation will alter the device properties. In this work, we examine the effect of varying p-type doping levels in the p-GaN layers and AlGaN electron blocking layer of the GaN LEDs on the optoelectronic properties including the band profile, carrier concentration, current density, output power and quantum efficiency. By understanding the variations and its effect, the identification of the most critical p-type doping layer strategies to address this variation will be clarified.

  4. (Invited) Pure Dopant Deposition of B and Ga for Ultrashallow Junctions in Si-based Devices

    NARCIS (Netherlands)

    Nanver, L.K.; Sammak, A.; Mohammadi, V.; Mok, K.R.C.; Qi, L.; Sakic, A.; Golshani, N.; Darakhshandeh, J.; Scholtes, T.M.L.; De Boer, W.B.

    2012-01-01

    Envisioning wide future relevance, work is reviewed here on the pure dopant deposition of boron (PureB), gallium (PureGa) and the combination of the two (PureGaB), as used in the fabrication of nanometer shallow p+n Si and/or Ge diodes. Focus is placed on the special properties that have put these

  5. Determination of the dopant weight fraction in polyaniline films using a quartz-crystal microbalance

    Czech Academy of Sciences Publication Activity Database

    Ayad, M. M.; Zaki, E. A.; Stejskal, Jaroslav

    2007-01-01

    Roč. 515, č. 23 (2007), s. 8381-8385 ISSN 0040-6090 R&D Projects: GA AV ČR IAA4050313 Institutional research plan: CEZ:AV0Z40500505 Keywords : dopant weight fraction * polyaniline * polyaniline film Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.693, year: 2007

  6. Optical acetone vapor sensors based on chiral nematic liquid crystals and reactive chiral dopants

    NARCIS (Netherlands)

    Cachelin, P.; Green, J.P.; Peijs, T.; Heeney, M.; Bastiaansen, C.W.M.

    2016-01-01

    Accurate monitoring of exposure to organic vapors, such as acetone, is an important part of maintaining a safe working environment and adhering to long- and short-term exposure limits. Here, a novel acetone vapor detection system is described based on the use of a reactive chiral dopant in a nematic

  7. Finite element simulations of electrostatic dopant potentials in thin semiconductor specimens for electron holography

    Energy Technology Data Exchange (ETDEWEB)

    Somodi, P.K.; Twitchett-Harrison, A.C.; Midgley, P.A. [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ (United Kingdom); Kardynał, B.E. [Peter Grünberg Institute 9, Forschungszentrum Jülich, D-52425 Jülich (Germany); Barnes, C.H.W. [Department of Physics, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Dunin-Borkowski, R.E., E-mail: rafaldb@gmail.com [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute 5, Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2013-11-15

    Two-dimensional finite element simulations of electrostatic dopant potentials in parallel-sided semiconductor specimens that contain p–n junctions are used to assess the effect of the electrical state of the surface of a thin specimen on projected potentials measured using off-axis electron holography in the transmission electron microscope. For a specimen that is constrained to have an equipotential surface, the simulations show that the step in the projected potential across a p–n junction is always lower than would be predicted from the properties of the bulk device, but is relatively insensitive to the value of the surface state energy, especially for thicker specimens and higher dopant concentrations. The depletion width measured from the projected potential, however, has a complicated dependence on specimen thickness. The results of the simulations are of broader interest for understanding the influence of surfaces and interfaces on electrostatic potentials in nanoscale semiconductor devices. - Highlights: • Finite element simulations are performed to calculate electrostatic dopant potentials in TEM specimens that contain p–n junctions. • The effect of the electrical state of the specimen surface on the projected potential is assessed for equipotential specimen surfaces. • The step in projected potential is always found to be lower than the step in potential in the bulk device. • The step in projected potential is least sensitive to surface state energy for thicker specimens and higher dopant concentrations. • The depletion width measured from the projected potential has a complicated dependence on specimen thickness.

  8. Finite element simulations of electrostatic dopant potentials in thin semiconductor specimens for electron holography

    International Nuclear Information System (INIS)

    Somodi, P.K.; Twitchett-Harrison, A.C.; Midgley, P.A.; Kardynał, B.E.; Barnes, C.H.W.; Dunin-Borkowski, R.E.

    2013-01-01

    Two-dimensional finite element simulations of electrostatic dopant potentials in parallel-sided semiconductor specimens that contain p–n junctions are used to assess the effect of the electrical state of the surface of a thin specimen on projected potentials measured using off-axis electron holography in the transmission electron microscope. For a specimen that is constrained to have an equipotential surface, the simulations show that the step in the projected potential across a p–n junction is always lower than would be predicted from the properties of the bulk device, but is relatively insensitive to the value of the surface state energy, especially for thicker specimens and higher dopant concentrations. The depletion width measured from the projected potential, however, has a complicated dependence on specimen thickness. The results of the simulations are of broader interest for understanding the influence of surfaces and interfaces on electrostatic potentials in nanoscale semiconductor devices. - Highlights: • Finite element simulations are performed to calculate electrostatic dopant potentials in TEM specimens that contain p–n junctions. • The effect of the electrical state of the specimen surface on the projected potential is assessed for equipotential specimen surfaces. • The step in projected potential is always found to be lower than the step in potential in the bulk device. • The step in projected potential is least sensitive to surface state energy for thicker specimens and higher dopant concentrations. • The depletion width measured from the projected potential has a complicated dependence on specimen thickness

  9. The Impact of Dopant Segregation on the Maximum Carrier Density in Si:P Multilayers.

    Science.gov (United States)

    Keizer, Joris G; McKibbin, Sarah R; Simmons, Michelle Y

    2015-07-28

    Abrupt dopant profiles and low resistivity are highly sought after qualities in the silicon microelectronics industry and, more recently, in the development of an all epitaxial Si:P based quantum computer. If we increase the active carrier density in silicon to the point where the material becomes superconducting, while maintaining a low thermal budget, it will be possible to fabricate nanoscale superconducting devices using the highly successful technique of depassivation lithography. In this work, we investigate the dopant profile and activation in multiple high density Si:P δ-layers fabricated by stacking individual layers with intervening silicon growth. We determine that dopant activation is ultimately limited by the formation of P-P dimers due to the segregation of dopants between multilayers. By increasing the encapsulation thickness between subsequent layers, thereby minimizing the formation of these deactivating defects, we are able to achieve an active carrier density of ns = 4.5 ×10(14) cm(-2) for a triple layer. The results of electrical characterization are combined with those of secondary ion mass spectroscopy to construct a model that accurately describes the impact of P segregation on the final active carrier density in Si:P multilayers. Our model predicts that a 3D active carrier density of 8.5 × 10(20) cm(-3) (1.7 atom %) can be achieved.

  10. Ternary logic implemented on a single dopant atom field effect silicon transistor

    NARCIS (Netherlands)

    Klein, M.; Mol, J.A.; Verduijn, J.; Lansbergen, G.P.; Rogge, S.; Levine, R.D.; Remacle, F.

    2010-01-01

    We provide an experimental proof of principle for a ternary multiplier realized in terms of the charge state of a single dopant atom embedded in a fin field effect transistor (Fin-FET). Robust reading of the logic output is made possible by using two channels to measure the current flowing through

  11. Laser thermal annealing of Ge, optimized for highly activated dopants and diode ION/IOFF ratios

    DEFF Research Database (Denmark)

    Shayesteh, M.; O'Connell, D.; Gity, F.

    2014-01-01

    The authors compared the influence of laser thermal annealing (LTA) and rapid thermal annealing (RTA) on dopant activation and electrical performance of phosphorus and arsenic doped n+/p junction. High carrier concentration above 1020 cm-3 as well as an ION/IOFF ratio of approximately 105 and ide...

  12. Charge Exchange Reaction in Dopant-Assisted Atmospheric Pressure Chemical Ionization and Atmospheric Pressure Photoionization.

    Science.gov (United States)

    Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

    2016-08-01

    The efficiencies of charge exchange reaction in dopant-assisted atmospheric pressure chemical ionization (DA-APCI) and dopant-assisted atmospheric pressure photoionization (DA-APPI) mass spectrometry (MS) were compared by flow injection analysis. Fourteen individual compounds and a commercial mixture of 16 polycyclic aromatic hydrocarbons were chosen as model analytes to cover a wide range of polarities, gas-phase ionization energies, and proton affinities. Chlorobenzene was used as the dopant, and methanol/water (80/20) as the solvent. In both techniques, analytes formed the same ions (radical cations, protonated molecules, and/or fragments). However, in DA-APCI, the relative efficiency of charge exchange versus proton transfer was lower than in DA-APPI. This is suggested to be because in DA-APCI both dopant and solvent clusters can be ionized, and the formed reagent ions can react with the analytes via competing charge exchange and proton transfer reactions. In DA-APPI, on the other hand, the main reagents are dopant-derived radical cations, which favor ionization of analytes via charge exchange. The efficiency of charge exchange in both DA-APPI and DA-APCI was shown to depend heavily on the solvent flow rate, with best efficiency seen at lowest flow rates studied (0.05 and 0.1 mL/min). Both DA-APCI and DA-APPI showed the radical cation of chlorobenzene at 0.05-0.1 mL/min flow rate, but at increasing flow rate, the abundance of chlorobenzene M(+.) decreased and reagent ion populations deriving from different gas-phase chemistry were recorded. The formation of these reagent ions explains the decreasing ionization efficiency and the differences in charge exchange between the techniques. Graphical Abstract ᅟ.

  13. Dopant structural distortions in high-temperature superconductors: an active or a passive role?

    International Nuclear Information System (INIS)

    Haskel, D.; Stern, E.A.; Dogan, F.; Moodenbaugh, A.R.

    2001-01-01

    The parent compounds of high-temperature superconductors, such as YBa 2 Cu 3 O 6 and La 2 CuO 4 , are strongly interacting electron systems, rendering them insulators with Mott-Hubbard gaps of a few electron volts. Charge carriers (holes) are introduced by chemical doping, causing an insulator-metal (IM) transition and, at low temperatures, superconductivity. The role of dopants is widely seen as limited to the introduction of holes into the CuO 2 planes (i.e. occupying electronic states derived from Cu 3d x2-y2 and O 2p x,y atomic orbitals). Most theories of high-T c superconductivity deal with pairing interactions between these planar holes. Local distortions around dopants are poorly understood, because of the experimental difficulty in obtaining such information, particularly at low doping. This has resulted in the neglect, in most theories, of the effect of such distortions on the chemical and electronic structure of high-T c superconductors. Angular-resolved X-ray absorption fine structure (XAFS) spectroscopy on oriented samples is an ideal technique to elucidate the dopant distortions. Element specificity, together with a large orientation dependence of the XAFS signal in these layered structures, allows the local structure around dopants to be resolved. Results are presented here on (Sr, Ba) and Ni dopants, which substitute at the La and Cu sites, respectively, of insulating La 2 CuO 4 . The relevance of the measured local distortions for a complete understanding of the normal and superconducting properties of cuprates is discussed. (au)

  14. A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of α-tetrathiophene

    International Nuclear Information System (INIS)

    Aleman, Carlos; Oliver, Ramon; Brillas, Enric; Casanovas, Jordi; Estrany, Francesc

    2006-01-01

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. The results derived from anodic polymerization of α-tetrathiophene using SCN - , Cl - , Br - , NO 3 - ClO 3 - andClO 4 - as dopant agents are compared with theoretical results provided by quantum mechanical calculations on 1:1 charge-transfer complexes formed by α-tetrathiophene and X=SCN, Cl, Br, NO 3 , ClO 3 and ClO 4 . The consistency between experimental and theoretical results allows explain and rationalize the influence of the dopant in the electropolymerization of α-tetrathiophene

  15. Probing dopants in wide semiconductor quantum point contacts

    International Nuclear Information System (INIS)

    Yakimenko, I I; Berggren, K-F

    2016-01-01

    Effects of randomly distributed impurities on conductance, spin polarization and electron localization in realistic gated semiconductor quantum point contacts (QPCs) have been simulated numerically. To this end density functional theory in the local spin-density approximation has been used. In the case when the donor layer is embedded far from the two-dimensional electron gas (2DEG) the electrostatic confinement potential exhibits the conventional parabolic form, and thus the usual ballistic transport phenomena take place both in the devices with split gates alone and with an additional metallic gate on the top. In the opposite case, i.e. when the randomly distributed donors are placed not far away from the 2DEG layer, there are drastic changes like the localization of electrons in the vicinity of confinement potential minima which give rise to fluctuations in conductance and resonances. The conductance as a function of the voltage applied to the top gate for asymmetrically charged split gates has been calculated. In this case resonances in conductance caused by randomly distributed donors are shifted and decrease in amplitude while the anomalies caused by interaction effects remain unmodified. It has been also shown that for a wide QPC the polarization can appear in the form of stripes. The importance of partial ionization of the random donors and the possibility of short range order among the ionized donors are emphasized. The motivation for this work is to critically evaluate the nature of impurities and how to guide the design of high-mobility devices. (paper)

  16. Phosphorus doped and defects engineered graphene for improved electrochemical sensing: synergistic effect of dopants and defects

    International Nuclear Information System (INIS)

    Chu, Ke; Wang, Fan; Tian, Ye; Wei, Zhen

    2017-01-01

    Heteroatom-doped graphene materials emerged as promising metal-free catalysts have recently attracted a growing interest in electrochemical sensing applications. However, their catalytic activity and sensing performances still need to be further improved. Herein, we reported the development of unique phosphorus (P)-doped and plasma-etched graphene (denoted as PG-E) as an efficient metal-free electrocatalyst for dopamine (DA) sensing. It was demonstrated that introducing both P-dopants and plasma-engineered defects in graphene could synergistically improve the activity toward electrocatalytic oxidation of DA by increasing the accessible active sites and promoting the electron transport capability. The resulting PG-E modified electrode showed exceptional DA sensing performances with low detection limit, high selectivity and good stability. These results suggested that the synergistic effect of dopants and defects might be an important factor for developing the advanced graphene-based metal-free catalysts for electrochemical sensing.

  17. Lattice site location of electrical dopant impurities in group-III nitrides

    CERN Document Server

    Amorim, Lígia; Temst, Kristiaan; Wahl, Ulrich

    Dopants are impurities introduced in semiconductors in small quantities to tailor the material characteristics, the effects of which depend on the exact site the dopant occupies in the crystal lattice. The lattice location of impurities is, thus, crucial for the overall understanding of the semiconductor characteristics. In general, several techniques can be used to investigate the lattice site of an impurity, the most accurate and dedicated being emission channeling. However, a characteristic of this technique is that it requires the implantation of radioactive probes, usually created and accelerated in a radioactive ion beam facility. In some cases, emission channeling might however be the only technique capable to investigate the lattice sites occupied by the impurity atoms, provided an appropriate isotope for this technique can be used. For instance, the use of other methods such as Rutherford backscattering spectrometry, perturbed angular correlations, Mössbauer spectroscopy and extended X-ray absorptio...

  18. Application of dopant-free hole transport materials for perovskite solar cells

    International Nuclear Information System (INIS)

    Franckevincius, M.; Gulbinas, V.; Gratzel, M.; Zakeeruddin, S.; Pauerle, P.; Mishra, A.; Steck, C.

    2015-01-01

    In this work we present the synthesis, characterization and application of a series of additive and dopant free hole transport materials (HTM) for solid-state perovskite-based solar cells. Newly synthesized HTMs showed strong absorption in the visible spectral range and suitable HOMO-LUMO energy levels for the application for methylammonium lead(II) iodide (CH_3NH_3PbI_3) perovskite. Dopant-free perovskite solar cells have been fabricated using CH_3NH_3PbI_3 perovskite and the newly synthesized HTMs following sequential deposition method, which allows us to reach power conversion efficiencies as high as 11.4 %. The easy of synthesis, low cost and relatively high performance of newly synthesized HTMs has great prospects for commercial applications in the near-future. (authors)

  19. Two-dimensional dopant profiling of gallium nitride p-n junctions by scanning capacitance microscopy

    Science.gov (United States)

    Lamhamdi, M.; Cayrel, F.; Frayssinet, E.; Bazin, A. E.; Yvon, A.; Collard, E.; Cordier, Y.; Alquier, D.

    2016-04-01

    Two-dimensional imaging of dopant profiles for n and p-type regions are relevant for the development of new power semiconductors, especially for gallium nitride (GaN) for which classical profiling techniques are not adapted. This is a challenging task since it needs a technique with simultaneously good sensitivity, high spatial resolution and high dopant gradient resolution. To face these challenges, scanning capacitance microscopy combined with Atomic Force Microscopy is a good candidate, presenting reproducible results, as demonstrated in literature. In this work, we attempt to distinguish reliably and qualitatively the various doping concentrations and type at p-n and unipolar junctions. For both p-n and unipolar junctions three kinds of samples were prepared and measured separately. The space-charge region of the p-n metallurgical junction, giving rise to different contrasts under SCM imaging, is clearly observed, enlightening the interest of the SCM technique.

  20. Dopant-Modulating Mechanism of Lithium Adsorption and Diffusion at the Graphene /Li2S Interface

    Science.gov (United States)

    Guo, Lichao; Li, Jiajun; Wang, Huayu; Zhao, Naiqin; Shi, Chunsheng; Ma, Liying; He, Chunnian; He, Fang; Liu, Enzuo

    2018-02-01

    Graphene modification is one of the most effective routes to enhance the electrochemical properties of the transition-metal sulfide anode for Li-ion batteries and the Li2S cathode for Li-S batteries. Boron, nitrogen, oxygen, phosphorus, and sulfur doping greatly affect the electrochemical properties of Li2S /graphene . Here, we investigate the interfacial binding energy, lithium adsorption energy, interface diffusion barrier, and electronic structure by first-principles calculations to unveil the diverse effects of different dopants during interfacial lithiation reactions. The interfacial lithium storage follows the pseudocapacitylike mechanism with intercalation character. Two different mechanisms are revealed to enhance the interfacial lithium adsorption and diffusion, which are the electron-deficiency host doping and the vacancylike structure evolutions with bond breaking. The synergistic effect between different dopants with diverse doping effects is also proposed. The results give a theoretical basis for the materials design with doped graphene as advanced materials modification for energy storage.

  1. High-resolution three-dimensional mapping of semiconductor dopant potentials

    DEFF Research Database (Denmark)

    Twitchett, AC; Yates, TJV; Newcomb, SB

    2007-01-01

    Semiconductor device structures are becoming increasingly three-dimensional at the nanometer scale. A key issue that must be addressed to enable future device development is the three-dimensional mapping of dopant distributions, ideally under "working conditions". Here we demonstrate how a combin......Semiconductor device structures are becoming increasingly three-dimensional at the nanometer scale. A key issue that must be addressed to enable future device development is the three-dimensional mapping of dopant distributions, ideally under "working conditions". Here we demonstrate how...... a combination of electron holography and electron tomography can be used to determine quantitatively the three-dimensional electrostatic potential in an electrically biased semiconductor device with nanometer spatial resolution....

  2. Two-dimensional dopant profiling of gallium nitride p–n junctions by scanning capacitance microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lamhamdi, M. [GREMAN UMR 7347-Université de Tours, 10 Rue Thales de Milet, BP 7155, 37071 Tours (France); Ecole national des sciences appliquées khouribga, Université Hassan 1er, 26000 Settat (Morocco); Cayrel, F. [GREMAN UMR 7347-Université de Tours, 10 Rue Thales de Milet, BP 7155, 37071 Tours (France); Frayssinet, E. [CRHEA-CNRS, Rue Bernard Grégory, Sophia Antipolis, 06560 Valbonne (France); Bazin, A.E.; Yvon, A.; Collard, E. [STMicroelectronics, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours (France); Cordier, Y. [CRHEA-CNRS, Rue Bernard Grégory, Sophia Antipolis, 06560 Valbonne (France); Alquier, D. [GREMAN UMR 7347-Université de Tours, 10 Rue Thales de Milet, BP 7155, 37071 Tours (France)

    2016-04-01

    Two-dimensional imaging of dopant profiles for n and p-type regions are relevant for the development of new power semiconductors, especially for gallium nitride (GaN) for which classical profiling techniques are not adapted. This is a challenging task since it needs a technique with simultaneously good sensitivity, high spatial resolution and high dopant gradient resolution. To face these challenges, scanning capacitance microscopy combined with Atomic Force Microscopy is a good candidate, presenting reproducible results, as demonstrated in literature. In this work, we attempt to distinguish reliably and qualitatively the various doping concentrations and type at p–n and unipolar junctions. For both p–n and unipolar junctions three kinds of samples were prepared and measured separately. The space-charge region of the p–n metallurgical junction, giving rise to different contrasts under SCM imaging, is clearly observed, enlightening the interest of the SCM technique.

  3. Mechanism of dopant-vacancy association in α-quartz GeO2

    KAUST Repository

    Wang, Hao; Chroneos, Alexander; Schwingenschlö gl, Udo

    2013-01-01

    Improving the electron mobility of devices such as Ge metal oxide semiconductor field effect transistors requires good Ge/dielectric interfaces. GeO2 thus is reconsidered as a passivation layer for Ge. However, O-vacancies need to be controlled as they have a deleterious impact on the properties. We employ electronic structure calculations to investigate the introduction of trivalent ions (Al, Y, and La) in α-quartz GeO2. The binding energies of the dopant-vacancy pairs reveal that dopants can be used to control the O-vacancies and reduce the induced dangling bonds. It is proposed that the introduction of Al will limit the concentration of O-vacancies at low Fermi energy.

  4. Mechanism of dopant-vacancy association in α-quartz GeO2

    KAUST Repository

    Wang, Hao

    2013-02-28

    Improving the electron mobility of devices such as Ge metal oxide semiconductor field effect transistors requires good Ge/dielectric interfaces. GeO2 thus is reconsidered as a passivation layer for Ge. However, O-vacancies need to be controlled as they have a deleterious impact on the properties. We employ electronic structure calculations to investigate the introduction of trivalent ions (Al, Y, and La) in α-quartz GeO2. The binding energies of the dopant-vacancy pairs reveal that dopants can be used to control the O-vacancies and reduce the induced dangling bonds. It is proposed that the introduction of Al will limit the concentration of O-vacancies at low Fermi energy.

  5. MOS Capacitance—Voltage Characteristics II. Sensitivity of Electronic Trapping at Dopant Impurity from Parameter Variations

    International Nuclear Information System (INIS)

    Jie Binbin; Sah Chihtang

    2011-01-01

    Low-frequency and high-frequency Capacitance—Voltage (C—V) curves of Metal—Oxide—Semiconductor Capacitors (MOSC), including electron and hole trapping at the dopant donor and acceptor impurities, are presented to illustrate giant trapping capacitances, from > 0.01C OX to > 10C OX . Five device and materials parameters are varied for fundamental trapping parameter characterization, and electrical and optical signal processing applications. Parameters include spatially constant concentration of the dopant-donor-impurity electron trap, N DD , the ground state electron trapping energy level depth measured from the conduction band edge, E C –E D , the degeneracy of the trapped electron at the ground state, g D , the device temperature, T, and the gate oxide thickness, x OX . (invited papers)

  6. Three dimensional mapping of Fe dopants in ceria nanocrystals using direct spectroscopic electron tomography

    Energy Technology Data Exchange (ETDEWEB)

    Goris, Bart; Meledina, Maria; Turner, Stuart [EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Zhong, Zhichao [Centrum Wiskunde & Informatica, P.O. Box 94079, 1090 GB Amsterdam (Netherlands); Batenburg, K. Joost [Centrum Wiskunde & Informatica, P.O. Box 94079, 1090 GB Amsterdam (Netherlands); Mathematical Institute, Leiden University, Niels Bohrweg 1, 2333CA Leiden (Netherlands); Bals, Sara [EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium)

    2016-12-15

    Electron tomography is a powerful technique for the 3D characterization of the morphology of nanostructures. Nevertheless, resolving the chemical composition of complex nanostructures in 3D remains challenging and the number of studies in which electron energy loss spectroscopy (EELS) is combined with tomography is limited. During the last decade, dedicated reconstruction algorithms have been developed for HAADF-STEM tomography using prior knowledge about the investigated sample. Here, we will use the prior knowledge that the experimental spectrum of each reconstructed voxel is a linear combination of a well-known set of references spectra in a so-called direct spectroscopic tomography technique. Based on a simulation experiment, it is shown that this technique provides superior results in comparison to conventional reconstruction methods for spectroscopic data, especially for spectrum images containing a relatively low signal to noise ratio. Next, this technique is used to investigate the spatial distribution of Fe dopants in Fe:Ceria nanoparticles in 3D. It is shown that the presence of the Fe{sup 2+} dopants is correlated with a reduction of the Ce atoms from Ce{sup 4+} towards Ce{sup 3+}. In addition, it is demonstrated that most of the Fe dopants are located near the voids inside the nanoparticle. - Highlights: • A direct tomographic reconstruction technique is proposed for spectroscopic data. • Spectrum fitting is combined with a tomography reconstruction in a single step. • The technique yields superior results for data with a low signal to noise ratio. • The technique is applied to map Fe dopants in ceria nanoparticles.

  7. One- and two-dimensional dopant/carrier profiling for ULSI

    Science.gov (United States)

    Vandervorst, W.; Clarysse, T.; De Wolf, P.; Trenkler, T.; Hantschel, T.; Stephenson, R.; Janssens, T.

    1998-11-01

    Dopant/carrier profiles constitute the basis of the operation of a semiconductor device and thus play a decisive role in the performance of a transistor and are subjected to the same scaling laws as the other constituents of a modern semiconductor device and continuously evolve towards shallower and more complex configurations. This evolution has increased the demands on the profiling techniques in particular in terms of resolution and quantification such that a constant reevaluation and improvement of the tools is required. As no single technique provides all the necessary information (dopant distribution, electrical activation,..) with the requested spatial and depth resolution, the present paper attempts to provide an assessment of those tools which can be considered as the main metrology technologies for ULSI-applications. For 1D-dopant profiling secondary ion mass spectrometry (SIMS) has progressed towards a generally accepted tool meeting the requirements. For 1D-carrier profiling spreading resistance profiling and microwave surface impedance profiling are envisaged as the best choices but extra developments are required to promote them to routinely applicable methods. As no main metrology tool exist for 2D-dopant profiling, main emphasis is on 2D-carrier profiling tools based on scanning probe microscopy. Scanning spreading resistance (SSRM) and scanning capacitance microscopy (SCM) are the preferred methods although neither of them already meets all the requirements. Complementary information can be extracted from Nanopotentiometry which samples the device operation in more detail. Concurrent use of carrier profiling tools, Nanopotentiometry, analysis of device characteristics and simulations is required to provide a complete characterization of deep submicron devices.

  8. Synthesis of Some Green Dopants for OLEDs Based on Arylamine 2,3-disubstituted Bithiophene Derivatives

    Directory of Open Access Journals (Sweden)

    Mi-Seon Song

    2013-11-01

    Full Text Available A series of green dopants based on 2,2-diphenylvinyl end-capped bithiophene and three different arylamine moieties (9-phenylcarbazole, triphenylamine, and N,N’-di-(p-tolylbenzeneamine were successfully synthesized by the Suzuki and Wittig coupling reactions. The photophysical properties of these compounds are reported. The strongest PL emitting compound with the 9-phenylcarbazole moiety has been used for fabricating an OLED device with good overall performance.

  9. Direct imaging of dopant distribution in polycrystalline ZnO films

    Czech Academy of Sciences Publication Activity Database

    Lorenzo, F.; Aebersold, A.B.; Morales-Masis, M.; Ledinský, Martin; Escrig, S.; Vetushka, Aliaksi; Alexander, D.T.L.; Hessler-Wyser, A.; Fejfar, Antonín; Hébert, C.; Nicolay, S.; Ballif, C.

    2017-01-01

    Roč. 9, č. 8 (2017), s. 7241-7248 ISSN 1944-8244 R&D Projects: GA ČR GC16-10429J Institutional support: RVO:68378271 Keywords : dopant distribution * film polarity * grain boundaries * NanoSIMS * polycrystalline film * zinc oxide Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 7.504, year: 2016

  10. Influence of photochemical transformations upon optic-spectral characteristics of iodine cadmium crystals with copper dopant

    International Nuclear Information System (INIS)

    Novosad, S.S.

    2000-01-01

    The influence of photochemical transformations upon absorption. X-ray, photo- and thermostimulated luminescence of crystals CdI 2 :CuI, CdI 2 :CuI and CdI 2 :CuO grown by Stockbarger - Czochralski method has been studied. The photochemical reactions in crystals of iodine cadmium with the dopant of copper leads to reducing the intensity of X-ray, photo- and thermostimulated luminescence, the appearance of new luminescent centers is not observed

  11. Imaging of dopant distribution in optical fibers with an orthogonal TOF SIMS

    Czech Academy of Sciences Publication Activity Database

    Lorinčík, Jan; Kašík, Ivan; Vaniš, Jan; Sedláček, L.; Dluhoš, J.

    2014-01-01

    Roč. 46, č. 1 (2014), s. 238-240 ISSN 0142-2421. [19th International Conference on Secondary Ion Mass Spectrometry ( SIMS ). Jeju, 29.09.2013-04.10.2013] Grant - others:GA AV ČR(CZ) M100761202 Institutional support: RVO:67985882 Keywords : TOF SIMS * Optical fibers * Dopant Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.245, year: 2014

  12. Effect of metallic dopants on the microstructure and mechanical properties of TiB2

    Czech Academy of Sciences Publication Activity Database

    Chlup, Zdeněk; Bača, L.; Halasová, Martina; Neubauer, E.; Hadraba, Hynek; Stelzer, N.; Roupcová, Pavla

    2015-01-01

    Roč. 35, č. 10 (2015), s. 2745-2754 ISSN 0955-2219 R&D Projects: GA ČR(CZ) GAP108/11/1644; GA MŠk(CZ) ED1.1.00/02.0068 Grant - others:The Austrian Research Promotion Agency (FFG)(AT) 834287 Institutional support: RVO:68081723 Keywords : Titanium diboride * Metallic dopants * Microstructure * Mechanical properties * Fracture behaviour1 Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 2.933, year: 2015

  13. An insight into the dopant selection for CeO2-based resistive-switching memory system: a DFT and experimental study

    Science.gov (United States)

    Hussain, Fayyaz; Imran, Muhammad; Rana, Anwar Manzoor; Khalil, R. M. Arif; Khera, Ejaz Ahmad; Kiran, Saira; Javid, M. Arshad; Sattar, M. Atif; Ismail, Muhammad

    2018-03-01

    The aim of this study is to figure out better metal dopants for CeO2 for designing highly efficient non-volatile memory (NVM) devices. The present DFT work involves four different metals doped interstitially and substitutionally in CeO2 thin films. First principle calculations involve electron density of states (DOS) and partial density of states (PDOS), and isosurface charge densities are carried out within the plane-wave density functional theory using GGA and GGA + U approach by employing the Vienna ab initio simulation package VASP. Isosurface charge density plots confirmed that interstitial doping of Zr and Ti metals truly assists in generating conduction filaments (CFs), while substitutional doping of these metals cannot do so. Substitutional doping of W may contribute in generating CFs in CeO2 directly, but its interstitial doping improves conductivity of CeO2. However, Ni-dopant is capable of directly generating CFs both as substitutional and interstitial dopants in ceria. Such a capability of Ni appears acting as top electrode in Ni/CeO2/Pt memory devices, but its RS behavior is not so good. On inserting Zr layer to make Ni/Zr:CeO2/Pt memory stacks, Ni does not contribute in RS characteristics, but Zr plays a vital role in forming CFs by creating oxygen vacancies and forming ZrO2 interfacial layer. Therefore, Zr-doped devices exhibit high-resistance ratio of 104 and good endurance as compared to undoped devices suitable for RRAM applications.

  14. Influence of pentavalent dopant addition to polarization and bioactivity of hydroxyapatite

    International Nuclear Information System (INIS)

    Dhal, Jharana; Bose, Susmita; Bandyopadhyay, Amit

    2013-01-01

    Influence of pentavalent tantalum doping in bulk hydroxyapatite (HAp) ceramics has been investigated for polarizability and bioactivity. Phase analysis from X-ray diffraction measurement indicates that increasing dopant concentration decreased the amount of HAp phase and increased β-TCP and/or α-TCP phases during sintering at 1250 °C in a muffle furnace. Results from thermally stimulated depolarization current (TSDC) measurements showed that doping hindered charge storage ability in HAp ceramics, and doped samples stored fewer charge compared to pure HAp. However, doping enhanced wettability of HAp samples, which was improved further due to polarization. In vitro human osteoblast cell–material interaction study revealed an increase in bioactivity due to dopant addition and polarization compared to pure HAp. This increase in bioactivity was attributed to the increase in wettability due to surface charge and dopant addition. - Highlights: • Tantalum doping makes HAp unstable during sintering at 1250 °C and forms TCP. • Tantalum doping reduces charge storage ability of HAp ceramics. • Even with lower charge storage ability tantalum doping improves wettability. • Tantalum doping enhances bioactivity of calcium phosphate based sintered compacts

  15. Dopant effects on charge transport to enhance performance of phosphorescent white organic light emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Liping; Chen, Jiangshan; Ma, Dongge, E-mail: mdg1014@ciac.ac.cn [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Changchun 130022 (China)

    2015-11-07

    We compared the performance of phosphorescent white organic light emitting diodes (WOLEDs) with red-blue-green and green-blue-red sequent emissive layers. It was found that the influence of red and green dopants on electron and hole transport in emissive layers leads to the large difference in the efficiency of fabricated WOLEDs. This improvement mechanism is well investigated by the current density-voltage characteristics of single-carrier devices based on dopant doped emissive layers and the comparison of electroluminescent and photoluminescence spectra, and attributed to the different change of charge carrier transport by the dopants. The optimized device achieves a maximum power efficiency, current efficiency, and external quantum efficiency of 37.0 lm/W, 38.7 cd/A, and 17.7%, respectively, which are only reduced to 32.8 lm/W, 38.5 cd/A, and 17.3% at 1000 cd/m{sup 2} luminance. The critical current density is as high as 210 mA/cm{sup 2}. It can be seen that the efficiency roll-off in phosphorescent WOLEDs can be well improved by effectively designing the structure of emissive layers.

  16. n-Dopants Based on Dimers of Benzimidazoline Radicals: Structures and Mechanism of Redox Reactions.

    Science.gov (United States)

    Zhang, Siyuan; Naab, Benjamin D; Jucov, Evgheni V; Parkin, Sean; Evans, Eric G B; Millhauser, Glenn L; Timofeeva, Tatiana V; Risko, Chad; Brédas, Jean-Luc; Bao, Zhenan; Barlow, Stephen; Marder, Seth R

    2015-07-20

    Dimers of 2-substituted N,N'-dimethylbenzimidazoline radicals, (2-Y-DMBI)2 (Y=cyclohexyl (Cyc), ferrocenyl (Fc), ruthenocenyl (Rc)), have recently been reported as n-dopants for organic semiconductors. Here their structural and energetic characteristics are reported, along with the mechanisms by which they react with acceptors, A (PCBM, TIPS-pentacene), in solution. X-ray data and DFT calculations both indicate a longer C-C bond for (2-Cyc-DMBI)2 than (2-Fc-DMBI)2 , yet DFT and ESR data show that the latter dissociates more readily due to stabilization of the radical by Fc. Depending on the energetics of dimer (D2 ) dissociation and of D2 -to-A electron transfer, D2 reacts with A to form D(+) and A(-) by either of two mechanisms, differing in whether the first step is endergonic dissociation or endergonic electron transfer. However, the D(+) /0.5 D2 redox potentials-the effective reducing strengths of the dimers-vary little within the series (ca. -1.9 V vs. FeCp2 (+/0) ) (Cp=cyclopentadienyl) due to cancelation of trends in the D(+/0) potential and D2 dissociation energy. The implications of these findings for use of these dimers as n-dopants, and for future dopant design, are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Two dimensional dopant diffusion study by scanning capacitance microscopy and TSUPREM IV process simulation

    International Nuclear Information System (INIS)

    Kim, J.; McMurray, J. S.; Williams, C. C.; Slinkman, J.

    1998-01-01

    We report the results of a 2-step two-dimensional (2D) diffusion study by Scanning Capacitance Microscopy (SCM) and 2D TSUPREM IV process simulation. A quantitative 2D dopant profile of gate-like structures consisting heavily implanted n+ regions separated by a lighter doped n-type region underneath 0.56 μm gates is measured with the SCM. The SCM is operated in the constant-change-in-capacitance mode. The 2-D SCM data is converted to dopant density through a physical model of the SCM/silicon interaction. This profile has been directly compared with 2D TSUPREM IV process simulation and used to calibrate the simulation parameters. The sample is then further subjected to an additional diffusion in a furnace for 80 minutes at 1000C. The SCM measurement is repeated on the diffused sample. This final 2D dopant profile is compared with a TSUPREM IV process simulation tuned to fit the earlier profile with no change in the parameters except the temperature and time for the additional diffusion. Our results indicate that there is still a significant disagreement between the two profiles in the lateral direction. TSUPREM IV simulation considerably underestimates the diffusion under the gate region

  18. Predicting Low Energy Dopant Implant Profiles in Semiconductors using Molecular Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Beardmore, K.M.; Gronbech-Jensen, N.

    1999-05-02

    The authors present a highly efficient molecular dynamics scheme for calculating dopant density profiles in group-IV alloy, and III-V zinc blende structure materials. Their scheme incorporates several necessary methods for reducing computational overhead, plus a rare event algorithm to give statistical accuracy over several orders of magnitude change in the dopant concentration. The code uses a molecular dynamics (MD) model to describe ion-target interactions. Atomic interactions are described by a combination of 'many-body' and pair specific screened Coulomb potentials. Accumulative damage is accounted for using a Kinchin-Pease type model, inelastic energy loss is represented by a Firsov expression, and electronic stopping is described by a modified Brandt-Kitagawa model which contains a single adjustable ion-target dependent parameter. Thus, the program is easily extensible beyond a given validation range, and is therefore truly predictive over a wide range of implant energies and angles. The scheme is especially suited for calculating profiles due to low energy and to situations where a predictive capability is required with the minimum of experimental validation. They give examples of using the code to calculate concentration profiles and 2D 'point response' profiles of dopants in crystalline silicon and gallium-arsenide. Here they can predict the experimental profile over five orders of magnitude for <100> and <110> channeling and for non-channeling implants at energies up to hundreds of keV.

  19. The effect of random dopant fluctuation on threshold voltage and drain current variation in junctionless nanotransistors

    International Nuclear Information System (INIS)

    Rezapour, Arash; Rezapour, Pegah

    2015-01-01

    We investigate the effect of dopant random fluctuation on threshold voltage and drain current variation in a two-gate nanoscale transistor. We used a quantum-corrected technology computer aided design simulation to run the simulation (10000 randomizations). With this simulation, we could study the effects of varying the dimensions (length and width), and thicknesses of oxide and dopant factors of a transistor on the threshold voltage and drain current in subthreshold region (off) and overthreshold (on). It was found that in the subthreshold region the variability of the drain current and threshold voltage is relatively fixed while in the overthreshold region the variability of the threshold voltage and drain current decreases remarkably, despite the slight reduction of gate voltage diffusion (compared with that of the subthreshold). These results have been interpreted by using previously reported models for threshold current variability, load displacement, and simple analytical calculations. Scaling analysis shows that the variability of the characteristics of this semiconductor increases as the effects of the short channel increases. Therefore, with a slight increase of length and a reduction of width, oxide thickness, and dopant factor, we could correct the effect of the short channel. (paper)

  20. Color optimization of single emissive white OLEDs via energy transfer between RGB fluorescent dopants

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Nam Ho; Kim, You-Hyun; Yoon, Ju-An; Lee, Sang Youn [Department of Green Energy and Semiconductor Engineering, Hoseo University, Asan (Korea, Republic of); Ryu, Dae Hyun [Department of Information Technology, Hansei University, Gunpo (Korea, Republic of); Wood, Richard [Department of Engineering Physics, McMaster University, Hamilton, Ontario, Canada L8S 4L7 (Canada); Moon, C.-B. [Department of Green Energy and Semiconductor Engineering, Hoseo University, Asan (Korea, Republic of); Kim, Woo Young, E-mail: wykim@hoseo.edu [Department of Green Energy and Semiconductor Engineering, Hoseo University, Asan (Korea, Republic of); Department of Engineering Physics, McMaster University, Hamilton, Ontario, Canada L8S 4L7 (Canada)

    2013-11-15

    The electroluminescent characteristics of white organic light-emitting diodes (WOLEDs) were investigated including single emitting layer (SEL) with an ADN host and dopants; BCzVBi, C545T, and DCJTB for blue, green and red emission, respectively. The structure of the high efficiency WOLED device was; ITO/NPB(700 Å)/ADN: BCzVBi-7%:C545T-0.05%:DCJTB-0.1%(300 Å)/Bphen(300 Å)/Liq(20 Å)/Al(1200 Å) for mixing three primary colors. Luminous efficiency was 9.08 cd/A at 3.5 V and Commission Intenationale de L’eclairage (CIE{sub x,y}) coordinates of white emission was measured as (0.320, 0.338) at 8 V while simulated CIE{sub x,y} coordinates were (0.336, 0.324) via estimation from each dopant's PL spectrum. -- Highlights: • This paper observes single-emissive-layered white OLED using fluorescent dopants. • Electrical and optical properties are analyzed. • Color stability of white OLED is confirmed for new planar light source.

  1. New cyclometalated iridium(III) complex as a phosphorescent dopant in organic light emitting devices

    Science.gov (United States)

    Ivanov, P.; Tomova, R.; Petrova, P.; Stanimirov, S.; Petkov, I.

    2014-05-01

    A new cyclometalated iridium (III) bis[2-(4-chlorophenyl)benzothiazolato-N,C2]-acetylacetonate, (Cl-bt)2Ir(acac), was synthesized and identified by 1H NMR and elemental analysis. The application was studied of the new compound as a dopant in the hole transporting layer (HTL) of the following organic light emitting diode (OLED) structure: HTL/EL/ETL, where HTL was 4,4'-bis(9H-carbazol-9-yl)biphenyl (CBP) or N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD), incorporated in a poly(N-vinylcarbazole) (PVK) matrix; EL was an electroluminescent layer of bis(8-hydroxy-2-methylquinoline)-(4-phenylpheno-xy) aluminum (BAlq); and ETL was an electron-transporting layer of bis[2-(2-benzothiazoly) phenolato]zinc(II) (Zn(btz)2). We established that the electroluminescence spectra of the OLEDs at different dopant concentrations were basically the sum of the greenish-blue emission of BAlq and the yellowish-green emission of the Ir complex. It was also found that increasing the dopant concentration resulted in an increase in the relative electroluminescent intensity of the Ir complex emission, while that of BAlq decreased, thus a fine tuning of the OLED color was observed.

  2. n-Dopants Based on Dimers of Benzimidazoline Radicals: Structures and Mechanism of Redox Reactions

    KAUST Repository

    Zhang, Siyuan

    2015-06-18

    Dimers of 2-substituted N,N\\'-dimethylbenzimidazoline radicals, (2-Y-DMBI)2 (Y=cyclohexyl (Cyc), ferrocenyl (Fc), ruthenocenyl (Rc)), have recently been reported as n-dopants for organic semiconductors. Here their structural and energetic characteristics are reported, along with the mechanisms by which they react with acceptors, A (PCBM, TIPS-pentacene), in solution. X-ray data and DFT calculations both indicate a longer C-C bond for (2-Cyc-DMBI)2 than (2-Fc-DMBI)2, yet DFT and ESR data show that the latter dissociates more readily due to stabilization of the radical by Fc. Depending on the energetics of dimer (D2) dissociation and of D2-to-A electron transfer, D2 reacts with A to form D+ and A- by either of two mechanisms, differing in whether the first step is endergonic dissociation or endergonic electron transfer. However, the D+/0.5D2 redox potentials-the effective reducing strengths of the dimers-vary little within the series (ca. -1.9V vs. FeCp2+/0) (Cp=cyclopentadienyl) due to cancelation of trends in the D+/0 potential and D2 dissociation energy. The implications of these findings for use of these dimers as n-dopants, and for future dopant design, are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Spectroscopic diagnostics of NIF ICF implosions using line ratios of Kr dopant in the ignition capsule

    Science.gov (United States)

    Dasgupta, Arati; Ouart, Nicholas; Giuiani, John; Clark, Robert; Schneider, Marilyn; Scott, Howard; Chen, Hui; Ma, Tammy

    2017-10-01

    X ray spectroscopy is used on the NIF to diagnose the plasma conditions in the ignition target in indirect drive ICF implosions. A platform is being developed at NIF where small traces of krypton are used as a dopant to the fuel gas for spectroscopic diagnostics using krypton line emissions. The fraction of krypton dopant was varied in the experiments and was selected so as not to perturb the implosion. Our goal is to use X-ray spectroscopy of dopant line ratios produced by the hot core that can provide a precise measurement of electron temperature. Simulations of the krypton spectra using a 1 in 104 atomic fraction of krypton in direct-drive exploding pusher with a range of electron temperatures and densities show discrepancies when different atomic models are used. We use our non-LTE atomic model with a detailed fine-structure level atomic structure and collisional-radiative rates to investigate the krypton spectra at the same conditions. Synthetic spectra are generated with a detailed multi-frequency radiation transport scheme from the emission regions of interest to analyze the experimental data with 0.02% Kr concentration and compare and contrast with the existing simulations at LLNL. Work supported by DOE/NNSA; Part of this work was also done under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344.

  4. Electroluminescence of organic light-emitting diodes with an ultra-thin layer of dopant

    Energy Technology Data Exchange (ETDEWEB)

    Li Weizhi [State Key Lab of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China); Yu Junsheng [State Key Lab of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China)], E-mail: jsyu@uestc.edu.cn; Wang, Tao [State Key Lab of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China); Jiang, Yadong [State Key Lab of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China)], E-mail: jiangyd@uestc.edu.cn; Wei, Bangxiong [State Key Lab of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China)

    2008-03-15

    Conventional fluorescent dyes, i.e., 4-(dicyanomethylene)-2-t-butyl-6(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB), 5,12-dihydro-5,12-dimethylquino [2,3-b]acridine-7,14-dione (DMQA) and 5,6,11,12-tetraphenylnaphthacene (Rubrene), were used to investigate the performance of organic light-emitting diodes (OLEDs) based on indium tin oxide (ITO)/N,N'-bis-(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPB)/tris-(8-hydroxyquinolate)-aluminum (Alq{sub 3})/MgAg. The dyes were either inserted into devices as an ultra-thin film at the NPB/Alq{sub 3} interface by sequential evaporation, or doped into the Alq{sub 3} emission layer by co-evaporation with the doping ratio about 2%. Electroluminescence (EL) spectra of devices indicated that concentration quenching effect (CQE) of the dye-dopant was slightly bigger in the former than in the latter, while the degrees of CQE for three dopants are in the order of DMQA > DCJTB > Rubrene suggested by the difference in EL spectra and performances of devices. In addition, EL process of device with an ultra-thin layer of dopant is dominated by direct carrier trapping (DCT) process due to almost no holes recombine with electrons in Alq{sub 3}-host layer.

  5. Nanoarchitectonics for Controlling the Number of Dopant Atoms in Solid Electrolyte Nanodots.

    Science.gov (United States)

    Nayak, Alpana; Unayama, Satomi; Tai, Seishiro; Tsuruoka, Tohru; Waser, Rainer; Aono, Masakazu; Valov, Ilia; Hasegawa, Tsuyoshi

    2018-02-01

    Controlling movements of electrons and holes is the key task in developing today's highly sophisticated information society. As transistors reach their physical limits, the semiconductor industry is seeking the next alternative to sustain its economy and to unfold a new era of human civilization. In this context, a completely new information token, i.e., ions instead of electrons, is promising. The current trend in solid-state nanoionics for applications in energy storage, sensing, and brain-type information processing, requires the ability to control the properties of matter at the ultimate atomic scale. Here, a conceptually novel nanoarchitectonic strategy is proposed for controlling the number of dopant atoms in a solid electrolyte to obtain discrete electrical properties. Using α-Ag 2+ δ S nanodots with a finite number of nonstoichiometry excess dopants as a model system, a theory matched with experiments is presented that reveals the role of physical parameters, namely, the separation between electrochemical energy levels and the cohesive energy, underlying atomic-scale manipulation of dopants in nanodots. This strategy can be applied to different nanoscale materials as their properties strongly depend on the number of doping atoms/ions, and has the potential to create a new paradigm based on controlled single atom/ion transfer. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Color optimization of single emissive white OLEDs via energy transfer between RGB fluorescent dopants

    International Nuclear Information System (INIS)

    Kim, Nam Ho; Kim, You-Hyun; Yoon, Ju-An; Lee, Sang Youn; Ryu, Dae Hyun; Wood, Richard; Moon, C.-B.; Kim, Woo Young

    2013-01-01

    The electroluminescent characteristics of white organic light-emitting diodes (WOLEDs) were investigated including single emitting layer (SEL) with an ADN host and dopants; BCzVBi, C545T, and DCJTB for blue, green and red emission, respectively. The structure of the high efficiency WOLED device was; ITO/NPB(700 Å)/ADN: BCzVBi-7%:C545T-0.05%:DCJTB-0.1%(300 Å)/Bphen(300 Å)/Liq(20 Å)/Al(1200 Å) for mixing three primary colors. Luminous efficiency was 9.08 cd/A at 3.5 V and Commission Intenationale de L’eclairage (CIE x,y ) coordinates of white emission was measured as (0.320, 0.338) at 8 V while simulated CIE x,y coordinates were (0.336, 0.324) via estimation from each dopant's PL spectrum. -- Highlights: • This paper observes single-emissive-layered white OLED using fluorescent dopants. • Electrical and optical properties are analyzed. • Color stability of white OLED is confirmed for new planar light source

  7. n-Dopants Based on Dimers of Benzimidazoline Radicals: Structures and Mechanism of Redox Reactions

    KAUST Repository

    Zhang, Siyuan; Naab, Benjamin D.; Jucov, Evgheni V.; Parkin, Sean; Evans, Eric G B; Millhauser, Glenn L.; Timofeeva, Tatiana V.; Risko, Chad; Bredas, Jean-Luc; Bao, Zhenan; Barlow, Stephen; Marder, Seth R.

    2015-01-01

    Dimers of 2-substituted N,N'-dimethylbenzimidazoline radicals, (2-Y-DMBI)2 (Y=cyclohexyl (Cyc), ferrocenyl (Fc), ruthenocenyl (Rc)), have recently been reported as n-dopants for organic semiconductors. Here their structural and energetic characteristics are reported, along with the mechanisms by which they react with acceptors, A (PCBM, TIPS-pentacene), in solution. X-ray data and DFT calculations both indicate a longer C-C bond for (2-Cyc-DMBI)2 than (2-Fc-DMBI)2, yet DFT and ESR data show that the latter dissociates more readily due to stabilization of the radical by Fc. Depending on the energetics of dimer (D2) dissociation and of D2-to-A electron transfer, D2 reacts with A to form D+ and A- by either of two mechanisms, differing in whether the first step is endergonic dissociation or endergonic electron transfer. However, the D+/0.5D2 redox potentials-the effective reducing strengths of the dimers-vary little within the series (ca. -1.9V vs. FeCp2+/0) (Cp=cyclopentadienyl) due to cancelation of trends in the D+/0 potential and D2 dissociation energy. The implications of these findings for use of these dimers as n-dopants, and for future dopant design, are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Invalidity of the Fermi liquid theory and magnetic phase transition in quasi-1D dopant-induced armchair-edged graphene nanoribbons

    Science.gov (United States)

    Hoi, Bui Dinh; Davoudiniya, Masoumeh; Yarmohammadi, Mohsen

    2018-04-01

    Based on theoretically tight-binding calculations considering nearest neighbors and Green's function technique, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons with width ranging from 9.83 Å to 69.3 Å would be observed in the presence of injecting electrons by doping. This transition is explained by the temperature-dependent static charge susceptibility through calculation of the correlation function of charge density operators. This work showed that charge concentration of dopants in such system plays a crucial role in determining the magnetic phase. A variety of multicritical points such as transition temperatures and maximum susceptibility are compared in undoped and doped cases. Our findings show that there exist two different transition temperatures and maximum susceptibility depending on the ribbon width in doped structures. Another remarkable point refers to the invalidity (validity) of the Fermi liquid theory in nanoribbons-based systems at weak (strong) concentration of dopants. The obtained interesting results of magnetic phase transition in such system create a new potential for magnetic graphene nanoribbon-based devices.

  9. Application of real space Kerker method in simulating gate-all-around nanowire transistors with realistic discrete dopants*

    International Nuclear Information System (INIS)

    Li Chang-Sheng; Ma Lei; Guo Jie-Rong

    2017-01-01

    We adopt a self-consistent real space Kerker method to prevent the divergence from charge sloshing in the simulating transistors with realistic discrete dopants in the source and drain regions. The method achieves efficient convergence by avoiding unrealistic long range charge sloshing but keeping effects from short range charge sloshing. Numerical results show that discrete dopants in the source and drain regions could have a bigger influence on the electrical variability than the usual continuous doping without considering charge sloshing. Few discrete dopants and the narrow geometry create a situation with short range Coulomb screening and oscillations of charge density in real space. The dopants induced quasi-localized defect modes in the source region experience short range oscillations in order to reach the drain end of the device. The charging of the defect modes and the oscillations of the charge density are identified by the simulation of the electron density. (paper)

  10. Thermoluminescence glow curve for UV induced ZrO2:Ti phosphor with variable concentration of dopant and various heating rate

    Directory of Open Access Journals (Sweden)

    Neha Tiwari

    2014-10-01

    Full Text Available The present paper reports the synthesis and characterization of Ti doped ZrO2 nanophosphors. The effects of variable concentration of titanium on thermoluminescence (TL behaviour are studied. The samples were prepared by combustion a synthesis technique which is suitable for less time taking techniques also for large scale production for nano phosphors. The starting material used for sample preparation are Zr(NO33 and Ti(NO33 and urea used as a fuel. The prepared sample was characterized by X-ray diffraction technique (XRD with variable concentration of Ti (0.05–0.5 mol% there is no any phase change found with increase the concentration of Ti. Sample shows cubic structure and the particle size calculated by Scherer's formula. The surface morphology of prepared phosphor was determined by field emission gun scanning electron microscopy (FEGSEM technique for optimized concentration of dopant. The good connectivity with grains and the semi-sphere like structure was found by FEGSEM. The functional group analysis was determined by Fourier transform infrared (FTIR spectroscopic techniques. The prepared phosphor examined by thermoluminescence technique. For recording TL glow curve every time 2 mg phosphor was irradiated by UV 254 nm source and fixed the heating rate at 5 °C s−1. Sample shows well resolved peak at 167 °C with a shoulder peak at 376 °C. The higher temperature peak shows the well stability and less fading in prepared phosphor. Also the effect of Ti concentration at fixed UV exposure time was studied. The effect of UV exposure time and dose versus intensity plot was studied. Sample shows linear response with dose and broaden peak with high temperature shows the more stability and less fading in TL glow curve. The linear dose response, high stability and less fading phenomenon shows the sample may be useful for thermoluminescence dosimetry application. Trapping parameters are calculated for every recorded glow curve. The

  11. Coupling of erbium dopants to yttrium orthosilicate photonic crystal cavities for on-chip optical quantum memories

    Energy Technology Data Exchange (ETDEWEB)

    Miyazono, Evan; Zhong, Tian; Craiciu, Ioana; Kindem, Jonathan M.; Faraon, Andrei, E-mail: faraon@caltech.edu [T. J. Watson Laboratory of Applied Physics, California Institute of Technology, 1200 E California Blvd, Pasadena, California 91125 (United States)

    2016-01-04

    Erbium dopants in crystals exhibit highly coherent optical transitions well suited for solid-state optical quantum memories operating in the telecom band. Here, we demonstrate coupling of erbium dopant ions in yttrium orthosilicate to a photonic crystal cavity fabricated directly in the host crystal using focused ion beam milling. The coupling leads to reduction of the photoluminescence lifetime and enhancement of the optical depth in microns-long devices, which will enable on-chip quantum memories.

  12. Self-assembling nano-diameter needlelike pinning centers in YBCO, utilizing a foreign element dopant

    Energy Technology Data Exchange (ETDEWEB)

    Sawh, Ravi-Persad [Texas Center for Superconductivity and Physics Department, University of Houston, 632 Science and Research Bldg 1, Houston Texas 77204-5005 (United States); Weinstein, Roy [Texas Center for Superconductivity and Physics Department, University of Houston, 632 Science and Research Bldg 1, Houston Texas 77204-5005 (United States); Obot, Victor [Department of Mathematics, Texas Southern University, 3100 Cleburne St, Houston Texas 77004-4597 (United States); Parks, Drew [Texas Center for Superconductivity and Physics Department, University of Houston, 632 Science and Research Bldg 1, Houston Texas 77204-5005 (United States); Gandini, Alberto [Texas Center for Superconductivity and Physics Department, University of Houston, 632 Science and Research Bldg 1, Houston Texas 77204-5005 (United States); Skorpenske, Harley [Texas Center for Superconductivity and Physics Department, University of Houston, 632 Science and Research Bldg 1, Houston Texas 77204-5005 (United States)

    2006-06-01

    Although pinning centers created by irradiation presently produce the highest J{sub c}, it is probable that ultimately these will be emulated by chemical pinning centers. The best pinning centers produced by irradiation nevertheless provide guidelines for desirable morphology of chemical pinning structures. The highest J{sub c} produced earlier in textured HTS was obtained using isotropic high-energy ions produced by fission of {sup 235}U. This so-called U/n process produces pinning centers of diameter {<=} 4.5 nm, with an effective length of {approx}2.7 {mu}m. Maximum J{sub c} occurs for pinning center density of {approx}10{sup 10} cm{sup -3}. We use this as a model for desired chemical pinning centers. Our approach to introducing chemical pinning centers has been to produce precipitates within the HTS containing elements not native to the HTS, and to seek needlelike (columnar) deposits of small diameter. We report here on the formation of needlelike or columnar deposits in textured Y123 containing a dopant foreign to Y123. It serves as a demonstration that self-assembling nanometer diameter columns utilizing a dopant foreign to the HTS system are a feasible goal. These deposits, however, do not fully meet the ultimate requirements of pinning centers because the desired deposits should be smaller. The self-assembling columns formed contain titanium, are {approx}500 nm in diameter, and up to 10 {mu}m long. The size and morphology of the deposits vary with the mass of admixed Ti dopant. J{sub c} is decreased for small dopant mass. At larger dopant masses needlelike precipitates form, and J{sub c} increases again. A small range of mass of admixed Ti exists in which J{sub c} is enhanced by pinning. In the range of admixed Ti mass studied in these experiments there is a negligible effect on T{sub c}. Magnetization studies of J{sub c} are also reported.

  13. Study of the chlorine as dopant in synthesized polymers by plasma; Estudio del cloro como dopante en polimeros sintetizados por plasma

    Energy Technology Data Exchange (ETDEWEB)

    Vasquez, M.; Cruz, G.; Olayo, M.G. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico); Timoshina, T. [ESIQIE, IPN, 07738 Mexico D.F. (Mexico); Morales, J.; Olayo, R. [UAM-I, 09340 Mexico D.F. (Mexico)

    2003-07-01

    In the search of new and better dopants for semiconductor polymers, in this work the synthesis by plasma and the characterization of two doped polymers with chlorine, Pyrrole (PPy) and Thiophene (PTh) is presented. The characterization of the polymers it was carried out by FT-lR, it shows the C-Cl vibration that it is confirmed with the X-ray photoelectron spectroscopy technique (XPS). The elementary analysis shows a greater quantity of Cl in the PTh-CI compared with PPy-CI. However, this effect is not reflected in the electric conductivity since the PTh-Cl presents a lightly greater conductivity than the PPy-CI. SEM shows a formed structure of small agglomerated spheres of different size. (Author)

  14. Semiempirical and DFT computations of the influence of Tb(III) dopant on unit cell dimensions of cerium(III) fluoride.

    Science.gov (United States)

    Shyichuk, Andrii; Runowski, Marcin; Lis, Stefan; Kaczkowski, Jakub; Jezierski, Andrzej

    2015-01-30

    Several computational methods, both semiempirical and ab initio, were used to study the influence of the amount of dopant on crystal cell dimensions of CeF3 doped with Tb(3+) ions (CeF3 :Tb(3+) ). AM1, RM1, PM3, PM6, and PM7 semiempirical parameterization models were used, while the Sparkle model was used to represent the lanthanide cations in all cases. Ab initio calculations were performed by means of GGA+U/PBE projector augmented wave density functional theory. The computational results agree well with the experimental data. According to both computation and experiment, the crystal cell parameters undergo a linear decrease with increasing amount of the dopant. The computations performed using Sparkle/PM3 and DFT methods resulted in the best agreement with the experiment with the average deviation of about 1% in both cases. Typical Sparkle/PM3 computation on a 2×2×2 supercell of CeF3:Tb3+ lasted about two orders of magnitude shorter than the DFT computation concerning a unit cell of this material. © 2014 Wiley Periodicals, Inc.

  15. Effects of Dopant on the Dielectric Properties of CaZrO3 Ceramic Sintered in a Reducing Atmosphere

    Science.gov (United States)

    Lee, W. S.; Su, C. Y.; Lee, Y. C.; Lin, S. P.; Yang, Tony

    2006-07-01

    In this study, the influence of CaZrO3 doped with three dopants, SiO2, MnO, and Nb2O5, and then sintered in a reducing atmosphere on microstructure, phase formation, and electrical properties is investigated. SiO2 plays the role of sintering aid to enhance the density of CaZrO3 leading to better performance of electrical properties as a function of SiO2 content. MnO, and Nb2O5 were incorporated into the Zr-site of CaZrO3 to make stoichometric CaZrO3 into non-stoichiometric CaZrO3 with Zr excess resulting in the formation of a second phase, CaZr4O9, which has a lower dielectric constant (13) in comparison with that of the main phase of CaZrO3 (32). Thus, the dielectric constant of CaZrO3 doped with Nb2O5, or MnO is decreased markedly. In addition, Mn+2 incorporated into Zr-sites of CaZrO3 plays the role of acceptor, which compensates for the number of conduction electrons and contributes to better performance of electrical properties such as insulation resistance and \\tanδ. Conversely, Nb+5 incorporated into Zr-sites of CaZrO3 plays the role of donor and provides more conduction electrons, leading to poor performance of electrical properties.

  16. Facile fabrication of superhydrophobic flower-like polyaniline architectures by using valine as a dopant in polymerization

    Science.gov (United States)

    Sun, Jun; Bi, Hong

    2012-03-01

    A facile method was developed to fabricate superhydrophobic, flower-like polyanline (PANI) architectures with hierarchical nanostructures by adding valine in polymerization as a dopant. The water contact angle of the prepared PANI film was measured to be 155.3°, and the hydrophobic surface of the PANI architectures can be tuned easily by varying the polymerization time as well as valine doping quantity. It is believed that valine plays an important role in not only growth of the hierarchical PANI structures but also formation of the superhydrophobic surface, for it provides functional groups such as sbnd COOH, sbnd NH2 and a hydrophobic terminal group which may further increase intra-/inter-molecular interactions including hydrogen bonding, π-π stacking and hydrophobic properties. Similar flower-like PANI architectures have been prepared successfully by employing other amino acids such as threonine, proline and arginine. This method makes it possible for widespread applications of superhydrophobic PANI film due to its simplicity and practicability.

  17. Modulation of the acidity of niobic acid by ion-doping: Effects of nature and amount of the dopant ions

    Energy Technology Data Exchange (ETDEWEB)

    Carniti, Paolo [Dipartimento di Chimica, Università degli Studi di Milano (UNIMI), Milano (Italy); Gervasini, Antonella, E-mail: antonella.gervasini@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano (UNIMI), Milano (Italy); Marzo, Matteo [Dipartimento di Chimica, Università degli Studi di Milano (UNIMI), Milano (Italy); Auroux, Aline [Université Lyon 1, CNRS, UMR 5256, (IRCELYON), Villeurbanne (France)

    2013-09-10

    Highlights: ► Mitigation of the surface acidity of niobic acid was pursued by K-, Ba-, and Nd-doping. ► Thermal techniques of study were effective for the acidity study. ► The nature of the dopant influences the effectiveness of the acidity tuning of niobic acid. ► The acidity of the doped surfaces decreased with increasing the dopant species added to niobic acid. ► The samples showed different acidity when measured in gas–solid phase (intrinsic acidity) and water (effective acidity). - Abstract: The acidity of niobic acid (NBO) has been successfully mitigated and tuned by addition of K{sup +}, Ba{sup 2+} and Nd{sup 3+} dopant species in amounts from 1 to 15 atom nm{sup −2}. The characterization of the intrinsic acid properties of the samples was performed by adsorption of NH{sub 3} in a volumetric–microcalorimetric coupled line and by temperature programmed desorption (TPD) of 2-phenylethylamine in a thermogravimetric apparatus. The K-dopant was more effective in decreasing the acidity of niobic acid than the Ba- and Nd-dopants. Complementary measurements of the effective acidity of the samples in water by base titrations with 2-phenylethylamine completed the study and revealed a different picture of the effect of the three dopants on the NBO acidity in water. All the results indicated that the K-dopant targeted more selectively the Brønsted acid sites, acting as an ion-exchanger, while Ba- and Nd-species predominantly acted on the Lewis acid sites of the NBO surface.

  18. Exciton-dopant and exciton-charge interactions in electronically doped OLEDs

    International Nuclear Information System (INIS)

    Williams, Christopher; Lee, Sergey; Ferraris, John; Zakhidov, A. Anvar

    2004-01-01

    The electronic dopants, like tetrafluorocyanoquinodimethane (F 4 -TCNQ) molecules, used for p-doping of hole transport layers in organic light-emitting diodes (OLEDs) are found to quench the electroluminescence (EL) if they diffuse into the emissive layer. We observed EL quenching in OLED with F 4 -TCNQ doped N,N'-diphenyl-N'N'-bis(1-naphthyl)-1,1'-biphenyl-4,4'-diamine hole transport layer at large dopant concentrations, >5%. To separate the effects of exciton-dopant quenching, from exciton-polaron quenching we have intentionally doped the emissive layer of (8-tris-hydroxyquinoline) with three acceptors (A) of different electron affinities: F 4 -TCNQ, TCNQ, and C 60 , and found that C 60 is the strongest EL-quencher, while F 4 -TCNQ is the weakest, contrary to intuitive expectations. The new effects of charge transfer and usually considered energy transfer from exciton to neutral (A) and charged acceptors (A - ) are compared as channels for non-radiative Ex-A decay. At high current loads the EL quenching is observed, which is due to decay of Ex on free charge carriers, hole polarons P + . We consider contributions to Ex-P + interaction by short-range charge transfer and describe the structure of microscopic charge transfer (CT)-processes responsible for it. The formation of metastable states of 'charged excitons' (predicted and studied by Agranovich et al. Chem. Phys. 272 (2001) 159) by electron transfer from a P to an Ex is pointed out, and ways to suppress non-radiative Ex-P decay are suggested

  19. Aggregation in thin-film silver: Induced by chlorine and inhibited by alloying with two dopants

    International Nuclear Information System (INIS)

    Koike, Katsuhiko; Shimada, Koichi; Fukuda, Shin

    2009-01-01

    The Ag aggregation mechanism triggered by chlorine (Cl) is discussed. The frontier orbital theory by K. Fukui is applied in order to determine the growing point in the silver (Ag) cluster. Ag in the thin-film silver would grow to Ag n Cl and stack, triggered by Cl from the outside according to the mechanism described. This would lead to an aggregate with a high Ag density. It is suggested that this would be the generating mechanism of the silver-gray aggregate consisting mostly of Ag, which is generated by exposing it to Cl. Two tactics in order to prevent restrain aggregation induced by Cl according to the mechanism are proposed. Tactic 1 is a restraining of structure change to a plane in the process of Ag 6 Cl + Ag → Ag 7 Cl. Tactic 2 is the trapping of Cl before it generates a bond to Ag. The ability of the two combined dopants with the abilities of tactics 1 and 2, such as in an Ag alloy including palladium and copper (APC), and including neodymium and gold (ANA) is expected to be very high. The aggregation resistance of an Ag alloy including two dopants is evaluated by a salt water immersion test. The APC and ANA demonstrated a very high resistance to Cl, because of the combination of the dopants working with tactic 1 (Pd, Au) and tactic 2 (Cu, Nd). The multilayer sputter coating with an ANA layer demonstrated a very interesting profile where the light transmittance and the electrical sheet resistance are almost the same as the multilayer sputter coating with a pure Ag. The multilayer sputter coating with AIS also demonstrates a very interesting profile, where the light transmittance is higher than the multilayer sputter coating with a pure Ag.

  20. Trivalent dopants on ZnO semiconductor obtained by mechanical milling

    Energy Technology Data Exchange (ETDEWEB)

    Damonte, L.C., E-mail: damonte@fisica.unlp.edu.a [Dto. De Fisica, UNLP, IFLP-CONICET, C.C.67 (1900) La Plata (Argentina); Dto. De Fisica Aplicada, Universidad Politecnica de Valencia, Valencia (Spain); Donderis, V. [Dto. De Ingenieria Electrica, Universidad Politecnica de Valencia, Cami de Vera s/n, 46071 Valencia (Spain); Hernandez-Fenollosa, M.A. [Dto. De Fisica Aplicada, Universidad Politecnica de Valencia, Valencia (Spain)

    2009-08-26

    Al-doped ZnO powders were obtained by mechanical milling. This n-type oxide material is of interest for application in electronic devices as solar cells. The incorporation of the metal dopant into the ZnO wurtzite structure has been verified by X-ray diffraction, positron annihilation spectroscopy and optical analysis. The optical reflection measurements were strongly affected by the Al incorporation. The positron annihilation spectroscopy constituted an adequate probe to sense the cation substitution in the doped semiconductor.

  1. Trivalent dopants on ZnO semiconductor obtained by mechanical milling

    International Nuclear Information System (INIS)

    Damonte, L.C.; Donderis, V.; Hernandez-Fenollosa, M.A.

    2009-01-01

    Al-doped ZnO powders were obtained by mechanical milling. This n-type oxide material is of interest for application in electronic devices as solar cells. The incorporation of the metal dopant into the ZnO wurtzite structure has been verified by X-ray diffraction, positron annihilation spectroscopy and optical analysis. The optical reflection measurements were strongly affected by the Al incorporation. The positron annihilation spectroscopy constituted an adequate probe to sense the cation substitution in the doped semiconductor.

  2. Redistribution of dopant and impurity concentrations during the formation of uniform WSi2 films by RTP

    International Nuclear Information System (INIS)

    Siegal, M.P.; Santiago, J.J.

    1988-01-01

    Secondary ion mass spectroscopy has been used to study the effects of rapid thermal processing on the formation of tetragonal tungsten disilicide thin films on Si(100), p-type 5 Ω . cm wafers. The substrates were chemically etched, followed by an RF sputter deposition of 710A W metal. The samples were then fast radiatively processed in an RTP system for time intervals ranging from 15 to 45 seconds at high temperature (--1100 0 C) under high vacuum. The redistribution of the boron dopant concentration profile is described in this paper

  3. Substitutional Co dopant on the GaAs(110) surface: A first principles study

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Zhou; Yi, Zhijun, E-mail: zhijunyi@cumt.edu.cn

    2016-12-01

    Using the first principles ground state method, the electronic properties of single Co dopant replacing one Ga atom on the GaAs(110) surface are studied. Our calculated local density of states (LDOS) at Co site presents several distinct peaks above the valence band maximum (VBM), and this agrees with recent experiments. Moreover, the calculated STM images at bias voltages of 2 eV and −2 eV also agree with experiments. We discussed the origin of Co impurity induced distinct peaks, which can be characterized with the hybridization between Co d orbitals and p-like orbitals of surface As and Ga atoms.

  4. High Thermoelectric Figure of Merit by Resonant Dopant in Half-Heusler Alloys

    OpenAIRE

    Chen, Long; Liu, Yamei; He, Jian; Tritt, Terry M.; Poon, S. Joseph

    2017-01-01

    Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.25NiSn enhanced the Seebeck coefficient and correlated the change with the increased density of states near the Fermi level. We herein report a systematic study on the role of vanadium (V), niobium (Nb), and tantalum (Ta) as prospective resonant dopants in e...

  5. The effect of different dopant concentration of tailor-made silica fibers in radiotherapy dosimetry

    Science.gov (United States)

    Begum, Mahfuza; Mizanur Rahman, A. K. M.; Zubair, H. T.; Abdul-Rashid, H. A.; Yusoff, Z.; Begum, Mahbuba; Alkhorayef, M.; Alzimami, K.; Bradley, D. A.

    2017-12-01

    In thermoluminescence (TL) material dopant concentration has an important effect on their characteristics as a ;radiation-sensor;. The study investigates dosimetric properties of four different concentration (4 mol%, 5 mol%, 7 mol% and 25 mol%) tailor-made Ge-doped silica fibers. The intention is to seek development of alternative TL materials that offer exceptional advantages over existing passive systems of dosimetry, including improved spatial resolution, a water impervious nature and low cost. Photon beams (6 MV and 10 MV) from a clinical linear accelerator were used for irradiation of the fiber samples over radiation therapy doses, ranging from 0.5 Gy to 8 Gy. SEM-EDX analysis was also performed to investigate the homogeneity of distribution of Ge dopant concentration from the fiber samples. The results of measurement were also compared with two of the more commonly used standard TLDs, TLD-100 (LiF: Mg,Ti-7.5% 6LiF) and TLD-700 ((7LiF: Mg,Ti-99.9%7LiF) chips respectively. The TL intensity of the fiber samples was found to strongly depend on Ge dopant concentration, with samples showing enhanced TL yields with decreasing Ge dopant concentration. 4 mol% Ge-doped silica fiber provided the greatest response whereas the 25 mol% samples showed the least, indicative of the well-known concentration quenching effects All fiber TLDs provided linear dose response over the delivered radiotherapy dose-range, the fibers also showing a weak dependence on photon beam energies in comparing the TL yields at 6 and 10 MV. The fading behavior of the different concentration Ge doped TLD-materials were also measured over a period of thirty (30) days subsequent to irradiation. The relative sensitivity of the samples with respect to standard TLD-100 were found to be 0.37, 0.26, 0.13 and 0.02 in respect of the 4, 5, 7 and 25 mol% fibers. The primary dosimetry peak, which was by far the most prominent of any other feature covered by the glow curve, was found to be around 244 °C using

  6. Influence of dopants on the glow curve structure and energy dependence of LiF:Mg,Cu,Si detectors

    International Nuclear Information System (INIS)

    Knezevic, Z.; Ranogajec-Komor, M.; Miljanic, S.; Lee, J.I.; Kim, J.L.; Music, S.

    2011-01-01

    LiF thermoluminescent material doped with Mg, Cu and Si recently developed by the Korea Atomic Energy Research Institute (KAERI) has shown very good dosimetric properties. Since the thermoluminescence in LiF was found to be dependent on the proper combination of dopants, the investigation of the concentration and type of dopants is very important in developing and characterisation of new TL materials. The aim of this work was to determine the influence of type and concentration of activators on the glow curve structure, sensitivity, reproducibility and on the photon energy response of LiF:Mg,Cu,Si detectors. The energy response was studied in air and on the ISO water phantom in the range of mean photon energies between 33 keV and 164 keV. The morphology and local chemical composition of LiF:Mg,Cu,Si detectors were examined using high resolution scanning electron microscopy (FE-SEM). The results show that type and concentration of activators influence the glow curve and sensitivity. Different dopant concentrations did not show influence on the photon energy response. The sensitivity of LiF:Mg,Cu,Si detector with dopant concentration of Mg = 0.35 mol%, Cu = 0.025 mol% and Si = 0.9 mol% was very high (up to 65 times higher than that of TLD-100). The photon energy response of LiF:Mg,Cu,Si detectors containing all three dopants in various concentrations is in accordance with the IAEA recommendations for individual monitoring.

  7. Influence of dopants on the glow curve structure and energy dependence of LiF:Mg,Cu,Si detectors

    Energy Technology Data Exchange (ETDEWEB)

    Knezevic, Z., E-mail: zknez@irb.h [Ruder Boskovic Institute, Bijenicka 54, 10000 Zagreb (Croatia); Ranogajec-Komor, M.; Miljanic, S. [Ruder Boskovic Institute, Bijenicka 54, 10000 Zagreb (Croatia); Lee, J.I.; Kim, J.L. [Korea Atomic Energy Research Institute, P.O. Box 105 Yuseong, Daejon 305-600 (Korea, Republic of); Music, S. [Ruder Boskovic Institute, Bijenicka 54, 10000 Zagreb (Croatia)

    2011-03-15

    LiF thermoluminescent material doped with Mg, Cu and Si recently developed by the Korea Atomic Energy Research Institute (KAERI) has shown very good dosimetric properties. Since the thermoluminescence in LiF was found to be dependent on the proper combination of dopants, the investigation of the concentration and type of dopants is very important in developing and characterisation of new TL materials. The aim of this work was to determine the influence of type and concentration of activators on the glow curve structure, sensitivity, reproducibility and on the photon energy response of LiF:Mg,Cu,Si detectors. The energy response was studied in air and on the ISO water phantom in the range of mean photon energies between 33 keV and 164 keV. The morphology and local chemical composition of LiF:Mg,Cu,Si detectors were examined using high resolution scanning electron microscopy (FE-SEM). The results show that type and concentration of activators influence the glow curve and sensitivity. Different dopant concentrations did not show influence on the photon energy response. The sensitivity of LiF:Mg,Cu,Si detector with dopant concentration of Mg = 0.35 mol%, Cu = 0.025 mol% and Si = 0.9 mol% was very high (up to 65 times higher than that of TLD-100). The photon energy response of LiF:Mg,Cu,Si detectors containing all three dopants in various concentrations is in accordance with the IAEA recommendations for individual monitoring.

  8. Heterovalent Dopant Incorporation for Bandgap and Type Engineering of Perovskite Crystals

    KAUST Repository

    Abdelhady, Ahmed L.

    2016-01-02

    Controllable doping of semiconductors is a fundamental technological requirement for electronic and optoelectronic devices. As intrinsic semiconductors, hybrid perovskites have so far been a phenomenal success in photovoltaics. The inability to dope these materials heterovalently (or aliovalently) has greatly limited their wider utilizations in electronics. Here we show an efficient in situ chemical route that achieves the controlled incorporation of trivalent cations (Bi3+, Au3+, or In3+) by exploiting the retrograde solubility behavior of perovskites. We term the new method dopant incorporation in the retrograde regime. We achieve Bi3+ incorporation that leads to bandgap tuning (∼300 meV), 104 fold enhancement in electrical conductivity, and a change in the sign of majority charge carriers from positive to negative. This work demonstrates the successful incorporation of dopants into perovskite crystals while preserving the host lattice structure, opening new avenues to tailor the electronic and optoelectronic properties of this rapidly emerging class of solution-processed semiconductors. © 2016 American Chemical Society.

  9. Preparation and characterization of electrodeposited SnS:In thin films: Effect of In dopant

    Science.gov (United States)

    Kafashan, Hosein; Balak, Zohre

    2017-09-01

    SnS:In thin films were grown on fluorine doped tin oxide (FTO) substrate by cathodic electrodeposition technique. The solution was containing 2 mM SnCl2 and 16 mM Na2S2O3 and different amounts of 1 mM InCl3 as In-dopant. The pH, bath temperature, deposition time, and deposition potential (E) were fixed at 2.1, 60 °C, 30 min, and - 1 V, respectively. The XRD results showed that the synthesized films were polycrystalline orthorhombic SnS. The XPS results demonstrated that the films were composed of Sn, S and In. According to the FESEM images, an increase in In-dopant concentration leads to a change in morphology from grain-like to sheet-like having a nanoscale thickness of 20-80 nm and fiber-like. The PL spectra of undoped SnS exhibited four emission peaks including a UV peak, two blue emission peaks, and an IR emission peak. According to the UV-Vis spectra, the direct band gap of SnS:In thin films was estimated to be 1.40-1.66 eV.

  10. High thermoelectric figure of merit by resonant dopant in half-Heusler alloys

    Science.gov (United States)

    Chen, Long; Liu, Yamei; He, Jian; Tritt, Terry M.; Poon, S. Joseph

    2017-06-01

    Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.25NiSn enhanced the Seebeck coefficient and correlated the change with the increased density of states near the Fermi level. We herein report a systematic study on the role of vanadium (V), niobium (Nb), and tantalum (Ta) as prospective resonant dopants in enhancing the ZT of n-type half-Heusler alloys based on Hf0.6Zr0.4NiSn0.995Sb0.005. The V doping was found to increase the Seebeck coefficient in the temperature range 300-1000 K, consistent with a resonant doping scheme. In contrast, Nb and Ta act as normal n-type dopants, as evident by the systematic decrease in electrical resistivity and Seebeck coefficient. The combination of enhanced Seebeck coefficient due to the presence of V resonant states and the reduced thermal conductivity has led to a state-of-the-art ZT of 1.3 near 850 K in n-type (Hf0.6Zr0.4)0.99V0.01NiSn0.995Sb0.005 alloys.

  11. Quantitative dopant profiling in semiconductors. A new approach to Kelvin probe force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Baumgart, Christine

    2012-07-01

    Failure analysis and optimization of semiconducting devices request knowledge of their electrical properties. To meet the demands of today's semiconductor industry, an electrical nanometrology technique is required which provides quantitative information about the doping profile and which enables scans with a lateral resolution in the sub-10 nm range. In the presented work it is shown that Kelvin probe force microscopy (KPFM) is a very promising electrical nanometrology technique to face this challenge. The technical and physical aspects of KPFM measurements on semiconductors required for the correct interpretation of the detected KPFM bias are discussed. A new KPFM model is developed which enables the quantitative correlation between the probed KPFM bias and the dopant concentration in the investigated semiconducting sample. Quantitative dopant profiling by means of the new KPFM model is demonstrated by the example of differently structured, n- and p-type doped silicon. Additionally, the transport of charge carriers during KPFM measurements, in particular in the presence of intrinsic electric fields due to vertical and horizontal pn junctions as well as due to surface space charge regions, is discussed. Detailed investigations show that transport of charge carriers in the semiconducting sample is a crucial aspect and has to be taken into account when aiming for a quantitative evaluation of the probed KPFM bias.

  12. Effects of Lithium Dopant on Size and Morphology of Magnesium Oxide Nano powders

    International Nuclear Information System (INIS)

    Mohd Sufri Mastuli; Siti Nur Hazlinda Hasbu; Noraziahwati Ibrahim; Mohd Azizi Nawawi; Mohd Sufri Mastuli

    2014-01-01

    Lithium doped of magnesium oxide powders have been synthesized using the sol-gel method with magnesium acetate tetrahydrate, oxalic acid dihydrate and lithium acetate dihydrate used as the starting materials. The dried sol-gel products were calcined at 950 degree Celsius for 36 h to form the Li doped-MgO samples. The calcined samples were characterized using X-Ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). The present work is investigated the effect of lithium ion on the band gap energy of studied samples. The band gap energies were obtained from a Tauc plot that drawn based on absorption edge of each sample that measured using a UV-Vis spectrophotometer. It is found that the doped and undoped MgO samples showed a slightly different in their band gap energies. The lithium ion that present in the MgO as a dopant affects the crystallite size and morphology of the final products. Our study shows that the lithium dopant can modified optical properties of the metal oxide which to be beneficial in some industrial applications. (author)

  13. Electrical properties of tin-doped zinc oxide nanostructures doped at different dopant concentrations

    International Nuclear Information System (INIS)

    Nasir, M. F.; Zainol, M. N.; Hannas, M.; Mamat, M. H.; Rusop, Mohamad; Rahman, S. A.

    2016-01-01

    This project has been focused on the electrical and optical properties respectively on the effect of Tin doped zinc oxide (ZnO) thin films at different dopant concentrations. These thin films were doped with different Sn dopant concentrations at 1 at%, 2 at%, 3 at%, 4 at% and 5 at% was selected as the parameter to optimize the thin films quality while the annealing temperature is fixed 500 °C. Sn doped ZnO solutions were deposited onto the glass substrates using sol-gel spin coating method. This project was involved with three phases, which are thin films preparation, deposition and characterization. The thin films were characterized using Current Voltage (I-V) measurement and ultraviolet-visible-near-infrared (UV-vis-NIR) spectrophotometer (Perkin Elmer Lambda 750) for electrical properties and optical properties. The electrical properties show that the resistivity is the lowest at 4 at% Sn doping concentration with the value 3.08 × 10"3 Ωcm"−"1. The absorption coefficient spectrum obtained shows all films exhibit very low absorption in the visible (400-800 nm) and near infrared (NIR) (>800 nm) range but exhibit high absorption in the UV range.

  14. Industrially feasible, dopant-free, carrier-selective contacts for high-efficiency silicon solar cells

    KAUST Repository

    Yang, Xinbo

    2017-05-31

    Dopant-free, carrier-selective contacts (CSCs) on high efficiency silicon solar cells combine ease of deposition with potential optical benefits. Electron-selective titanium dioxide (TiO) contacts, one of the most promising dopant-free CSC technologies, have been successfully implemented into silicon solar cells with an efficiency over 21%. Here, we report further progress of TiO contacts for silicon solar cells and present an assessment of their industrial feasibility. With improved TiO contact quality and cell processing, a remarkable efficiency of 22.1% has been achieved using an n-type silicon solar cell featuring a full-area TiO contact. Next, we demonstrate the compatibility of TiO contacts with an industrial contact-firing process, its low performance sensitivity to the wafer resistivity, its applicability to ultrathin substrates as well as its long-term stability. Our findings underscore the great appeal of TiO contacts for industrial implementation with their combination of high efficiency with robust fabrication at low cost.

  15. Photoreflection investigations of the dopant activation in InP doped with beryllium ions

    International Nuclear Information System (INIS)

    Avakyants, L.P.; Bokov, P.Yu.; Chervyakov, A.V.

    2005-01-01

    The processes of the dopant activation in the InP crystals implanted with Be + ions (energy 100 keV, dose 10 13 cm -2 and subsequent thermal annealing during 10 s) have been studied by means of photoreflection spectroscopy. Spectral lines of the crystal InP were absent in the photoreflection spectra of the samples annealed at temperatures less then 400 Deg C. This fact is connected with the disordering of the crystal structure due to the ion implantation. In the temperature range 400-700 Deg C the lines from InP band gap (1.34 eV) and conductance band-spin-orbit splitting valence subband (1.44 eV) have been observed due to the recovery of the crystal structure. In the photoreflectance spectra of a 800 Deg C annealed sample the Franz-Keldysh oscillations have been observed, which can be an evidence in favour of the dopant activation. Carrier concentration calculated from the period of Franz-Keldysh oscillations was equal to 2.2 x 10 16 cm -3 [ru

  16. Germania and Alumina Dopant Diffusion and Viscous Flow Effects at Preparation of Doped Optical Fibers

    Directory of Open Access Journals (Sweden)

    Jens Kobelke

    2017-01-01

    Full Text Available We report on germania and alumina dopant profile shift effects at preparation of compact optical fibers using packaging methods (Stack-and-Draw method, Rod-in-Tube (RiT technique. The sintering of package hollow volume by viscous flow results in a shift of the core-pitch ratio in all-solid microstructured fibers. The ratio is increased by about 5% in the case of a hexagonal package. The shift by diffusion effects of both dopants is simulated for typical slow speed drawing parameters. Thermodynamic approximations of surface dissociation of germania doped silica suggest the need of an adequate undoped silica barrier layer to prevent an undesired bubble formation at fiber drawing. In contrast, alumina doping does not estimate critical dissociation effects with vaporous aluminium oxide components. We report guide values of diffusion length of germania and alumina for the drawing process by kinetic approximation. The germania diffusion involves a small core enlargement, typically in the sub-micrometer scale. Though, the alumina diffusion enlarges it by a few micrometers. A drawn pure alumina preform core rod transforms to an amorphous aluminosilicate core with a molar alumina concentration of only about 50% and a non-gaussian concentration profile.

  17. Hard-Wired Dopant Networks and the Prediction of High Transition Temperatures in Ceramic Superconductors

    International Nuclear Information System (INIS)

    Phillips, J.C.

    2010-01-01

    The review multiple successes of the discrete hard-wired dopant network model ZZIP, and comment on the equally numerous failures of continuum models, in describing and predicting the properties of ceramic superconductors. The prediction of transition temperatures can be regarded in several ways, either as an exacting test of theory, or as a tool for identifying theoretical rules for defining new homology models. Popular first principle methods for predicting transition temperatures in conventional crystalline superconductors have failed for cuprate HTSC, as have parameterized models based on CuO2 planes (with or without apical oxygen). Following a path suggested by Bayesian probability, it was found that the glassy, self-organized dopant network percolative model is so successful that it defines a new homology class appropriate to ceramic superconductors. The reasons for this success in an exponentially complex (non-polynomial complete, NPC) problem are discussed, and a critical comparison is made with previous polynomial (PC) theories. The predictions are successful for the superfamily of all ceramics, including new non-cuprates based on FeAs in place of CuO2.

  18. On substrate dopant engineering for ET-SOI MOSFETs with UT-BOX

    International Nuclear Information System (INIS)

    Wu Hao; Xu Miao; Wan Guangxing; Zhu Huilong; Zhao Lichuan; Tong Xiaodong; Zhao Chao; Chen Dapeng; Ye Tianchun

    2014-01-01

    The importance of substrate doping engineering for extremely thin SOI MOSFETs with ultra-thin buried oxide (ES-UB-MOSFETs) is demonstrated by simulation. A new substrate/backgate doping engineering, lateral non-uniform dopant distributions (LNDD) is investigated in ES-UB-MOSFETs. The effects of LNDD on device performance, V t -roll-off, channel mobility and random dopant fluctuation (RDF) are studied and optimized. Fixing the long channel threshold voltage (V t ) at 0.3 V, ES-UB-MOSFETs with lateral uniform doping in the substrate and forward back bias can scale only to 35 nm, meanwhile LNDD enables ES-UB-MOSFETs to scale to a 20 nm gate length, which is 43% smaller. The LNDD degradation is 10% of the carrier mobility both for nMOS and pMOS, but it is canceled out by a good short channel effect controlled by the LNDD. Fixing V t at 0.3 V, in long channel devices, due to more channel doping concentration for the LNDD technique, the RDF in LNDD controlled ES-UB-MOSFETs is worse than in back-bias controlled ES-UB-MOSFETs, but in the short channel, the RDF for LNDD controlled ES-UB-MOSFET is better due to its self-adaption of substrate doping engineering by using a fixed thickness inner-spacer. A novel process flow to form LNDD is proposed and simulated. (semiconductor devices)

  19. The Role of Dopant Ions on Charge Injection and Transport in Electrochemically Doped Quantum Dot Films.

    Science.gov (United States)

    Gudjonsdottir, Solrun; van der Stam, Ward; Kirkwood, Nicholas; Evers, Wiel H; Houtepen, Arjan J

    2018-05-16

    Control over the charge density is very important for implementation of colloidal semiconductor nanocrystals into various optoelectronic applications. A promising approach to dope nanocrystal assemblies is charge injection by electrochemistry, in which the charge compensating electrolyte ions can be regarded as external dopant ions. To gain insight into the doping mechanism and the role of the external dopant ions, we investigate charge injection in ZnO nanocrystal assemblies for a large series of charge compensating electrolyte ions with spectroelectrochemical and electrochemical transistor measurements. We show that charge injection is limited by the diffusion of cations in the nanocrystal films as their diffusion coefficient are found to be ∼7 orders of magnitude lower than those of electrons. We further show that the rate of charge injection depends strongly on the cation size and cation concentration. Strikingly, the onset of electron injection varies up to 0.4 V, depending on the size of the electrolyte cation. For the small ions Li + and Na + the onset is at significantly less negative potentials. For larger ions (K + , quaternary ammonium ions) the onset is always at the same, more negative potential, suggesting that intercalation may take place for Li + and Na + . Finally, we show that the nature of the charge compensating cation does not affect the source-drain electronic conductivity and mobility, indicating that shallow donor levels from intercalating ions fully hybridize with the quantum confined energy levels and that the reorganization energy due to intercalating ions does not strongly affect electron transport in these nanocrystal assemblies.

  20. Characteristics of titanium oxide memristor with coexistence of dopant drift and a tunnel barrier

    International Nuclear Information System (INIS)

    Tian Xiao-Bo; Xu Hui

    2014-01-01

    The recent published experimental data of titanium oxide memristor devices which are tested under the same experimental conditions exhibit the strange instability and complexity of these devices. Such undesired characteristics preclude the understanding of the device conductive processes and the memristor-based practical applications. The possibility of the coexistence of dopant drift and tunnel barrier conduction in a memristor provides preliminary explanations for the undesired characteristics. However, current research lacks detailed discussion about the coexistence case. In this paper, dopant drift and tunnel barrier-based theories are first analyzed for studying the relations between parameters and physical variables which affect characteristics of memristors, and then the influences of each parameter change on the conductive behaviors in the single and coexistence cases of the two mechanisms are simulated and discussed respectively. The simulation results provide further explanations of the complex device conduction. Theoretical methods of eliminating or reducing the coexistence of the two mechanisms are proposed, in order to increase the stability of the device conduction. This work also provides the support for optimizing the fabrications of memristor devices with excellent performance

  1. Finite element simulations of electrostatic dopant potentials in thin semiconductor specimens for electron holography.

    Science.gov (United States)

    Somodi, P K; Twitchett-Harrison, A C; Midgley, P A; Kardynał, B E; Barnes, C H W; Dunin-Borkowski, R E

    2013-11-01

    Two-dimensional finite element simulations of electrostatic dopant potentials in parallel-sided semiconductor specimens that contain p-n junctions are used to assess the effect of the electrical state of the surface of a thin specimen on projected potentials measured using off-axis electron holography in the transmission electron microscope. For a specimen that is constrained to have an equipotential surface, the simulations show that the step in the projected potential across a p-n junction is always lower than would be predicted from the properties of the bulk device, but is relatively insensitive to the value of the surface state energy, especially for thicker specimens and higher dopant concentrations. The depletion width measured from the projected potential, however, has a complicated dependence on specimen thickness. The results of the simulations are of broader interest for understanding the influence of surfaces and interfaces on electrostatic potentials in nanoscale semiconductor devices. © 2013 Elsevier B.V. All rights reserved.

  2. Electrical properties of tin-doped zinc oxide nanostructures doped at different dopant concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Nasir, M. F., E-mail: babaibaik2002@yahoo.com; Zainol, M. N., E-mail: nizarzainol@yahoo.com; Hannas, M., E-mail: mhannas@gmail.com [NANO-ElecTronic Centre (NET), Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); Mamat, M. H., E-mail: mhmamat@salam.uitm.edu.my; Rusop, Mohamad, E-mail: rusop@salam.uitm.edu.my [NANO-ElecTronic Centre (NET), Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); NANO-SciTech Centre (NST), Institute of Science (IOS), Universiti Teknologi MARA - UiTM, 40450 Shah Alam, Selangor (Malaysia); Rahman, S. A., E-mail: saadah@um.edu.my [NANO-ElecTronic Centre (NET), Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); Low Dimensional Materials Research Centre, Physics Department, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2016-07-06

    This project has been focused on the electrical and optical properties respectively on the effect of Tin doped zinc oxide (ZnO) thin films at different dopant concentrations. These thin films were doped with different Sn dopant concentrations at 1 at%, 2 at%, 3 at%, 4 at% and 5 at% was selected as the parameter to optimize the thin films quality while the annealing temperature is fixed 500 °C. Sn doped ZnO solutions were deposited onto the glass substrates using sol-gel spin coating method. This project was involved with three phases, which are thin films preparation, deposition and characterization. The thin films were characterized using Current Voltage (I-V) measurement and ultraviolet-visible-near-infrared (UV-vis-NIR) spectrophotometer (Perkin Elmer Lambda 750) for electrical properties and optical properties. The electrical properties show that the resistivity is the lowest at 4 at% Sn doping concentration with the value 3.08 × 10{sup 3} Ωcm{sup −1}. The absorption coefficient spectrum obtained shows all films exhibit very low absorption in the visible (400-800 nm) and near infrared (NIR) (>800 nm) range but exhibit high absorption in the UV range.

  3. Excitonic pathway to photoinduced magnetism in colloidal nanocrystals with nonmagnetic dopants.

    Science.gov (United States)

    Pinchetti, Valerio; Di, Qiumei; Lorenzon, Monica; Camellini, Andrea; Fasoli, Mauro; Zavelani-Rossi, Margherita; Meinardi, Francesco; Zhang, Jiatao; Crooker, Scott A; Brovelli, Sergio

    2018-02-01

    Electronic doping of colloidal semiconductor nanostructures holds promise for future device concepts in optoelectronic and spin-based technologies. Ag + is an emerging electronic dopant in III-V and II-VI nanostructures, introducing intragap electronic states optically coupled to the host conduction band. With its full 4d shell Ag + is nonmagnetic, and the dopant-related luminescence is ascribed to decay of the conduction-band electron following transfer of the photoexcited hole to Ag + . This optical activation process and the associated modification of the electronic configuration of Ag + remain unclear. Here, we trace a comprehensive picture of the excitonic process in Ag-doped CdSe nanocrystals and demonstrate that, in contrast to expectations, capture of the photohole leads to conversion of Ag + to paramagnetic Ag 2+ . The process of exciton recombination is thus inextricably tied to photoinduced magnetism. Accordingly, we observe strong optically activated magnetism and diluted magnetic semiconductor behaviour, demonstrating that optically switchable magnetic nanomaterials can be obtained by exploiting excitonic processes involving nonmagnetic impurities.

  4. Influence of dopant concentration on spectroscopic properties of Sr2CeO4:Yb nanocrystals

    Science.gov (United States)

    Stefanski, M.; Kędziorski, A.; Hreniak, D.; Strek, W.

    2017-12-01

    Optical properties of Sr2CeO4:Yb nanocrystals synthesized via Pechini's method are reported. The samples were characterized by X-ray diffraction data measurements. The unit cell parameters were determined using Rietveld refinement. It was found that they decreased with increasing amount of Yb ions. The absorption, excitation, emission spectra and luminescence decay profiles of the Sr2CeO4:Yb nanocrystals were investigated. It was observed that optical properties were strongly dependent on Yb concentration. It was found that Yb3+-O2- charge transfer transitions have great influence on the absorption spectra. It can be seen in the emission spectra that in addition to standard bands/lines corresponding to Ce-O metal-to-ligand charge transfer of Sr2CeO4 and f-f transitions of Yb3+, there is emission band centered at 744 nm. Its intensity depends on the concentration of the dopant. Recorded decay times become shorter with increasing dopant concentration due to the Yb3+ concentration quenching. Excitation spectra indicate the energy transfer from Ce-O charge transfer states to Yb3+2F5/2 state. The issue of appearance of down-conversion process in Sr2CeO4:Yb nanocrystals is considered.

  5. Heterovalent Dopant Incorporation for Bandgap and Type Engineering of Perovskite Crystals

    KAUST Repository

    Abdelhady, Ahmed L.; Saidaminov, Makhsud I.; Banavoth, Murali; Adinolfi, Valerio; Voznyy, Oleksandr; Katsiev, Khabiboulakh; Alarousu, Erkki; Comin, Riccardo; Dursun, Ibrahim; Sinatra, Lutfan; Sargent, Edward H.; Mohammed, Omar F.; Bakr, Osman

    2016-01-01

    Controllable doping of semiconductors is a fundamental technological requirement for electronic and optoelectronic devices. As intrinsic semiconductors, hybrid perovskites have so far been a phenomenal success in photovoltaics. The inability to dope these materials heterovalently (or aliovalently) has greatly limited their wider utilizations in electronics. Here we show an efficient in situ chemical route that achieves the controlled incorporation of trivalent cations (Bi3+, Au3+, or In3+) by exploiting the retrograde solubility behavior of perovskites. We term the new method dopant incorporation in the retrograde regime. We achieve Bi3+ incorporation that leads to bandgap tuning (∼300 meV), 104 fold enhancement in electrical conductivity, and a change in the sign of majority charge carriers from positive to negative. This work demonstrates the successful incorporation of dopants into perovskite crystals while preserving the host lattice structure, opening new avenues to tailor the electronic and optoelectronic properties of this rapidly emerging class of solution-processed semiconductors. © 2016 American Chemical Society.

  6. Effects of co-dopants on the magnetic properties of Ni–Zn ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Sea-Fue, E-mail: sfwang@ntut.edu.tw; Hsu, Yung-Fu; Chou, Kai-Mou; Tsai, Jeng-Ting

    2015-01-15

    In this study, substitution of co-dopants into the Ni{sub 0.4}Zn{sub 0.6}Fe{sub 2}O{sub 4} ceramic was performed. Al{sup 3+}, Sn{sup 4+} and Ti{sup 4+} ions were added to the Ni{sub 0.4}Zn{sub 0.4}Li{sub 0.10}Fe{sub 2.10}O{sub 4} ceramic to improve magnetic properties. After sintering, all samples were indexed on a spinel structure and no detectable second phase was observed. When the concentration of dopants increased, the grain size of the Ni–Zn ferrites increased from 1.40 to 6.05 μm and the saturation magnetization declined from 428.8 emu/cm{sup 3} to 374.0 emu/cm{sup 3}. Amongst the systems investigated, the Ni{sub 0.4}Zn{sub 0.4}Li{sub 0.10}Al{sub 0.050}Fe{sub 2.050}O{sub 4}, Ni{sub 0.4}Zn{sub 0.425}Li{sub 0.10}Ti{sub 0.025}Fe{sub 2.050}O{sub 4}, and Ni{sub 0.4}Zn{sub 0.450}Li{sub 0.10}Ti{sub 0.050}Fe{sub 2.000}O{sub 4} ceramics revealed promising magnetic properties for applications. The measured initial permeability and quality factor were respectively 291.9 and 45.1 for the Ni{sub 0.4}Zn{sub 0.4}Li{sub 0.10}Al{sub 0.050}Fe{sub 2.050}O{sub 4} ceramic, 316.9 and 42.5 for the Ni{sub 0.4}Zn{sub 0.425}Li{sub 0.10}Ti{sub 0.025}Fe{sub 2.050}O{sub 4} ceramic, 429.4 and 34.8 for the Ni{sub 0.4}Zn{sub 0.450}Li{sub 0.10}Ti{sub 0.050}Fe{sub 2.000}O{sub 4} ceramic. The high initial permeability and quality factor values associated with good electrical resistivity (>10{sup 6} Ω-cm) qualify the ceramics for high frequency applications. - Highlights: • Co-dopants Al{sup 3+}–Li{sup +}, Sn{sup 4+}–Li{sup +}, and Ti{sup 4}–Li{sup +} were substituted into Ni–Zn lattices. • Grain size of Ni–Zn ferrites grew from 1.40 to 6.05 μm with rising dopants content. • Saturation magnetization declined from 428.8 to 374.0 emu/cm{sup 3} with adding dopants. • Ni{sub 0.4}Zn{sub 0.4}Li{sub 0.10}Al{sub 0.050}Fe{sub 2.050}O{sub 4} ceramic showed an μ{sub i} of 291.9 and a Q{sub f} of 45.1.

  7. Chemical and Electrochemical Synthesis of Polypyrrole Using Carrageenan as a Dopant: Polypyrrole/Multi-Walled Carbon Nanotube Nanocomposites

    Directory of Open Access Journals (Sweden)

    Mostafizur Rahaman

    2018-06-01

    Full Text Available In this article, iota-carrageenan (IC and kappa-carrageenan (KC are used as dopants for the chemical and electrochemical synthesis of polypyrrole (PPy. The composites of chemically synthesized PPy with multi-walled carbon nanotubes (MWNTs were prepared using an in situ technique. Both the dialyzed and non-dialyzed IC and KC were used as dopants for electrochemical polymerization of pyrrole. Chemically synthesized PPy and PPy/MWNTs composites were studied by ultraviolet visible (UV-vis absorption spectra to investigate the effect of the concentration and the incorporation of MWNTs. In addition, the electrical, thermal, mechanical, and microscopic characterizations of these films were performed to examine the effect of the dopants and MWNTs on these properties, along with their surface morphology. The films of electrochemically polymerized PPy were characterized using UV-vis absorption spectra, scanning electron microscopy, and cyclic voltammetry (CV. The results were then compared with the chemical polymerized PPy.

  8. Perspective analysis of tri gate germanium tunneling field-effect transistor with dopant segregation region at source/drain

    Science.gov (United States)

    Liu, Liang-kui; Shi, Cheng; Zhang, Yi-bo; Sun, Lei

    2017-04-01

    A tri gate Ge-based tunneling field-effect transistor (TFET) has been numerically studied with technology computer aided design (TCAD) tools. Dopant segregated Schottky source/drain is applied to the device structure design (DS-TFET). The characteristics of the DS-TFET are compared and analyzed comprehensively. It is found that the performance of n-channel tri gate DS-TFET with a positive bias is insensitive to the dopant concentration and barrier height at n-type drain, and that the dopant concentration and barrier height at a p-type source considerably affect the device performance. The domination of electron current in the entire BTBT current of this device accounts for this phenomenon and the tri-gate DS-TFET is proved to have a higher performance than its dual-gate counterpart.

  9. A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of {alpha}-tetrathiophene

    Energy Technology Data Exchange (ETDEWEB)

    Aleman, Carlos [Departament d' Enginyeria Quimica, E.T.S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.edu; Oliver, Ramon [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain); Brillas, Enric [Departament de Quimica Fisica, Facultat de Quimica, Universitat de Barcelona, Marti i Franques 1, Barcelona E-08028 (Spain); Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No. 69, Lleida E-25001 (Spain); Estrany, Francesc [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain)], E-mail: francesc.estrany@upc.edu

    2006-04-21

    This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene. The results derived from anodic polymerization of {alpha}-tetrathiophene using SCN{sup -}, Cl{sup -}, Br{sup -}, NO{sub 3}{sup -}ClO{sub 3}{sup -}andClO{sub 4}{sup -} as dopant agents are compared with theoretical results provided by quantum mechanical calculations on 1:1 charge-transfer complexes formed by {alpha}-tetrathiophene and X=SCN, Cl, Br, NO{sub 3}, ClO{sub 3} and ClO{sub 4}. The consistency between experimental and theoretical results allows explain and rationalize the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene.

  10. Site-selective dopant profiling of p-n junction specimens in the dual-beam FIB/SEM system

    International Nuclear Information System (INIS)

    Chee, K W A; Beanland, R; Midgley, P A; Humphreys, C J

    2010-01-01

    Results from site-specific dopant profiling in a dual-beam FIB/SEM system are reported. Si specimens containing p-n junctions were milled using Ga + ion beam energies ranging from 30 keV to 2 keV, and analysed in situin the vacuum chamber. We compare the dopant contrast observed when milling a cleaved surface to that obtained from a side-wall of a trench cut using 30 kV Ga + ions, and using successively lower ion beam energies. The latter technique is suitable for site-specific dopant profiling. We find that lower energy ion beam milling significantly improves contrast, but only achieves 50 % of that observed on a freshly-cleaved surface. Furthermore, the contrast on a side-wall previously milled using high energy Ga + ions is less than that of a cleaved surface subjected to the same ion beam energy.

  11. The effect of dopant-induced electron traps on spectrum evolution of doped organic light-emitting devices

    Energy Technology Data Exchange (ETDEWEB)

    Zhan, Y.Q. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China)]. E-mail: yqzhan@fudan.edu.cn; Zhou, J. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China); Zhou, Y.C. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China); Wu, Y. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China); Yang, H. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China); Li, F.Y. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China); Ding, X.M. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China); Hou, X.Y. [Surface Physics Laboratory (National Key Laboratory), Lab of Advanced Materials, Fudan University, Shanghai 200433 (China)]. E-mail: xyhou@fudan.edu.cn

    2007-05-07

    A prototype of light emitting device with two symmetrically located Al/LiF electrodes is fabricated to study the voltage dependence of emission spectra. 4-(dicyanomethylene)-2-methyl-6- (pdimethylaminostyryl)-4H-pyran doped tris-(8-hydroxy-quinolinato) aluminum thin film is the emitting layer of the device. Experiments show that with increasing applied voltage the emission intensity of the device decreases, of which the dopant emission intensity decreases more steeply than that of the host. Based on the theory of space-charge-limited current in insulator with a single shallow trap level it is deduced that the photoluminescence intensity of the dopant emission decreases linearly with applied voltage, in good agreement with experimental measurements. The evolution of the emission spectra can be well explained by the suggested mechanism that the electrons are trapped in the dopant molecules, which blocks the energy transfer from the host, and leads to more excitons in the host to emit light.

  12. The effect of dopant-induced electron traps on spectrum evolution of doped organic light-emitting devices

    International Nuclear Information System (INIS)

    Zhan, Y.Q.; Zhou, J.; Zhou, Y.C.; Wu, Y.; Yang, H.; Li, F.Y.; Ding, X.M.; Hou, X.Y.

    2007-01-01

    A prototype of light emitting device with two symmetrically located Al/LiF electrodes is fabricated to study the voltage dependence of emission spectra. 4-(dicyanomethylene)-2-methyl-6- (pdimethylaminostyryl)-4H-pyran doped tris-(8-hydroxy-quinolinato) aluminum thin film is the emitting layer of the device. Experiments show that with increasing applied voltage the emission intensity of the device decreases, of which the dopant emission intensity decreases more steeply than that of the host. Based on the theory of space-charge-limited current in insulator with a single shallow trap level it is deduced that the photoluminescence intensity of the dopant emission decreases linearly with applied voltage, in good agreement with experimental measurements. The evolution of the emission spectra can be well explained by the suggested mechanism that the electrons are trapped in the dopant molecules, which blocks the energy transfer from the host, and leads to more excitons in the host to emit light

  13. Reaction of N,N’-dimethylformamide and divalent viologen molecule to generate an organic dopant for molybdenum disulfide

    Directory of Open Access Journals (Sweden)

    A. Fukui

    2018-05-01

    Full Text Available Tuning the carrier concentration is essential for semiconducting materials to apply optoelectronic devices. Molybdenum disulfide (MoS2 is a semiconducting material composed of atomically thin (∼0.7 nm thickness layers. To dope thin MoS2, instead of using conventional atom/ion injection processes, a surface charge transfer method was successfully applied. In this study, we report a simple preparation method of a molecular dopant applicable to the doping process. The method follows a previous report for producing a molecular dopant, benzyl viologen (BV which shows electron doping to MoS2. To prepare dopant BV molecules, a reduction process with a commercially available divalent BV by sodium borohydride (NaBH4 is required; however, the reaction requires a large consumption of NaBH4. NaBH4 drastically reacts with the solvent water itself. We found a reaction process of BV in an organic solvent, N,N’-dimethylformamide (DMF, by adding a small amount of water dissolving the divalent BV. The reaction is mild (at room temperature and is autonomous once DMF comes into contact with the divalent BV aqueous solution. The reaction can be monitored with a UV-Vis spectrometer, and kinetic analysis indicates two reaction steps between divalent/monovalent/neutral viologen isomers. The product was soluble in toluene and did not dissolve in water, indicating it is similar to the reported dopant BV. The synthesized molecule was found to act as a dopant for MoS2 by applying a metal-oxide-semiconductor field-effect-transistor (MOSFET structure. The process is a general method and applicable to other viologen-related dopants to tune the electronic structure of 2D materials to facilitate generating atomically thin devices.

  14. Reaction of N,N'-dimethylformamide and divalent viologen molecule to generate an organic dopant for molybdenum disulfide

    Science.gov (United States)

    Fukui, A.; Miura, K.; Ichimiya, H.; Tsurusaki, A.; Kariya, K.; Yoshimura, T.; Ashida, A.; Fujimura, N.; Kiriya, D.

    2018-05-01

    Tuning the carrier concentration is essential for semiconducting materials to apply optoelectronic devices. Molybdenum disulfide (MoS2) is a semiconducting material composed of atomically thin (˜0.7 nm thickness) layers. To dope thin MoS2, instead of using conventional atom/ion injection processes, a surface charge transfer method was successfully applied. In this study, we report a simple preparation method of a molecular dopant applicable to the doping process. The method follows a previous report for producing a molecular dopant, benzyl viologen (BV) which shows electron doping to MoS2. To prepare dopant BV molecules, a reduction process with a commercially available divalent BV by sodium borohydride (NaBH4) is required; however, the reaction requires a large consumption of NaBH4. NaBH4 drastically reacts with the solvent water itself. We found a reaction process of BV in an organic solvent, N,N'-dimethylformamide (DMF), by adding a small amount of water dissolving the divalent BV. The reaction is mild (at room temperature) and is autonomous once DMF comes into contact with the divalent BV aqueous solution. The reaction can be monitored with a UV-Vis spectrometer, and kinetic analysis indicates two reaction steps between divalent/monovalent/neutral viologen isomers. The product was soluble in toluene and did not dissolve in water, indicating it is similar to the reported dopant BV. The synthesized molecule was found to act as a dopant for MoS2 by applying a metal-oxide-semiconductor field-effect-transistor (MOSFET) structure. The process is a general method and applicable to other viologen-related dopants to tune the electronic structure of 2D materials to facilitate generating atomically thin devices.

  15. High-performance germanium n+/p junction by nickel-induced dopant activation of implanted phosphorus at low temperature

    International Nuclear Information System (INIS)

    Huang Wei; Lu Chao; Yu Jue; Wei Jiang-Bin; Chen Chao-Wen; Wang Jian-Yuan; Xu Jian-Fang; Li Cheng; Chen Song-Yan; Lai Hong-Kai; Wang Chen; Liu Chun-Li

    2016-01-01

    High-performance Ge n + /p junctions were fabricated at a low formation temperature from 325 °C to 400 °C with a metal(nickel)-induced dopant activation technique. The obtained NiGe electroded Ge n + /p junction has a rectification ratio of 5.6× 10 4 and a forward current of 387 A/cm 2 at −1 V bias. The Ni-based metal-induced dopant activation technique is expected to meet the requirement of the shallow junction of Ge MOSFET. (paper)

  16. About influence of buffer porous layers between epitaxial layers of heterostructure on distributions of concentrations of dopants in heterobipolar transistors

    Directory of Open Access Journals (Sweden)

    E Pankratov

    2016-10-01

    Full Text Available In this paper we introduce an approach to manufacture a heterobipolar transistors. Framework this approach we consider doping by diffusion or by ion implantation of required parts of a heterostructure with special configuration and optimization of annealing of dopant and/or radiation defects. In this case one have possibility to manufacture bipolar transistors, which include into itself p-n-junctions with higher sharpness and smaller dimensions. We also consider influence of presents of buffer porous layers between epitaxial layers of heterostructure on distributions of concentrations of dopants in the considered transistors. An approach to decrease value of mismatch-induced stress has been considered.

  17. Improving stability of photoluminescence of ZnSe thin films grown by molecular beam epitaxy by incorporating Cl dopant

    International Nuclear Information System (INIS)

    Wang, J. S.; Shen, J. L.; Chen, W. J.; Tsai, Y. H.; Wang, H. H.; Yang, C. S.; Chen, R. H.; Tsai, C. D.

    2011-01-01

    This investigation studies the effect of chlorine (Cl) dopant in ZnSe thin films that were grown by molecular beam epitaxy on their photoluminescence (PL) and the stability thereof. Free excitonic emission was observed at room-temperature in the Cl-doped sample. Photon irradiation with a wavelength of 404 nm and a power density of 9.1 W/cm 2 has a much stronger effect on PL degradation than does thermal heating to a temperature of 150 deg. C. Additionally, this study shows that the generation of nonradiative centers by both photon irradiation and thermal heating can be greatly inhibited by incorporating Cl dopant.

  18. Variation of thermophysical parameters of PCM CaCl2.6H2O with dopant from T-history data analysis

    Science.gov (United States)

    Sutjahja, I. M.; Silalahi, Alfriska O.; Sukmawati, Nissa; Kurnia, D.; Wonorahardjo, S.

    2018-03-01

    T-history is a powerful method for deriving the thermophysical parameters of a phase change material (PCM), which consists of solid and liquid specific heats as well as latent heat enthalpy. The performance of a PCM for thermal energy storage could be altered by chemical dopants added directly to the PCM in order to form a stable suspension. We described in this paper the role of chemical dopants in the variation of thermophysical parameters for CaCl2 · 6H2O inorganic PCM with 1 wt% and 2 wt% dopant concentration and BaSO4 (1 wt%) as a nucleator using the T-history method. The dopant consists graphite and CuO nanoparticles. The data analysis follows the original method proposed by (Zhang et al 1999 Meas. Sci. Technol. 10 201–205) and its modification by (Hong et al 2004 Int. J. Refrig. 27 360–366). In addition, the enthalpy-temperature curve is obtained by adopting a method proposed by (Marín et al 2003 Meas. Sci. Technol. 14 184–189). We found that the solid specific heat tends to increase non-linearly with increased dopant concentration for all dopants. The increased liquid specific heat, however, indicates the optimum value for 1 wt% graphite dopant. In contrast, the CuO dopant shows a smaller increase in dopant concentration. The specific heat data are analyzed based on the interacting mesolayer model for a nanofluid. The heat of fusion show strong variation with dopant type, in agreement with other experimental data for various PCMs and dopant particles.

  19. A new method to characterize dopant profiles in NMOSFETs using conventional transmission electron microscopy

    International Nuclear Information System (INIS)

    Kawamura, Kazuo; Ikeda, Kazuto; Terauchi, Masami

    2004-01-01

    We have developed a new method using conventional transmission electron microscopy (TEM) to obtain two dimensional dopant profiles in silicon and applied it to 40 nm-gate-length N + /p metal oxide semiconductor field effect transistors (MOSFETs). The results are consistent with those of selective-chemically etched samples observed by TEM. This method, using focused ion beam (FIB) sample preparation and conventional TEM, has the great advantage of simple sample preparation and high spatial resolution compared to other characterization methods, such as atomic capacitance microscopy, spreading resistance microscopy, and TEM combined with selective chemical etching. This indicates that this method can be applicable to the analysis of FETs at the 65 nm or smaller node

  20. Effect of indium dopant on surface and mechanical characteristics of ZnO : In nanostructured films

    Energy Technology Data Exchange (ETDEWEB)

    Fang, T.-H.; Kang, S.-H. [Institute of Mechanical and Electromechanical Engineering, National Formosa University, No 64, Wenhua Rd., Huwei, Yunlin 632, Taiwan (China)], E-mail: fang.tehua@msa.hinet.net

    2008-12-21

    Epitaxial ZnO : In nanorod films were grown on SiO{sub 2} substrates using a chemical solution method with a pre-coated ZnO sputtered seed layer. Structural and surface characterizations of the ZnO : In nanostructured films were achieved by means of x-ray diffraction, a scanning electron microscope, an atomic force microscope and contact angle measurements. The hardness and Young's modulus of the nanostructured films were investigated by nanoindentation measurements. The results showed that when the indium dopant was increased, the hardness and Young's modulus of the films also rose. The films exhibited hydrophobic behaviour with contact angles of about 128-138 deg., and a decrease in the hardness and Young's modulus with decreasing loads or indentation depths. Buckling behaviour took place during the indentation process, and the fracture strength of the films was also discussed.

  1. Role of dopant in annealing of chemical radiation damage in potassium nitrate

    International Nuclear Information System (INIS)

    Mohapatra, B.M.; Bhatta, D.

    1984-01-01

    The role of cationic vacancy in th annealing of gamma-irradiated potassium nitrate has been investigated using Ba 2+ as a dopant. Isothermal annealing data show that the pure potassium nitrate is immune to annealing above and below the temperature of crystal transition 127degC (Rhombic↔tTrigonal), while the doped crystals undergo recovery by a combination of one first order and one second order process above the phase change and by a second order process below this temperature. The recovery process above 127degC is initially fast (upto 1 hr) but subsequently it slows down to a pseudo-plateau. The proportion of damage which recombines by first and second order processes is 40.6 and 59.4 respectively. (author)

  2. Contributed Review: A review of the investigation of rare-earth dopant profiles in optical fibers

    Energy Technology Data Exchange (ETDEWEB)

    Sidiroglou, F.; Baxter, G. [Optical Technology Research Laboratory, College of Engineering and Science, Victoria University, P.O. Box 14428, Melbourne, VIC 8001 (Australia); Roberts, A. [School of Physics, The University of Melbourne, Melbourne, VIC 3010 (Australia)

    2016-04-15

    Rare-earth doped optical fibers have captivated the interest of many researchers around the world across the past three decades. The growth of this research field has been stimulated primarily through their application in optical communications as fiber lasers and amplifiers, although rare-earth doped optical fiber based devices are now finding important uses in many other scientific and industrial areas (for example, medicine, sensing, the military, and material processing). Such wide commercial interest has provided a strong incentive for innovative fiber designs, alternative glass compositions, and novel fabrication processes. A prerequisite for the ongoing progress of this research field is developing the capacity to provide high resolution information about the rare-earth dopant distribution profiles within the optical fibers. This paper constitutes a comprehensive review of the imaging techniques that have been utilized in the analysis of the distribution of the rare-earth ion erbium within the core of optical fibers.

  3. Study of the chlorine as dopant in synthesized polymers by plasma

    International Nuclear Information System (INIS)

    Vasquez, M.; Cruz, G.; Olayo, M.G.; Timoshina, T.; Morales, J.; Olayo, R.

    2003-01-01

    In the search of new and better dopants for semiconductor polymers, in this work the synthesis by plasma and the characterization of two doped polymers with chlorine, Pyrrole (PPy) and Thiophene (PTh) is presented. The characterization of the polymers it was carried out by FT-lR, it shows the C-Cl vibration that it is confirmed with the X-ray photoelectron spectroscopy technique (XPS). The elementary analysis shows a greater quantity of Cl in the PTh-CI compared with PPy-CI. However, this effect is not reflected in the electric conductivity since the PTh-Cl presents a lightly greater conductivity than the PPy-CI. SEM shows a formed structure of small agglomerated spheres of different size. (Author)

  4. Restoring the lattice of Si-based atom probe reconstructions for enhanced information on dopant positioning.

    Science.gov (United States)

    Breen, Andrew J; Moody, Michael P; Ceguerra, Anna V; Gault, Baptiste; Araullo-Peters, Vicente J; Ringer, Simon P

    2015-12-01

    The following manuscript presents a novel approach for creating lattice based models of Sb-doped Si directly from atom probe reconstructions for the purposes of improving information on dopant positioning and directly informing quantum mechanics based materials modeling approaches. Sophisticated crystallographic analysis techniques are used to detect latent crystal structure within the atom probe reconstructions with unprecedented accuracy. A distortion correction algorithm is then developed to precisely calibrate the detected crystal structure to the theoretically known diamond cubic lattice. The reconstructed atoms are then positioned on their most likely lattice positions. Simulations are then used to determine the accuracy of such an approach and show that improvements to short-range order measurements are possible for noise levels and detector efficiencies comparable with experimentally collected atom probe data. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant

    Science.gov (United States)

    Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

    2015-05-01

    Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies.

  6. Current status of models for transient phenomena in dopant diffusion and activation

    International Nuclear Information System (INIS)

    Pichler, P.; Stiebel, D.

    2002-01-01

    Transient phenomena caused by ion-implantation processes have been studied for more than 25 years now with a continuously increasing number of research articles published in this field per year. One driving force of this research is the ongoing miniaturization of ULSI MOS and bipolar technology which uses extensively the capabilities of technology-computer-aided-design (TCAD). The other driving force which attracts also academic institutions and research institutes is the high complexity of the phenomena, involving the interaction of dopants, intrinsic point defects, extended defects and impurities like carbon as well as the interactions of mobile defects with surfaces and interfaces and their redistribution in multilayer structures. This paper outlines some recent advances towards a quantitative description of such phenomena

  7. Off-axis electron holography for the measurement of active dopants in silicon semiconductor devices

    International Nuclear Information System (INIS)

    Cooper, David

    2016-01-01

    There is a need in the semiconductor industry for a dopant profiling technique with nm-scale resolution. Here we demonstrate that off-axis electron holography can be used to provide maps of the electrostatic potential in semiconductor devices with nm-scale resolution. In this paper we will discuss issues regarding the spatial resolution and precision of the technique. Then we will discuss problems with specimen preparation and how this affects the accuracy of the measurements of the potentials. Finally we show results from experimental off-axis electron holography applied to nMOS and pMOS CMOS devices grown on bulk silicon and silicon- on-insulator type devices and present solutions to common problems that are encountered when examining these types of devices. (paper)

  8. Scintillation characteristic of In, Ga-doped ZnO thin films with different dopant concentrations

    International Nuclear Information System (INIS)

    Fujimoto, Yutaka; Yanagida, Takayuki; Yokota, Yuui; Chani, Valery; Yoshikawa, Akira; Sekiwa, Hideyuki

    2011-01-01

    The present study describes the first detailed evaluation of the rise and the decay time of scintillation phenomenon in In 3+ - and Ga 3+ -doped ZnO thin films with different dopant concentrations. In 3+ -(25, 55, and 141 ppm) and Ga 3+ -(33, 67, 333, and 1374 ppm) doped ZnO films were grown by the Liquid Phase Epitaxy (LPE) method. The characterization was performed using the pulse X-ray equipped streak camera system. Both the rise and the decay times were shortened considerably with increasing content of In 3+ and Ga 3+ in the films. However, the scintillation light yield under 241 Am α-ray excitation reduced when concentration of In 3+ and Ga 3+ in the ZnO films was high. (author)

  9. Dopant induced variations in microstructure and optical properties of CeO2 nanoparticles

    International Nuclear Information System (INIS)

    Mohanty, Bhaskar Chandra; Lee, Jong Won; Yeon, Deuk-Ho; Jo, Yeon-Hwa; Kim, Jong Hak; Cho, Yong Soo

    2011-01-01

    Research highlights: → Dopant (Zr 4+ , La 3+ , and Ca 2+ ) induced phase stability, and changes in microstructure and optical properties of CeO 2 nanoparticles have been studied. → The nanoparticles were prepared by hydrothermal synthesis of nitrate solutions. → The results show modification of the unit cell parameter by -0.39, +0.83 and +0.16% for doping of 20% Zr 4+ , La 3+ , and Ca 2+ , respectively. → For each batch prepared, nanoparticles with a narrow size distribution of 5-15 nm have been obtained. These particles are single crystals mostly having polygonal two-dimensional projections. → UV-visible spectra of doped particles exhibit shift of the absorption edge and absorption peak with respect to those of the undoped ones and has been attributed to compensation of Ce 3+ and decreasing crystallite size as result of doping. -- Abstract: Nanocrystalline CeO 2 particles doped in the range of 0-20% of Ca 2+ , La 3+ , and Zr 4+ have been prepared from hydrothermal synthesis of nitrate solutions at 200 o C and the influences of the dopants on microstructure and optical properties of the nanoparticles have been investigated. The unit cell parameter is found to be modified by -0.39, +0.83 and +0.16% for doping of 20% Zr 4+ , La 3+ , and Ca 2+ , respectively. For each batch prepared, nanoparticles with a narrow size distribution of 5-15 nm have been obtained. A high-resolution transmission electron microscopy investigation reveals that these particles are single crystals mostly having hexagonal, square or circular two-dimensional projections. UV-visible spectra of doped powders exhibit shift of the absorption edge and absorption peak with respect to those of the undoped CeO 2 particles and has been attributed to compensation of Ce 3+ and decreasing crystallite size as result of doping.

  10. Low-cost copper complexes as p-dopants in solution processable hole transport layers

    Energy Technology Data Exchange (ETDEWEB)

    Kellermann, Renate [Department for Materials Science and Engineering, Chair for Materials for Electronics and Energy Technology, Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen 91058 (Germany); Siemens AG – Corporate Technology, Guenther-Scharowsky-Str. 1, Erlangen 91058 (Germany); Taroata, Dan; Maltenberger, Anna; Hartmann, David; Schmid, Guenter [Siemens AG – Corporate Technology, Guenther-Scharowsky-Str. 1, Erlangen 91058 (Germany); Brabec, Christoph J. [Department for Materials Science and Engineering, Chair for Materials for Electronics and Energy Technology, Friedrich-Alexander-University Erlangen-Nuremberg, Erlangen 91058 (Germany)

    2015-09-07

    We demonstrate the usage of the Lewis-acidic copper(II)hexafluoroacetylacetonate (Cu(hfac){sub 2}) and copper(II)trifluoroacetylacetonate (Cu(tfac){sub 2}) as low-cost p-dopants for conductivity enhancement of solution processable hole transport layers based on small molecules in organic light emitting diodes (OLEDs). The materials were clearly soluble in mixtures of environmentally friendly anisole and xylene and spin-coated under ambient atmosphere. Enhancements of two and four orders of magnitude, reaching 4.0 × 10{sup −11} S/cm with a dopant concentration of only 2 mol% Cu(hfac){sub 2} and 1.5 × 10{sup −9} S/cm with 5 mol% Cu(tfac){sub 2} in 2,2′,7,7′-tetra(N,N-ditolyl)amino-9,9-spiro-bifluorene (spiro-TTB), respectively, were achieved. Red light emitting diodes were fabricated with reduced driving voltages and enhanced current and power efficiencies (8.6 lm/W with Cu(hfac){sub 2} and 5.6 lm/W with Cu(tfac){sub 2}) compared to the OLED with undoped spiro-TTB (3.9 lm/W). The OLED with Cu(hfac){sub 2} doped spiro-TTB showed an over 8 times improved LT{sub 50} lifetime of 70 h at a starting luminance of 5000 cd/m{sup 2}. The LT{sub 50} lifetime of the reference OLED with PEDOT:PSS was only 8 h. Both non-optimized OLEDs were operated at similar driving voltage and power efficiency.

  11. Effects of Chromium Dopant on Ultraviolet Photoresponsivity of ZnO Nanorods

    Science.gov (United States)

    Mokhtari, S.; Safa, S.; Khayatian, A.; Azimirad, R.

    2017-07-01

    Structural and optical properties of bare ZnO nanorods, ZnO-encapsulated ZnO nanorods, and Cr-doped ZnO-encapsulated ZnO nanorods have been investigated. Encapsulated ZnO nanorods were grown using a simple two-stage method in which ZnO nanorods were first grown on a glass substrate directly from a hydrothermal bath, then encapsulated with a thin layer of Cr-doped ZnO by dip coating. Comparative study of x-ray diffraction patterns showed that Cr was successfully incorporated into the shell layer of ZnO nanorods. Moreover, energy-dispersive x-ray spectroscopy confirmed presence of Cr in this sample. It was observed that the thickness of the shell layer around the core of the ZnO nanorods was at least about 20 nm. Transmission electron microscopy of bare ZnO nanorods revealed single-crystalline structure. Based on optical results, both the encapsulation process and addition of Cr dopant decreased the optical bandgap of the samples. Indeed, the optical bandgap values of Cr-doped ZnO-encapsulated ZnO nanorods, ZnO-encapsulated ZnO nanorods, and bare ZnO nanorods were 2.89 eV, 3.15 eV, and 3.34 eV, respectively. The ultraviolet (UV) parameters demonstrated that incorporation of Cr dopant into the shell layer of ZnO nanorods considerably facilitated formation and transportation of photogenerated carriers, optimizing their performance as a practical UV detector. As a result, the photocurrent of the Cr-doped ZnO-encapsulated ZnO nanorods was the highest (0.6 mA), compared with ZnO-encapsulated ZnO nanorods and bare ZnO nanorods (0.21 mA and 0.06 mA, respectively).

  12. The Role of Dopant Ions on Charge Injection and Transport in Electrochemically Doped Quantum Dot Films

    Science.gov (United States)

    2018-01-01

    Control over the charge density is very important for implementation of colloidal semiconductor nanocrystals into various optoelectronic applications. A promising approach to dope nanocrystal assemblies is charge injection by electrochemistry, in which the charge compensating electrolyte ions can be regarded as external dopant ions. To gain insight into the doping mechanism and the role of the external dopant ions, we investigate charge injection in ZnO nanocrystal assemblies for a large series of charge compensating electrolyte ions with spectroelectrochemical and electrochemical transistor measurements. We show that charge injection is limited by the diffusion of cations in the nanocrystal films as their diffusion coefficient are found to be ∼7 orders of magnitude lower than those of electrons. We further show that the rate of charge injection depends strongly on the cation size and cation concentration. Strikingly, the onset of electron injection varies up to 0.4 V, depending on the size of the electrolyte cation. For the small ions Li+ and Na+ the onset is at significantly less negative potentials. For larger ions (K+, quaternary ammonium ions) the onset is always at the same, more negative potential, suggesting that intercalation may take place for Li+ and Na+. Finally, we show that the nature of the charge compensating cation does not affect the source-drain electronic conductivity and mobility, indicating that shallow donor levels from intercalating ions fully hybridize with the quantum confined energy levels and that the reorganization energy due to intercalating ions does not strongly affect electron transport in these nanocrystal assemblies. PMID:29718666

  13. Direct observation of dopant distribution in GaAs compound semiconductors using phase-shifting electron holography and Lorentz microscopy.

    Science.gov (United States)

    Sasaki, Hirokazu; Otomo, Shinya; Minato, Ryuichiro; Yamamoto, Kazuo; Hirayama, Tsukasa

    2014-06-01

    Phase-shifting electron holography and Lorentz microscopy were used to map dopant distributions in GaAs compound semiconductors with step-like dopant concentration. Transmission electron microscope specimens were prepared using a triple beam focused ion beam (FIB) system, which combines a Ga ion beam, a scanning electron microscope, and an Ar ion beam to remove the FIB damaged layers. The p-n junctions were clearly observed in both under-focused and over-focused Lorentz microscopy images. A phase image was obtained by using a phase-shifting reconstruction method to simultaneously achieve high sensitivity and high spatial resolution. Differences in dopant concentrations between 1 × 10(19) cm(-3) and 1 × 10(18) cm(-3) regions were clearly observed by using phase-shifting electron holography. We also interpreted phase profiles quantitatively by considering inactive layers induced by ion implantation during the FIB process. The thickness of an inactive layer at different dopant concentration area can be measured from the phase image. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  14. P2 Asymmetry of Au's M-band Flux and its smoothing effect due to high-Z ablator dopants

    Science.gov (United States)

    Li, Yongsheng; Zhai, Chuanlei; Ren, Guoli; Gu, Jianfa; Huo, Wenyi; Meng, Xujun; Ye, Wenhua; Lan, Ke; Zhang, Weiyan

    2017-10-01

    X-ray drive asymmetry is one of the main seeds of low-mode implosion asymmetry that blocks further improvement of the nuclear performance of ``high-foot'' experiments on the National Ignition Facility. More particularly, the P2 asymmetry of Au's M-band flux can also severely influence the implosion performance. Here we study the smoothing effect of mid- and/or high-Z dopants in ablator on M-band flux asymmetries, by modeling and comparing the implosion processes of a Ge-doped and a Si-doped ignition capsule driven by x-ray sources with asymmetric M-band flux. As the results, (1) mid- or high-Z dopants absorb M-band flux and re-emit isotropically, helping to smooth M-band flux arriving at the ablation front, therefore reducing the P2 asymmetries of the imploding shell and hot spot; (2) the smoothing effect of Ge-dopant is more remarkable than Si-dopant due to its higher opacity than the latter in Au's M-band; and (3) placing the doped layer at a larger radius in ablator is more efficient. Applying this effect may not be a main measure to reduce the low-mode implosion asymmetry, but might be of significance in some critical situations such as Inertial Confinement Fusion (ICF) experiments very near the performance cliffs of asymmetric x-ray drives.

  15. On the roles of the dopants in LiF: Mg,Cu,Na,Si thermoluminescent material

    International Nuclear Information System (INIS)

    Lee, J. I.; Kim, J. L.; Chang, S. Y.; Chung, K. S.; Choe, H. S.

    2005-01-01

    In this paper, some results of the study on the roles of the dopants in the LiF:Mg,Cu,Na,Si thermoluminescent (TL) material that was developed at the Korea Atomic Energy Research Inst. for radiation protection are presented. Although there have been many studies to investigate the roles of the dopants in LiF:Mg,Cu,P TL material in the TL process, there are some discrepancies in the understanding of the roles of Cu and P between various researchers. In case of LiF:Mg,Cu,Na,Si TL material, there are a few studies on the roles of the dopants. Three kinds of samples in each of which one dopant is excluded, and the optimised sample, were prepared for this study. The measurements and analysis of the three-dimensional TL spectra, based on the temperature, wavelength and intensity, and the glow curves for those samples are used in this study. The results show that Mg plays a role in the trapping of the charge carriers and Cu plays a role in the luminescence recombination process; however, the effect of Na and Si on the glow curve structure and the TL emission spectra is much less than that of Mg and Cu. It is considered that Na and Si each plays a role in the improvement of the luminescence efficiency. (authors)

  16. Analysis of the dopant distribution in Co-deposited organic thin films by scanning transmission electron microscopy

    International Nuclear Information System (INIS)

    Paredes, Yolanda A.; Campos, Andrea P.C.; Achete, Carlos A.; Cremona, Marco

    2015-01-01

    Organic light-emitting diodes using phosphorescent dyes (PHOLEDs) have excellent performance, with internal quantum efficiencies approaching 100%. To maximize their performance, PHOLED devices use a conductive organic host material with a sufficiently dispersed phosphorescent guest to avoid concentration quenching. Fac-tris(2-phenylpyridine) iridium, [Ir(ppy)_3] is one of the most widely used green phosphorescent organic compounds. In this work, we used scanning transmission electron microscopy (STEM) equipped with HAADF (high-angle annular dark-field) and EDS (energy dispersive X-ray spectroscopy) detectors to analyze the distribution of the [Ir(ppy)_3] concentration in the host material. This analysis technique, employed for the first time in co-deposited organic thin films, can simultaneously obtain an image and its respective chemical information, allowing for definitive characterization of the distribution and morphology of [Ir(ppy)_3]. The technique was also used to analyze the effect of the vibration of the substrate during thermal co-deposition of the [Ir(ppy)_3] molecules into an organic matrix. - Highlights: • We present a methodology to analyze the dopant distribution in organic thin films. • The method combines HAADF-STEM imaging and EDS X-ray spectroscopy. • Ir(ppy)_3 dopant was co-deposited into Spiro2-CBP organic matrix. • The dopant was co-deposited with and without substrate vibration. • Images and chemical information of the dopant were simultaneously obtained.

  17. Analysis of the dopant distribution in Co-deposited organic thin films by scanning transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Paredes, Yolanda A. [Center of Nanotechnology and Nanoscience, Universidad de las Fuerzas Armadas ESPE, Sangolqui 171-5-31B (Ecuador); Campos, Andrea P.C.; Achete, Carlos A. [DIMAT—INMETRO, Xerém, Duque de Caxias, RJ 25250-020 (Brazil); Cremona, Marco [DIMAT—INMETRO, Xerém, Duque de Caxias, RJ 25250-020 (Brazil); Department of Physics, Pontifícia Universidade Católica do Rio de Janeiro, PUC-Rio, Rio de Janeiro, RJ 22453-970 (Brazil)

    2015-12-01

    Organic light-emitting diodes using phosphorescent dyes (PHOLEDs) have excellent performance, with internal quantum efficiencies approaching 100%. To maximize their performance, PHOLED devices use a conductive organic host material with a sufficiently dispersed phosphorescent guest to avoid concentration quenching. Fac-tris(2-phenylpyridine) iridium, [Ir(ppy){sub 3}] is one of the most widely used green phosphorescent organic compounds. In this work, we used scanning transmission electron microscopy (STEM) equipped with HAADF (high-angle annular dark-field) and EDS (energy dispersive X-ray spectroscopy) detectors to analyze the distribution of the [Ir(ppy){sub 3}] concentration in the host material. This analysis technique, employed for the first time in co-deposited organic thin films, can simultaneously obtain an image and its respective chemical information, allowing for definitive characterization of the distribution and morphology of [Ir(ppy){sub 3}]. The technique was also used to analyze the effect of the vibration of the substrate during thermal co-deposition of the [Ir(ppy){sub 3}] molecules into an organic matrix. - Highlights: • We present a methodology to analyze the dopant distribution in organic thin films. • The method combines HAADF-STEM imaging and EDS X-ray spectroscopy. • Ir(ppy){sub 3} dopant was co-deposited into Spiro2-CBP organic matrix. • The dopant was co-deposited with and without substrate vibration. • Images and chemical information of the dopant were simultaneously obtained.

  18. Crystal structure, chemical bond and enhanced performance of β-Zn4Sb3 compounds with interstitial indium dopant

    International Nuclear Information System (INIS)

    Tang, Dingguo; Zhao, Wenyu; Yu, Jian; Wei, Ping; Zhou, Hongyu; Zhu, Wanting; Zhang, Qingjie

    2014-01-01

    Highlights: • The interstitial In dopant leads to the local structural perturbations in β-Zn 4 Sb 3 . • The simultaneous increases in α and σ are observed in the In-doped Zn 4 Sb 3 compounds. • The In dopant plays different doping behaviors by the dopant contents in the samples. • A maximum ZT of 1.41 at 700 K is achieved for the In-doped Zn 4 Sb 3 compounds. - Abstract: In-doped β-Zn 4 Sb 3 compounds (Zn 4−x In x Sb 3 , 0 ⩽ x ⩽ 0.24) were prepared by melt-quenching and spark plasma sintering technology in the work. The resultant samples were systematically investigated by X-ray diffraction, X-ray photoelectron spectroscopy, differential scanning calorimetry and thermoelectric property measurements. The In dopant was identified to preferentially occupy the interstitial site in β-Zn 4 Sb 3 and led to the local structural perturbations near the 12c Sb2 and 36f Zn1 sites. The Auger parameters of Zn and Sb indicated that the increase in the valence of Zn was attributed to the charge transfer from Zn to In atoms. The binding energies of In 3d 5/2 core level showed that the interstitial In dopant was n-type dopant (In 3+ ) in slightly In-doped Zn 4−x In x Sb 3 , but acted as acceptor and was p-type dopant (In + ) in heavily In-doped ones. The discovery provides a reasonable explanation for the puzzled relation between σ and x for Zn 4−x In x Sb 3 . Simultaneously increasing the electrical conductivity and Seebeck coefficient of Zn 4−x In x Sb 3 can be realized through the local structural perturbations. The significantly enhanced power factor and the intrinsic low thermal conductivity resulted in a remarkable increase in the dimensionless figure of merit (ZT). The highest ZT reached 1.41 at 700 K for Zn 3.82 In 0.18 Sb 3 and increased by 68% compared with that of the undoped β-Zn 4 Sb 3

  19. Multicomponent mixed dopant optimization for rapid screening of polycyclic aromatic hydrocarbons using ultra high performance liquid chromatography coupled to atmospheric pressure photoionization high-resolution mass spectrometry

    KAUST Repository

    Sioud, Salim

    2012-05-04

    RATIONALE To enhance the ionization efficiencies in atmospheric pressure photoionization mass spectrometry a dopant with favorable ionization energy such as chlorobenzene is typically used. These dopants are typically toxic and difficult to mix with water-soluble organic solvents. In order to achieve a more efficient and less toxic dopant, a multicomponent mixed dopant was explored. METHODS A multicomponent mixed dopant for non-targeted rapid screening of polycyclic aromatic hydrocarbons (PAHs) was developed and optimized using ultra high performance liquid chromatography (UPLC) coupled to atmospheric pressure photoionization high-resolution mass spectrometry. Various single and multicomponent mixed dopants consisting of ethanol, chlorobenzene, bromobenzene, anisole and toluene were evaluated. RESULTS Fourteen out of eighteen PAHs were successfully separated and detected at low pg/μL levels within 5 min with high mass accuracy ≤4 ppm. The optimal mixed multicomponent dopant consisted of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v %) and it improved the limit of detection (LOD) by 2- to 10-fold for the tested PAHs compared to those obtained with pure chlorobenzene. CONCLUSIONS A novel multicomponent dopant that contains 99% ethanol and 1% mixture of chlorobenzene, bromobenzene and anisole was found to be an effective dopant mixture to ionize PAHs. The developed UPLC multicomponent dopant assisted atmospheric pressure photoionization high-resolution mass spectrometry offered a rapid non targeted screening method for detecting the PAHs at low pg/;μL levels within a 5 min run time with high mass accuracy a;circ4 ppm. Copyright © 2012 John Wiley & Sons, Ltd.

  20. The use of isoprene as a novel dopant in negative ion atmospheric pressure photoionization mass spectrometry coupled to high-performance liquid chromatography.

    Science.gov (United States)

    Dousty, Faezeh; O'Brien, Rob

    2015-06-15

    As in the case with positive ion atmospheric pressure photoionization (PI-APPI), the addition of dopants significantly improves the sensitivity of negative ion APPI (NI-APPI). However, the research on dopant-assisted-NI-APPI has been quite limited compared to the studies on dopant-assisted PI-APPI. This work presents the potential of isoprene as a novel dopant for NI-APPI. Thirteen compounds, possessing suitable gas-phase ion energetic properties in order to make stable negative ions, were selected. Dopants were continuously introduced into a tee junction prior to the ion source through a fused-silica capillary, while analytes were directly injected into the same tee. Then both were mixed with the continuous solvent from high-performance liquid chromatography (HPLC), nebulized, and entered the source. The nebulized stream was analyzed by APPI tandem quadrupole mass spectrometry in the negative ion mode. The results obtained using isoprene were compared with those obtained by using toluene as a dopant and dopant-free NI-APPI. Isoprene enhanced the ionization intensities of the studied compounds, which were found to be comparable and, in some cases, more effective than toluene. The mechanisms leading to the observed set of negative analyte ions were also discussed. Because in NI-APPI, thermal electrons, which are produced during the photoionization of a dopant, are considered the main reagent ions, both isoprene and toluene promoted the ionization of analytes through the same mechanisms, as expected. Isoprene was shown to perform well as a novel dopant for NI-APPI. Isoprene has a high photoabsorption cross section in the VUV region; therefore, its photoionization leads to a highly effective production of thermal electrons, which further promotes the ionization of analytes. In addition, isoprene is environmentally benign and less toxic compared to currently used dopants. Copyright © 2015 John Wiley & Sons, Ltd.

  1. Theoretical study of defects Cu{sub 3}SbSe{sub 4}: Search for optimum dopants for enhancing thermoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Do, Dat T., E-mail: dodat@msu.edu; Mahanti, S.D., E-mail: mahanti@pa.msu.edu

    2015-03-15

    Highlights: • We present the first systematic study of defects in Cu{sub 3}SbSe{sub 4}. • Possible n-type and p-type dopants are suggested for Cu and Sb site. • Transition-metal substitutions on Sb potentially improve thermoelectric properties. • Transition-metal substitutions on Se strongly distort local crystal geometry. • p-type behavior of as synthesized Cu{sub 3}SbSe{sub 4} is most likely due to Cu. - Abstract: Cu{sub 3}SbSe{sub 4} is a promising thermoelectric material due to high thermopower (>400μV/K) at 300 K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of band gap formation is quite subtle due to the importance of active lone pair (5s{sup 2}) of Sb and the non-local exchange interaction between these and Se 5p electrons. Since for any application of semiconductors understanding the properties of defects is essential, we discuss the results of a systematic study of several point defects in Cu{sub 3}SbSe{sub 4} including vacancies and substitutions for each of the components. First principles calculations using density functional theory show that among variety of possible dopants, p-type doping can be done by substituting Sb with group IV elements including Sn, Ge, Pb and Ti and n-type doping can be done by replacing Cu by Mg, Zn. Doping at the Se site appears to be rather difficult. Electronic structure calculations also suggest that the p-type behavior seen in nominally pure Cu{sub 3}SbSe{sub 4} is most likely due to Cu vacancy rather than Se vacancy.

  2. Advantage of TiF{sub 3} over TiCl{sub 3} as a dopant precursor to improve the thermodynamic property of Na{sub 3}AlH{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Kang Xiangdong [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Wang Ping [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)]. E-mail: pingwang@imr.ac.cn; Cheng Huiming [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

    2007-03-15

    The effect of the dopant anion on thermodynamic tailoring in TiF{sub 3}- and TiCl{sub 3}-doped Na{sub 3}AlH{sub 6} was investigated by pressure-composition desorption isotherm measurements. It was found that the dissociation pressure of the TiF{sub 3}-doped hydride was substantially higher than that of the TiCl{sub 3}-doped sample. This finding agrees well with the theoretically demonstrated thermodynamic modification arising upon F{sup -} substitution in the hydride lattice, thus providing direct experimental evidence to support functionality of F{sup -} anion.

  3. Technical report Development of a piezoelectric inkjet dopant delivery device for an atmospheric pressure photoionization source with liquid chromatography/mass spectrometry

    KAUST Repository

    Amad, Maan H.

    2013-01-01

    This paper describes a simple robust and integrated piezoelectric actuated printhead as a dopant delivery system for atmospheric pressure photoionization with liquid chromatography/mass spectrometry The newly designed dopant delivery system avoids problems associated with traditional liquid delivery systems such as solvent immiscibility backpressure and increased post-column dead volume issues The performance of the new device was tested and evaluated using chlorobenzene as a dopant with a test mixture consisting of 18 different polycyclic aromatic hydrocarbons (PAHs) The results show that the new system works robustly at low dopant consumption level (16 uL min-1) consuming only approximately 5% of the amount used by conventional sources The low dopant consumption has resulted in up to a 20-fold reduction in signal intensity of tested PAH molecules but has led to less presence of background cluster ions and dopant trace contaminant background ions in the source area Consequently all tested PAHs were detected with excellent signal-to-noise ratio with at least two-to ten-fold improvements in the limit of detection and quantification compared to those obtained with traditional dopant assistance using a post-column addition method © IM Publications LLP 2013.

  4. Influence of Ni-dopant on the properties of synthetic goethite

    International Nuclear Information System (INIS)

    Krehula, Stjepko; Music, Svetozar; Popovic, Stanko

    2005-01-01

    The influence of Ni-dopant on the properties of α-FeOOH was investigated by XRD, FT-IR, 57 Fe Moessbauer spectroscopy and transmission electron microscopy. α-FeOOH was synthesized at a highly alkaline pH by precipitation from the FeCl 3 solution with the addition of tetramethylammonium hydroxide and autoclaving at 160 o C. The samples doped with Ni 2+ ions were precipitated in the same way, but in the presence of varying concentrations of NiCl 2 . Solid solutions, having the structure of α-FeOOH, were observed in samples with the Ni/Fe ratio up to 0.05. Upon increasing the amount of Ni-dopant the XRD lines were gradually broadened. The sample with the ratio Ni/Fe=0.10 showed NiFe 2 O 4 , besides the dominant phase having the structure type of α-FeOOH. Shifts of IR bands at 892 and 796cm -1 were not observed in all samples doped with Ni. For the ratio Ni/Fe=0.10, the IR bands centered at 631 and 404cm -1 were significantly broadened. RT Moessbauer spectrum of undoped α-FeOOH and Ni-doped α-FeOOH showed distributions of hyperfine magnetic fields. B hf decreased from 35.1T for an undoped α-FeOOH to 32.1T for α-FeOOH containing Ni 2+ ions (Ni/Fe=0.05). The saturation of the α-FeOOH structure with Ni 2+ ions in amounts higher than ∼5mol% was also observed by Moessbauer spectroscopy. The particle size (length) of acicular α-FeOOH particles with a maximum in the interval 180-220nm was slightly decreased with Ni-doping, but the distribution of the length/width ratio showed no change, having a maximum at 4-5. TEM photographs additionally showed small populations of cubic-shaped or pseudocubic particles of ∼10nm in size for the ratio Ni/Fe=0.05 and about 10-20nm in size for the ratio Ni/Fe=0.10. These particles were assigned to NiFe 2 O 4

  5. Physical properties of high-Tc superconducting oxides. Modification of tc using organic dopants. Final report. Proprietes physiques d'oxydes supraconducteurs a haute Tc. Modification de tc sous l'effet de dopants organiques

    Energy Technology Data Exchange (ETDEWEB)

    Brau, A

    1993-01-01

    An attempt was made to significantly modify the Tc transition temperature of certain copper-based superconducting oxides by introducing organic or mineral dopants, and to study the mobility of 300K-carriers in crystallized tallium-base superconducting oxides. Since the critical transition temperature of superconducting oxides is highly influenced by the density of the free carriers they contain, the authors tried making superconducting powders react with either an organic electron acceptor or a mineral compound. The goal was to increase the density of the holes by altering the copper's degree of oxidation. Their preparatory work showed a direct charge-transfer reaction between the electron-donor copper and the acceptor TCNQ and studied the degree to which the electron acceptor can alter the copper's oxidation. Initial results also showed that dopants can affect superconducting Tc and the course of R(T) curves.

  6. Schottky Barrier Height Tuning via the Dopant Segregation Technique through Low-Temperature Microwave Annealing.

    Science.gov (United States)

    Fu, Chaochao; Zhou, Xiangbiao; Wang, Yan; Xu, Peng; Xu, Ming; Wu, Dongping; Luo, Jun; Zhao, Chao; Zhang, Shi-Li

    2016-04-27

    The Schottky junction source/drain structure has great potential to replace the traditional p/n junction source/drain structure of the future ultra-scaled metal-oxide-semiconductor field effect transistors (MOSFETs), as it can form ultimately shallow junctions. However, the effective Schottky barrier height (SBH) of the Schottky junction needs to be tuned to be lower than 100 meV in order to obtain a high driving current. In this paper, microwave annealing is employed to modify the effective SBH of NiSi on Si via boron or arsenic dopant segregation. The barrier height decreased from 0.4-0.7 eV to 0.2-0.1 eV for both conduction polarities by annealing below 400 °C. Compared with the required temperature in traditional rapid thermal annealing, the temperature demanded in microwave annealing is ~60 °C lower, and the mechanisms of this observation are briefly discussed. Microwave annealing is hence of high interest to future semiconductor processing owing to its unique capability of forming the metal/semiconductor contact at a remarkably lower temperature.

  7. Polycrystalline silicon carbide dopant profiles obtained through a scanning nano-Schottky contact

    Energy Technology Data Exchange (ETDEWEB)

    Golt, M. C.; Strawhecker, K. E.; Bratcher, M. S. [U.S. Army Research Laboratory, WMRD, Aberdeen Proving Ground, Maryland 21005 (United States); Shanholtz, E. R. [ORISE, Belcamp, Maryland 21017 (United States)

    2016-07-14

    The unique thermo-electro-mechanical properties of polycrystalline silicon carbide (poly-SiC) make it a desirable candidate for structural and electronic materials for operation in extreme environments. Necessitated by the need to understand how processing additives influence poly-SiC structure and electrical properties, the distribution of lattice defects and impurities across a specimen of hot-pressed 6H poly-SiC processed with p-type additives was visualized with high spatial resolution using a conductive atomic force microscopy approach in which a contact forming a nano-Schottky interface is scanned across the sample. The results reveal very intricate structures within poly-SiC, with each grain having a complex core-rim structure. This complexity results from the influence the additives have on the evolution of the microstructure during processing. It was found that the highest conductivities localized at rims as well as at the interface between the rim and the core. The conductivity of the cores is less than the conductivity of the rims due to a lower concentration of dopant. Analysis of the observed conductivities and current-voltage curves is presented in the context of nano-Schottky contact regimes where the conventional understanding of charge transport to diode operation is no longer valid.

  8. Transition Metal Dopants Essential for Producing Ferromagnetism in Metal Oxide Nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Lydia; Thurber, Aaron P.; Anghel, Josh; Sabetian, Maryam; Engelhard, Mark H.; Tenne, D.; Hanna, Charles; Punnoose, Alex

    2010-08-13

    Recent claims that ferromagnetism can be produced in nanoparticles of metal oxides without the presence of transition metal dopants has been refuted in this work by investigating 62 high quality well-characterized nanoparticle samples of both undoped and Fe doped (0-10% Fe) ZnO. The undoped ZnO nanoparticles showed zero or negligible magnetization, without any dependence on the nanoparticle size. However, chemically synthesized Zn₁₋xFexO nanoparticles showed clear ferromagnetism, varying systematically with Fe concentration. Furthermore, the magnetic properties of Zn₁₋xFexO nanoparticles showed strong dependence on the reaction media used to prepare the samples. The zeta potentials of the Zn₁₋xFexO nanoparticles prepared using different reaction media were significantly different, indicating strong differences in the surface structure. Electron paramagnetic resonance studies clearly showed that the difference in the ferromagnetic properties of Zn₁₋xFexO nanoparticles with different surface structures originate from differences in the fraction of the doped Fe³⁺ ions that are coupled ferromagnetically.

  9. Polycrystalline silicon carbide dopant profiles obtained through a scanning nano-Schottky contact

    International Nuclear Information System (INIS)

    Golt, M. C.; Strawhecker, K. E.; Bratcher, M. S.; Shanholtz, E. R.

    2016-01-01

    The unique thermo-electro-mechanical properties of polycrystalline silicon carbide (poly-SiC) make it a desirable candidate for structural and electronic materials for operation in extreme environments. Necessitated by the need to understand how processing additives influence poly-SiC structure and electrical properties, the distribution of lattice defects and impurities across a specimen of hot-pressed 6H poly-SiC processed with p-type additives was visualized with high spatial resolution using a conductive atomic force microscopy approach in which a contact forming a nano-Schottky interface is scanned across the sample. The results reveal very intricate structures within poly-SiC, with each grain having a complex core-rim structure. This complexity results from the influence the additives have on the evolution of the microstructure during processing. It was found that the highest conductivities localized at rims as well as at the interface between the rim and the core. The conductivity of the cores is less than the conductivity of the rims due to a lower concentration of dopant. Analysis of the observed conductivities and current-voltage curves is presented in the context of nano-Schottky contact regimes where the conventional understanding of charge transport to diode operation is no longer valid.

  10. Dopant site location in dual-implanted GaP using (111) planar channeling

    International Nuclear Information System (INIS)

    Parikh, N.R.; Kao, C.T.; Lee, D.R.; Muse, J.; Swanson, M.L.; Venkatasubramanian, R.; Timmons, M.

    1990-01-01

    Previous studies have indicated that dual implantation can efficiently introduce group IV dopant onto selected sub-lattice sites in III--V compound semiconductors, thus enhancing electrical activation. The authors have studied this phenomenon in GaP using Rutherford Backscattering Spectroscopy (RBS) to determine the lattice location of Sn atoms. The authors used single crystals of GaP (100) which had been implanted at 400 degrees C with 120 Sn + following previously implanted 69 Ga + or 31 P + . Energies were selected for equivalent projected ranges, and all species were implanted with doses of 1 x 10 15 atoms/cm 2 . Asymmetry in the angular scan of the {111} planar channel was then used to determine the sub-lattice location of the implanted Sn. RBS results indicated that for all implants Sn atoms were substituting Ga and P sites equally. However, Hall effect measurements gave p type conduction for GaP implanted with Sn alone, while those with prior implants of Ga or P resulted in n-type conduction. RBS and Hall effect results are explained by a vacancy complex model

  11. Diagnosing the Stagnation Conditions of MagLIF Implosions Using Co and Kr dopants

    Science.gov (United States)

    Harding, E. C.; Hansen, S. B.; Harvey-Thompson, A. J.; Weis, M. R.; Hahn, K. D.; Gomez, M. R.; Knapp, P. F.; Slutz, S. A.; Geissel, M.; Ampleford, D. J.; Jennings, C. A.; Peterson, K.; Rochau, G. A.; Doron, R.; Stambulchik, E.; Nedostup, O.; Maron, Y.; Golovkin, I.

    2017-10-01

    Recent experiments on the Z-machine tested several new diagnostic techniques for investigating the stagnation conditions and the origins of the mix present in a Magnetized Liner Inertial Fusion (MagLIF) target. For the first time we have collected K-shell spectra from a low-concentration, Kr dopant placed in the gaseous D2 fuel. In addition, thin Co coatings were strategically applied to three different internal surfaces of the target in order to assess which surfaces actively contribute to the contamination of the fuel. Both imaging spectroscopy and narrow-band crystal imaging were used to identify the location of He-like Co ions. The Te and ne of the Co is inferred by fitting the He-alpha lines and the near-by Li-like satellites. The experimental measurements and the challenges associated with the analysis will be discussed. Sandia Natl Lab is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. DOE NNSA under contract DE-NA-0003525.

  12. Dopant-free twinning superlattice formation in InSb and InP nanowires

    International Nuclear Information System (INIS)

    Yuan, Xiaoming; Guo, Yanan; Caroff, Philippe; Tan, Hark Hoe; Jagadish, Chennupati; He, Jun

    2017-01-01

    Periodic arrangement of twin planes creates a controllable polytype that can affect both the electronic and optical properties of nanowires. The approach that is most used for inducing twinning superlattice (TSL) formation in III-V nanowires is introducing impurity dopants during growth. Here, we demonstrate that controlling the growth parameters is sufficient to produce regular twinning planes in Au-catalysed InSb and InP nanowires. Our results show that TSL formation in InSb nanowires only exists in a very narrow growth window. We suggest that growth conditions induce a high concentration of In (or Sb) in the Au droplet, which plays a similar role to that of surfactant impurities such as Zn, and increases the droplet wetting angle to yield a geometry that is favorable for TSL formation. The demonstration of TSL structure in InSb and InP nanowires by controlling the input of In (or Sb) further enhances fundamental understanding of TSL formation in III-V nanowires and allows us to tune the properties of these nanowires by crystal phase engineering. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Defect- and dopant-controlled carbon nanotubes fabricated by self-assembly of graphene nanoribbons

    Institute of Scientific and Technical Information of China (English)

    Cun Zhang and Shaohua Chen

    2015-01-01

    Molecular dynamics simulations showed that a basal carbon nanotube can activate and guide the fabrication of single-walled carbon nanotubes (CNTs) on its internal surface by self-assembly of edge-unpassivated graphene nanoribbons with defects. Furthermore, the distribution of defects on self-assembled CNTs is controllable. The system temperature and defect fraction are two main factors that influence the success of self-assembly. Due to possible joint flaws formed at the boundaries under a relatively high constant temperature, a technique based on increasing the temperature is adopted. Self-assembly is always successful for graphene nanoribbons with relatively small defect fractions, while it will fail in cases with relatively large ones. Similar to the self-assembly of graphene nanoribbons with defects, graphene nanoribbons with different types of dopants can also be self-assembled into carbon nanotubes. The finding provides a possible fabrication technique not only for carbon nanotubes with metallic or semi-con- ductive properties but also for carbon nanotubes with electromagnetic induction characteristics.

  14. Dopant-free twinning superlattice formation in InSb and InP nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Xiaoming [School of Physics and Electronics, Hunan Key Laboratory for Supermicrostructure and Ultrafast Process, Central South University, Changsha, Hunan (China); Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra, ACT (Australia); Guo, Yanan; Caroff, Philippe; Tan, Hark Hoe; Jagadish, Chennupati [Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra, ACT (Australia); He, Jun [School of Physics and Electronics, Hunan Key Laboratory for Supermicrostructure and Ultrafast Process, Central South University, Changsha, Hunan (China)

    2017-11-15

    Periodic arrangement of twin planes creates a controllable polytype that can affect both the electronic and optical properties of nanowires. The approach that is most used for inducing twinning superlattice (TSL) formation in III-V nanowires is introducing impurity dopants during growth. Here, we demonstrate that controlling the growth parameters is sufficient to produce regular twinning planes in Au-catalysed InSb and InP nanowires. Our results show that TSL formation in InSb nanowires only exists in a very narrow growth window. We suggest that growth conditions induce a high concentration of In (or Sb) in the Au droplet, which plays a similar role to that of surfactant impurities such as Zn, and increases the droplet wetting angle to yield a geometry that is favorable for TSL formation. The demonstration of TSL structure in InSb and InP nanowires by controlling the input of In (or Sb) further enhances fundamental understanding of TSL formation in III-V nanowires and allows us to tune the properties of these nanowires by crystal phase engineering. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. The effects of dopants on the electrical resistivity in lead magnesium niobate multilayer ceramic capacitors

    International Nuclear Information System (INIS)

    Chang, D.D.; Ling, H.C.

    1989-01-01

    Electrical resistivity studies were performed on multilayer ceramic capacitors (MLC) based on lead magnesium niobate and containing dopants of lead titanate, lead zinc niobate, and lead cobalt niobate. The results showed that lead titanate and/or lead zinc niobate had no effect on the electrical resistivity while lead cobalt niobate decreased the resistivity. In samples without lead cobalt niobate, we observed a conduction mechanism with an activation energy of --1 eV, which is commonly observed in barium titanate based dielectrics. This is attributed to ionic conduction via the motion of oxygen vacancies. The increase in conductivity (or decrease in resistivity) resulting from the addition of lead cobalt niobate was rationalized as due to electronic conduction through charge hopping among the cations. This conduction mechanism was characterized by an activation energy of --0.5 eV. Since the activation energy associated with the long-term failure was previously determined by a matrix of temperature and voltage accelerated life tests to be -- 1 eV, they conclude that conduction through charge hopping is not affecting the long-term reliability of these devices

  16. P2 asymmetry of Au's M-band flux and its smoothing effect due to high-Z ablator dopants

    Directory of Open Access Journals (Sweden)

    Yongsheng Li

    2017-03-01

    Full Text Available X-ray drive asymmetry is one of the main seeds of low-mode implosion asymmetry that blocks further improvement of the nuclear performance of “high-foot” experiments on the National Ignition Facility [Miller et al., Nucl. Fusion 44, S228 (2004]. More particularly, the P2 asymmetry of Au's M-band flux can also severely influence the implosion performance of ignition capsules [Li et al., Phys. Plasmas 23, 072705 (2016]. Here we study the smoothing effect of mid- and/or high-Z dopants in ablator on Au's M-band flux asymmetries, by modeling and comparing the implosion processes of a Ge-doped ignition capsule and a Si-doped one driven by X-ray sources with P2 M-band flux asymmetry. As the results, (1 mid- or high-Z dopants absorb hard X-rays (M-band flux and re-emit isotropically, which helps to smooth the asymmetric M-band flux arriving at the ablation front, therefore reducing the P2 asymmetries of the imploding shell and hot spot; (2 the smoothing effect of Ge-dopant is more remarkable than Si-dopant because its opacity in Au's M-band is higher than the latter's; and (3 placing the doped layer at a larger radius in ablator is more efficient. Applying this effect may not be a main measure to reduce the low-mode implosion asymmetry, but might be of significance in some critical situations such as inertial confinement fusion (ICF experiments very near the performance cliffs of asymmetric X-ray drives.

  17. Selectivity improvement of positive photoionization ion mobility spectrometry for rapid detection of organophosphorus pesticides by switching dopant concentration.

    Science.gov (United States)

    Zhou, Qinghua; Li, Jia; Wang, Bin; Wang, Shuang; Li, Haiyang; Chen, Jinyuan

    2018-01-01

    Ion mobility spectrometry (IMS) opened a potential avenue for the rapid detection of organophosphorus pesticides (OPPs), though an improved selectivity of stand-alone IMS was still in high demand. In this study, a stand-alone positive photoionization ion mobility spectrometry (PP-IMS) apparatus was constructed for the rapid detection of OPPs with acetone as dopant. The photoionization of acetone molecules was induced by the ultraviolet irradiation to produce the reactant ions (Ac) 2 H + , which were employed to ionize the OPPs including fenthion, imidan, phosphamidon, dursban, dimethoate and isocarbophos via the proton transfer reaction. Due to the difference in proton affinity, the tested OPPs exhibited the different dopant-dependent manners. Based on this observation, the switching of dopant concentration was implemented to improve the selectivity of PP-IMS for OPPs detection. For instance, a mixture of fenthion, dursban and dimethoate was tested. By switching the concentration of doped acetone from 0.07 to 2.33 to 19.94mgL -1 , the ion peaks of fenthion and dursban were inhibited in succession, achieving the selective detection of dimethoate at last. In addition, another mixture of imidan and phosphamidon was initially detected by PP-IMS with a dose of 0.07mgL -1 acetone, indicating that their ion peaks were severely overlapped; when the concentration of doped acetone was switched to 19.94mgL -1 , the inhibition of imidan signals promised the accurate identification of phosphamidon in mixture. Finally, the PP-IMS in combination of switching dopant concentration was applied to detect the mixed fenthion, dursban and dimethoate in Chinese cabbage, demonstrating the applicability of proposed method to real samples. Copyright © 2017. Published by Elsevier B.V.

  18. The Origin of Improved Electrical Double-Layer Capacitance by Inclusion of Topological Defects and Dopants in Graphene for Supercapacitors.

    Science.gov (United States)

    Chen, Jiafeng; Han, Yulei; Kong, Xianghua; Deng, Xinzhou; Park, Hyo Ju; Guo, Yali; Jin, Song; Qi, Zhikai; Lee, Zonghoon; Qiao, Zhenhua; Ruoff, Rodney S; Ji, Hengxing

    2016-10-24

    Low-energy density has long been the major limitation to the application of supercapacitors. Introducing topological defects and dopants in carbon-based electrodes in a supercapacitor improves the performance by maximizing the gravimetric capacitance per mass of the electrode. However, the main mechanisms governing this capacitance improvement are still unclear. We fabricated planar electrodes from CVD-derived single-layer graphene with deliberately introduced topological defects and nitrogen dopants in controlled concentrations and of known configurations, to estimate the influence of these defects on the electrical double-layer (EDL) capacitance. Our experimental study and theoretical calculations show that the increase in EDL capacitance due to either the topological defects or the nitrogen dopants has the same origin, yet these two factors improve the EDL capacitance in different ways. Our work provides a better understanding of the correlation between the atomic-scale structure and the EDL capacitance and presents a new strategy for the development of experimental and theoretical models for understanding the EDL capacitance of carbon electrodes. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Dopant-site-dependent scattering by dislocations in epitaxial films of perovskite semiconductor BaSnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Useong; Park, Chulkwon; Kim, Rokyeon; Mun, Hyo Sik; Kim, Hoon Min; Kim, Namwook; Yu, Jaejun; Char, Kookrin, E-mail: kchar@phya.snu.ac.kr [Center for Strongly Correlated Materials Research, Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of); Ha, Taewoo; Kim, Jae Hoon [Department of Physics, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Hyung Joon; Kim, Tai Hoon; Kim, Kee Hoon [Center for Novel States of Complex Materials Research, Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of)

    2014-05-01

    We studied the conduction mechanism in Sb-doped BaSnO{sub 3} epitaxial films, and compared its behavior with that of the mechanism of its counterpart, La-doped BaSnO{sub 3}. We found that the electron mobility in BaSnO{sub 3} films was reduced by almost 7 times when the dopant was changed from La to Sb, despite little change in the effective mass of the carriers. This indicates that the scattering rate of conduction electrons in the BaSnO{sub 3} system is strongly affected by the site at which the dopants are located. More importantly, we found that electron scattering by threading dislocations also depends critically on the dopant site. We propose that the large enhancement of scattering by the threading dislocations in Sb-doped BaSnO{sub 3} films is caused by the combination effect of the change in the distribution of Sb impurities in the films, the formation of the Sb impurity clusters near the threading dislocations, and the conduction electron clustering near the Sb impurities.

  20. Dopant-site-dependent scattering by dislocations in epitaxial films of perovskite semiconductor BaSnO3

    Directory of Open Access Journals (Sweden)

    Useong Kim

    2014-05-01

    Full Text Available We studied the conduction mechanism in Sb-doped BaSnO3 epitaxial films, and compared its behavior with that of the mechanism of its counterpart, La-doped BaSnO3. We found that the electron mobility in BaSnO3 films was reduced by almost 7 times when the dopant was changed from La to Sb, despite little change in the effective mass of the carriers. This indicates that the scattering rate of conduction electrons in the BaSnO3 system is strongly affected by the site at which the dopants are located. More importantly, we found that electron scattering by threading dislocations also depends critically on the dopant site. We propose that the large enhancement of scattering by the threading dislocations in Sb-doped BaSnO3 films is caused by the combination effect of the change in the distribution of Sb impurities in the films, the formation of the Sb impurity clusters near the threading dislocations, and the conduction electron clustering near the Sb impurities.

  1. New cyclometalated Iridium(III) beta-dicetone complex as phosphorescent dopant in Organic light emitting devices

    Science.gov (United States)

    Ivanov, P.; Petrova, P.; Stanimirov, S.; Tomova, R.

    2017-01-01

    A new Bis[4-(benzothiazolato-N,C2‧-2-yl)-N,N-dimethylaniline]Iridium(III) acetylacetonate (Me2N-bt) 2Ir(acac) was synthesized and identified by 1H NMR and elemental analysis. The application of the new compound as a dopant in the hole transporting layer (HTL) of Organic light emitting diode (OLED) structure: HTL/EL/ETL, where HTL was N,N’-bis(3-methylphenyl)-N,N’-diphenylbenzidine (TPD), incorporated in Poly(N-vinylcarbazole) (PVK) matrix, EL - electroluminescent layer of Bis(8-hydroxy-2-methylquinoline)-(4-phenylpheno-xy)aluminum (BAlq) and ETL - electron-transporting layer of Tris-(8-hydroxyquinoline) aluminum (Alq3) or Bis[2-(2-benzothiazoly) phenolato]zinc (Zn(btz)2). We established that the electroluminescent spectra of OLEDs at different concentrations of the dopant were basically the sum of the greenish-blue emission of BAlq and yellowish-green emission of Ir complex. It was found that with increasing of the dopant concentration the relative electroluminescent intensity of Iridium complex emission increased and this of BAlq decreased and as a result the fine tuning of OLED color was observed.

  2. On exceeding the solubility limit of Cr+3 dopants in SnO2 nanoparticles based dilute magnetic semiconductors

    Science.gov (United States)

    URS, Kusuma; Bhat, S. V.; Kamble, Vinayak

    2018-04-01

    The paper investigates the magnetic behavior of chromium doped SnO2 Dilute Magnetic Semiconductor (DMS) nanoparticles, through structural, spectroscopic, and magnetic studies. A non-equilibrium solution combustion method is adopted to synthesize 0-5 at. % Cr doped SnO2 nanoparticles. The detailed spectroscopic studies on the system using micro-Raman spectroscopy, x-ray photoelectron spectroscopy, and electron paramagnetic resonance spectroscopy along with the structural analysis confirm the presence of Cr in 3+ oxidation state, which substitutes at Sn4+ site in SnO6 octahedra of the rutile structure. This doping is found to enhance the defects in the system, i.e., oxygen vacancies. All the synthesized SnO2 nanoparticles (with or without dopants) are found to exhibit Room Temperature Ferromagnetism (RTFM). This occurrence of RTFM is attributed to the magnetic exchange interaction through F-centers of oxygen vacancies as well as dopant magnetic impurities and explained through the Bound Magnetic Polaron (BMP) model of DMS systems. Nonetheless, as the doping of Cr is further increased beyond 2%, the solubility limit is achieved. This antiferromagnetic exchange interaction from interstitial Cr dopants dominates over the BMP mechanism and, hence, leads to the decrease in the net magnetic moment drastically.

  3. Theoretical study of nitrogen-doped graphene nanoflakes: Stability and spectroscopy depending on dopant types and flake sizes.

    Science.gov (United States)

    Lin, Chih-Kai

    2018-03-05

    As nitrogen-doped graphene has been widely applied in optoelectronic devices and catalytic reactions, in this work we have investigated where the nitrogen atoms tend to reside in the material and how they affect the electron density and spectroscopic properties from a theoretical point of view. DFT calculations on N-doped hexagonal and rectangular graphene nanoflakes (GNFs) showed that nitrogen atoms locating on zigzag edges are obviously more stable than those on armchair edges or inside flakes, and interestingly, the N-hydrogenated pyridine moiety could be preferable to pure pyridine moiety in large models. The UV-vis absorption spectra of these nitrogen-doped GNFs display strong dependence on flake sizes, where the larger flakes have their major peaks in lower energy ranges. Moreover, the spectra exhibit different connections to various dopant types and positions: the graphitic-type dopant species present large variety in absorption profiles, while the pyridinic-type ones show extraordinary uniform stability and spectra independent of dopant positions/numbers and hence are hardly distinguishable from each other. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  4. A molecular dynamics study on the oxygen diffusion in doped fluorites: the effect of the dopant distribution

    Energy Technology Data Exchange (ETDEWEB)

    Tarancon, A. [M2E/XaRMAE/IREC, Department of Advanced Materials for Energy Applications, Catalonia Institute for Energy Research (IREC), Josep Pla 2, Torre 2, B2, 08019 Barcelona (Spain); Morata, A.; Peiro, F. [MIND/XaRMAE/IN2UB, Department of Electronics, University of Barcelona, Marti i Franques 1, 08028 Barcelona (Spain); Dezanneau, G. [Laboratoire Structures, Proprietes et Modelisation des Solides, Grande Voie des Vignes, Ecole Centrale Paris, F-92295 Chatenay-Malabry Cedex (France)

    2011-02-15

    The effect of the dopant distribution on the oxygen diffusion in doped fluorites typically used for solid oxide fuel cells electrolyte applications has been analysed by using molecular dynamics simulations. The oxygen mass transport in both yttria-stabilized zirconia (YSZ) and gadolinia-doped ceria has been studied and compared in the range of temperatures between 1,159 and 1,959 K. A new methodology based on the analysis of local environments is used to describe the diffusion process at an atomic scale. Preferred vacancy migration pathways, most suitable conduction models, energy landscapes and jump efficiency have been detailed for each material. Finally, a particular case of non-random distribution of dopants in YSZ is presented in order to quantitatively evaluate the effect of the dopant pattern on the mass transport properties and the potential of the methodology developed here for understanding and foreseeing real configurations at the nanoscale. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. A reliable method for the counting and control of single ions for single-dopant controlled devices

    International Nuclear Information System (INIS)

    Shinada, T; Kurosawa, T; Nakayama, H; Zhu, Y; Hori, M; Ohdomari, I

    2008-01-01

    By 2016, transistor device size will be just 10 nm. However, a transistor that is doped at a typical concentration of 10 18 atoms cm -3 has only one dopant atom in the active channel region. Therefore, it can be predicted that conventional doping methods such as ion implantation and thermal diffusion will not be available ten years from now. We have been developing a single-ion implantation (SII) method that enables us to implant dopant ions one-by-one into semiconductors until the desired number is reached. Here we report a simple but reliable method to control the number of single-dopant atoms by detecting the change in drain current induced by single-ion implantation. The drain current decreases in a stepwise fashion as a result of the clusters of displaced Si atoms created by every single-ion incidence. This result indicates that the single-ion detection method we have developed is capable of detecting single-ion incidence with 100% efficiency. Our method potentially could pave the way to future single-atom devices, including a solid-state quantum computer

  6. Dopant induced single electron tunneling within the sub-bands of single silicon NW tri-gate junctionless n-MOSFET

    Science.gov (United States)

    Uddin, Wasi; Georgiev, Yordan M.; Maity, Sarmistha; Das, Samaresh

    2017-09-01

    We report 1D electron transport of silicon junctionless tri-gate n-type transistor at 4.2 K. The step like curve observed in the current voltage characteristic suggests 1D transport. Besides the current steps for 1D transport, we found multiple spikes within individual steps, which we relate to inter-band single electron tunneling, mediated by the charged dopants available in the channel region. Clear Coulomb diamonds were observed in the stability diagram of the device. It is shown that a uniformly doped silicon nanowire can provide us the window for the single electron tunnelling. Back-gate versus front-gate color plot, where current is in a color scale, shows a crossover of the increased conduction region. This is a clear indication of the dopant-dopant interaction. It has been shown that back-gate biasing can be used to tune the coupling strength between the dopants.

  7. Reduced Graphene Oxide/Single-Walled Carbon Nanotube Hybrid Films Using Various p-Type Dopants and Their Application to GaN-Based Light-Emitting Diodes.

    Science.gov (United States)

    Lee, Byeong Ryong; Kim, Tae Geun

    2017-01-01

    This article reports the electrical and optical properties of the reduced graphene oxide (RGO)/single-walled carbon nanotube (SWCNT) films using various p-type dopants and their application to GaN-based light-emitting diodes. To enhance the current injection and spreading of the RGO/SWCNT films on the light-emitting diodes (LEDs), we increased the work function (Φ) of the films using chemical doping with AuCl₃, poly(3,4-ethylenedioxythiophene) oxidized with poly(4-styrenesulfonate) (PEDOT:PSS) and MoO₃; thereby reduced the Schottky barrier height between the RGO/SWCNT films and p-GaN. By comparison, LEDs fabricated with work-function-tuned RGO/SWCNT film doped with MoO₃ exhibited the decrease of the forward voltage from 5.3 V to 5.02 V at 20 mA and the increase of the output power up to 1.26 times. We also analyzed the current injection mechanism using ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy.

  8. Reduced Graphene Oxide/Single-Walled Carbon Nanotube Hybrid Film Using Various p-Type Dopants and Its Application to GaN-Based Light-Emitting Diodes.

    Science.gov (United States)

    Lee, Byeong Ryong; Kim, Tae Geun

    2016-06-01

    This paper reports the electrical and optical properties of the reduced graphene oxide (RGO)/single-walled carbon nanotube (SWNT) films using various p-type dopants and its application to GaN-based light-emitting diodes. To enhance the current injection and spreading of the RGO/SWNT films on the light-emitting diodes (LEDs), we increased the work function (φ) of the films using chemical doping with AuCl3, poly(3,4-ethylenedioxythiophene) oxidized with poly(4-styrenesulfonate) ( PSS) and MoO3; thereby reduced the Schottky barrier height between the RGO/SWNT films and p-GaN. By comparison, LEDs fabricated with work-function-tuned RGO/SWNT film doped with MoO3 exhibited the decrease of the forward voltage from 5.3 V to 5.02 V at 20 mA and the increase of the output power up to 1.26 times. We also analyzed the current injection mechanism using ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy.

  9. Hydrogen Storage Properties of Lithium Aluminohydride Modified by Dopants and Mechanochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hosokawa, Keita [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    Alkali metal aluminohydrides have high potential as solid hydrogen storage materials. They have been known for their irreversible dehydrogenation process below 100 atm until Bogdanovic et al [1, 2] succeeded in the re-hydrogenation of NaAlH4 below 70 atm. They achieved 4 wt.% H2 reversible capacity by doping NaAlH4 with Ti and/or Fe organo-metalic compounds as catalysts. This suggests that other alkali and, possibly alkaline earth metal aluminohydrides can be used for reversible hydrogen storage when modified by proper dopants. In this research, Zr27Ti9Ni38V5Mn16Cr5, LaNi4.85Sn0.15, Al3Ti, and PdCl2 were combined , LaNi4.85Sn0.15, Al3Ti, and PdCl2 were combined with LiAlH4 by ball-milling to study whether or not LiAlH4 is capable to both absorb and desorb hydrogen near ambient conditions. X-ray powder diffraction, differential thermal analysis, and scanning electron microscopy were employed for sample characterizations. All four compounds worked as catalysts in the dehydrogenation reactions of both LiAlH4 and Li3AlH6 by inducing the decomposition at lower temperature. However, none of them was applicable as catalyst in the reverse hydrogenation reaction at low to moderate hydrogen pressure.

  10. Hydrogen Storage Properties of Lithium Aluminohydride modified by dopants and mechanochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hosokawa, Keita [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    Alkali metal aluminohydrides have high potential as solid hydrogen storage materials. They have been known for their irreversible dehydrogenation process below 100 atm until Bogdanovic et al [1, 2] succeeded in the re-hydrogenation of NaAlH4 below 70 atm. They achieved 4 wt.% H2 reversible capacity by doping NaAlH4 with Ti and/or Fe organo-metalic compounds as catalysts. This suggests that other alkali and, possibly alkaline earth metal aluminohydrides can be used for reversible hydrogen storage when modified by proper dopants. In this research, Zr27Ti9Ni38V5Mn16Cr5, LaNi4.85Sn0.15, Al3Ti, and PdCl2 were combined with LiAlH4 by ball-milling to study whether or not LiAlH4 is capable to both absorb and desorb hydrogen near ambient conditions. X-ray powder diffraction, differential thermal analysis, and scanning electron microscopy were employed for sample characterizations. All four compounds worked as catalysts in the dehydrogenation reactions of both LiAlH4 and Li3AlH6 by inducing the decomposition at lower temperature. However, none of them was applicable as catalyst in the reverse hydrogenation reaction at low to moderate hydrogen pressure.

  11. Hydrogen Storage Properties of Lithium Aluminohydride Modified by Dopants and Mechanochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hosokawa, Ketia [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    Alkali metal aluminohydrides have high potential as solid hydrogen storage materials. They have been known for their irreversible dehydrogenation process below 100 atm until Bogdanovic et al succeeded in the re-hydrogenation of NaAlH4 below 70 atm. They achieved 4 wt.% H2 reversible capacity by doping NaAlH4 with Ti and/or Fe organo-metallic compounds as catalysts. This suggests that other alkali and, possibly alkaline earth metal aluminohydrides can be used for reversible hydrogen storage when modified by proper dopants. In this research, Zr27Ti9Ni38V5Mn16Cr5, LaNi 4.85Sn0.15, Al3Ti, and PdCl2 were combined with LiAlH4 by ball-milling to study whether or not LiAlH4 is capable to both absorb and desorb hydrogen near ambient conditions. X-ray powder diffraction, differential thermal analysis, and scanning electron microscopy were employed for sample characterizations. All four compounds worked as catalysts in the dehydrogenation reactions of both LiAlH4 and Li3AlH6 by inducing the decomposition at lower temperature. However, none of them was applicable as catalyst in the reverse hydrogenation reaction at low to moderate hydrogen pressure.

  12. Dopant concentration dependent magnetism of Cu-doped TiO{sub 2} nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Anitha, B.; Khadar, M. Abdul, E-mail: mabdulkhadar@rediffmail.com [University of Kerala, Centre for Nanoscience and Nanotechnology (India)

    2016-06-15

    Undoped and Cu-doped nanocrystals of TiO{sub 2} having the size range of 8–11 nm were synthesized by peroxide gel method. XRD analysis using Rietveld refinement confirmed anatase phase with a small percentage of rutile content for undoped TiO{sub 2} nanocrystals while a pure anatase phase with preferential growth along [004] direction was observed for nanocrystals of Cu-doped TiO{sub 2}. Variation in the intensity ratios of the XRD peaks of the doped samples compared to that of the undoped sample offered an evidence for the substitutional incorporation of Cu ions in the TiO{sub 2} lattice. The preferential growth of the nanocrystals along the [004] direction was verified using HRTEM analysis. Cu doping extended the optical absorption edge of TiO{sub 2} nanocrystals to the visible spectral region and caused a blue shift and broadening of the E{sub g} (1) Raman active mode of anatase TiO{sub 2}. Undoped TiO{sub 2} sample showed a weak ferromagnetism superimposed on a diamagnetic background while Cu-doped TiO{sub 2} samples exhibited a weak ferromagnetism in the low-field region with a paramagnetic component in the high-field region. The magnetic moment exhibited by the doped samples is interpreted as the resultant of a weak ferromagnetic moment in the low-field region arising from the presence of defects near the surface of TiO{sub 2} nanoparticles or from the interaction of the substituted Cu ions with the oxygen vacancies, and the paramagnetic contribution from the increased Cu dopant concentration near the surface of the particles arising from self-purification mechanism.

  13. Carrier transport assisted by dopants in doped poly(N-vinylcarbozole) light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Chen Xiaohong [Institute of Optoelectronic Technology, Bejing Jiaotong University, Beijing 100044 (China); Liu Ming [Institute of Optoelectronic Technology, Bejing Jiaotong University, Beijing 100044 (China); Xu Zheng [Institute of Optoelectronic Technology, Bejing Jiaotong University, Beijing 100044 (China); Hou Yanbing [Institute of Optoelectronic Technology, Bejing Jiaotong University, Beijing 100044 (China); Teng Feng [Institute of Optoelectronic Technology, Bejing Jiaotong University, Beijing 100044 (China); Xu Xurong [Institute of Optoelectronic Technology, Bejing Jiaotong University, Beijing 100044 (China)

    2004-04-07

    We have investigated the transient electroluminescence (EL) onset of the double-layer light-emitting devices made from poly(N-vinylcarbozole) (PVK) doped with 4-(dicyanomethylene)-2-t-butyl-6(1, 1, 7, 7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) and tris(8-hydroxy-quinoline) aluminium (Alq{sub 3}). For the double-layered device in which PVK was doped with 0.1 wt% DCJTB, the EL onset of PVK lags that of DCJTB and Alq{sub 3}, while the EL onset of DCJTB and Alq{sub 3} is simultaneous. However, the EL emission of the double-layered device of PVK/Alq{sub 3} originates only from Alq{sub 3}. The results show that DCJTB dopants can not only help to tunnel electrons from Alq{sub 3} zone to PVK but can also assist electrons transfer in PVK under high electric field by hopping between DCJTB molecules or from DCJTB to PVK sites at a low doping concentration of 0.1 wt%. When the DCJTB doping concentration is 4.0 wt%, the EL onset of Alq{sub 3} lags that of DCJTB. The difference in the EL onsets of DCJTB, Alq{sub 3} and PVK is attributed to the slow build-up of the internal space charge in the vicinity of the interface between PVK and Alq{sub 3}. The electron potential difference of the interface between Alq{sub 3} and PVK doped by DCJTB can be adjusted by changing the DCJTB doping concentration in double-layer devices.

  14. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation.

    Science.gov (United States)

    Ma, Jin-Gang; Zhang, Cai-Rong; Gong, Ji-Jun; Wu, You-Zhi; Kou, Sheng-Zhong; Yang, Hua; Chen, Yu-Hong; Liu, Zi-Jiang; Chen, Hong-Shan

    2015-08-24

    Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs) to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

  15. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

    Directory of Open Access Journals (Sweden)

    Jin-Gang Ma

    2015-08-01

    Full Text Available Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

  16. An experimental study of solid source diffusion by spin on dopants and its application for minimal silicon-on-insulator CMOS fabrication

    Science.gov (United States)

    Liu, Yongxun; Koga, Kazuhiro; Khumpuang, Sommawan; Nagao, Masayoshi; Matsukawa, Takashi; Hara, Shiro

    2017-06-01

    Solid source diffusions of phosphorus (P) and boron (B) into the half-inch (12.5 mm) minimal silicon (Si) wafers by spin on dopants (SOD) have been systematically investigated and the physical-vapor-deposited (PVD) titanium nitride (TiN) metal gate minimal silicon-on-insulator (SOI) complementary metal-oxide-semiconductor (CMOS) field-effect transistors (FETs) have successfully been fabricated using the developed SOD thermal diffusion technique. It was experimentally confirmed that a low temperature oxidation (LTO) process which depresses a boron silicide layer formation is effective way to remove boron-glass in a diluted hydrofluoric acid (DHF) solution. It was also found that top Si layer thickness of SOI wafers is reduced in the SOD thermal diffusion process because of its consumption by thermal oxidation owing to the oxygen atoms included in SOD films, which should be carefully considered in the ultrathin SOI device fabrication. Moreover, normal operations of the fabricated minimal PVD-TiN metal gate SOI-CMOS inverters, static random access memory (SRAM) cells and ring oscillators have been demonstrated. These circuit level results indicate that no remarkable particles and interface traps were introduced onto the minimal wafers during the device fabrication, and the developed solid source diffusion by SOD is useful for the fabrication of functional logic gate minimal SOI-CMOS integrated circuits.

  17. The effect of core and lanthanide ion dopants in sodium fluoride-based nanocrystals on phagocytic activity of human blood leukocytes

    International Nuclear Information System (INIS)

    Sojka, Bartlomiej; Liskova, Aurelia; Kuricova, Miroslava; Banski, Mateusz; Misiewicz, Jan; Dusinska, Maria; Horvathova, Mira; Ilavska, Silvia; Szabova, Michaela; Rollerova, Eva; Podhorodecki, Artur; Tulinska, Jana

    2017-01-01

    Sodium fluoride-based β-NaLnF4 nanoparticles (NPs) doped with lanthanide ions are promising materials for application as luminescent markers in bio-imaging. In this work, the effect of NPs doped with yttrium (Y), gadolinium (Gd), europium (Eu), thulium (Tm), ytterbium (Yb) and terbium (Tb) ions on phagocytic activity of monocytes and granulocytes and the respiratory burst was examined. The surface functionalization of <10-nm NPs was performed according to our variation of patent pending ligand exchange method that resulted in meso-2,3-dimercaptosuccinic acid (DMSA) molecules on their surface. Y-core-based NCs were doped with Eu ions, which enabled them to be excited with UV light wavelengths. Cultures of human peripheral blood (n = 8) were in vitro treated with five different concentrations of eight NPs for 24 h. In summary, neither type of nanoparticles is found toxic with respect to conducted test; however, some cause toxic effects (they have statistically significant deviations compared to reference) in some selected doses tested. Both core types of NPs (Y-core and Gd-core) impaired the phagocytic activity of monocytes the strongest, having minimal or none whatsoever influence on granulocytes and respiratory burst of phagocytic cells. The lowest toxicity was observed in Gd-core, Yb, Tm dopants and near-infrared nanoparticles. Clear dose-dependent effect of NPs on phagocytic activity of leukocytes and respiratory burst of cells was observed for limited number of samples.

  18. The effect of core and lanthanide ion dopants in sodium fluoride-based nanocrystals on phagocytic activity of human blood leukocytes

    Science.gov (United States)

    Sojka, Bartlomiej; Liskova, Aurelia; Kuricova, Miroslava; Banski, Mateusz; Misiewicz, Jan; Dusinska, Maria; Horvathova, Mira; Ilavska, Silvia; Szabova, Michaela; Rollerova, Eva; Podhorodecki, Artur; Tulinska, Jana

    2017-02-01

    Sodium fluoride-based β-NaLnF4 nanoparticles (NPs) doped with lanthanide ions are promising materials for application as luminescent markers in bio-imaging. In this work, the effect of NPs doped with yttrium (Y), gadolinium (Gd), europium (Eu), thulium (Tm), ytterbium (Yb) and terbium (Tb) ions on phagocytic activity of monocytes and granulocytes and the respiratory burst was examined. The surface functionalization of toxic with respect to conducted test; however, some cause toxic effects (they have statistically significant deviations compared to reference) in some selected doses tested. Both core types of NPs (Y-core and Gd-core) impaired the phagocytic activity of monocytes the strongest, having minimal or none whatsoever influence on granulocytes and respiratory burst of phagocytic cells. The lowest toxicity was observed in Gd-core, Yb, Tm dopants and near-infrared nanoparticles. Clear dose-dependent effect of NPs on phagocytic activity of leukocytes and respiratory burst of cells was observed for limited number of samples.

  19. The effect of core and lanthanide ion dopants in sodium fluoride-based nanocrystals on phagocytic activity of human blood leukocytes

    Energy Technology Data Exchange (ETDEWEB)

    Sojka, Bartlomiej [Wroclaw University of Science and Technology, Department of Experimental Physics (Poland); Liskova, Aurelia; Kuricova, Miroslava [Slovak Medical University, Medical Faculty, Department of Immunology and Immunotoxicology (Slovakia); Banski, Mateusz; Misiewicz, Jan [Wroclaw University of Science and Technology, Department of Experimental Physics (Poland); Dusinska, Maria [Norwegian Institute for Air Research, Health Effects Laboratory, Department of Environmental Chemistry (Norway); Horvathova, Mira; Ilavska, Silvia; Szabova, Michaela [Slovak Medical University, Medical Faculty, Department of Immunology and Immunotoxicology (Slovakia); Rollerova, Eva [Slovak Medical University, Faculty of Public Health, Department of Toxicology (Slovakia); Podhorodecki, Artur, E-mail: artur.p.podhorodecki@pwr.edu.pl [Wroclaw University of Science and Technology, Department of Experimental Physics (Poland); Tulinska, Jana, E-mail: jana.tulinska@szu.sk [Slovak Medical University, Medical Faculty, Department of Immunology and Immunotoxicology (Slovakia)

    2017-02-15

    Sodium fluoride-based β-NaLnF4 nanoparticles (NPs) doped with lanthanide ions are promising materials for application as luminescent markers in bio-imaging. In this work, the effect of NPs doped with yttrium (Y), gadolinium (Gd), europium (Eu), thulium (Tm), ytterbium (Yb) and terbium (Tb) ions on phagocytic activity of monocytes and granulocytes and the respiratory burst was examined. The surface functionalization of <10-nm NPs was performed according to our variation of patent pending ligand exchange method that resulted in meso-2,3-dimercaptosuccinic acid (DMSA) molecules on their surface. Y-core-based NCs were doped with Eu ions, which enabled them to be excited with UV light wavelengths. Cultures of human peripheral blood (n = 8) were in vitro treated with five different concentrations of eight NPs for 24 h. In summary, neither type of nanoparticles is found toxic with respect to conducted test; however, some cause toxic effects (they have statistically significant deviations compared to reference) in some selected doses tested. Both core types of NPs (Y-core and Gd-core) impaired the phagocytic activity of monocytes the strongest, having minimal or none whatsoever influence on granulocytes and respiratory burst of phagocytic cells. The lowest toxicity was observed in Gd-core, Yb, Tm dopants and near-infrared nanoparticles. Clear dose-dependent effect of NPs on phagocytic activity of leukocytes and respiratory burst of cells was observed for limited number of samples.

  20. Effects of Y dopant on lattice distortion and electrical properties of In{sub 3}SbTe{sub 2} phase-change material

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Minho; Kwon, Sehyun; Ahn, Jinho [Division of Materials Science and Engineering, Hanyang University, Seoul (Korea, Republic of); Choi, Heechae [Center of Materials Simulation Research, Virtual Lab Inc., Seoul (Korea, Republic of); Center for Computational Science, Korea Institute of Science and Technology, Seoul (Korea, Republic of); Kim, Seungchul; Lee, Kwang-Ryeol [Center for Computational Science, Korea Institute of Science and Technology, Seoul (Korea, Republic of); Kim, Yong Tae [Semiconductor Materials and Device Laboratory, Korea Institute of Science and Technology, Seoul (Korea, Republic of)

    2017-11-15

    Using a computational high-throughput screening method, 29 doping elements have been investigated for improving the thermal and electrical characteristics of In{sub 3}SbTe{sub 2} (IST) phase-change material. Among the 29 dopants, it is found that Y offers largest distortion in the lattice structure of IST with negative doping formation energy while Y substitutes the In site. The atomic lattice images clearly show that the In site is substituted by Y and the distortion angles of the Y-doped IST (Y-IST) are well matched with the calculated results of density functional theory (DFT). Set/reset speed of the Y-IST phase-change memory is faster than IST and Ge{sub 2}Sb{sub 2}Te{sub 5} (GST) devices, which is strongly related with the fast and stable phase transition due to the larger lattice distortion. The power consumption of the Y-IST device is also less than a fourth of that of the GST device. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Theoretical study of the local structures and the EPR parameters for RLNKB glasses with VO2+ and Cu2+ dopants

    Science.gov (United States)

    Ding, Chang-Chun; Wu, Shao-Yi; Wu, Li-Na; Zhang, Li-Juan; Peng, Li; Wu, Ming-He; Teng, Bao-Hua

    2018-02-01

    The electron paramagnetic resonance (EPR) parameters and local structures for impurities VO2+ and Cu2+ in RO-Li2O-Na2O-K2O-B2O3 (RLNKB; R = Zn, Mg, Sr and Ba) glasses are theoretically investigated by using the perturbation formulas of the EPR parameters for tetragonally compressed octahedral 3d1 and tetragonally elongated octahedral 3d9 clusters, respectively. The VO2+ and Cu2+ dopants are found to undergo the tetragonal compression (characterized by the negative relative distortion ratios ρ ≈ -3%, -0.98%, -1% and -0.8% for R = Zn, Mg, Sr and Ba) and elongation (characterized by the positive relative distortion ratios ρ ≈ 29%, 17%, 16% and 28%), respectively, due to the Jahn-Teller effect. Both dopants show similar overall decreasing trends of cubic field parameter Dq and covalency factor N with decreasing electronegativity of alkali earth cation R. The conventional optical basicities Λth and local optical basicities Λloc are calculated for both systems, and the local Λloc are higher for Cu2+ than for VO2+ in the same RLNKB glass, despite the opposite relationship for the conventional Λth. This point is supported by the weaker covalency or stronger ionicity for Cu2+ than VO2+ in the same RLNKB system, characterized by the larger N in the former. The above comparative analysis on the spectral and local structural properties would be helpful to understand structures and spectroscopic properties for the similar oxide glasses with transition-metal dopants of complementary electronic configurations.

  2. Interplay of dopants and defects in making Cu doped TiO{sub 2} nanoparticle a ferromagnetic semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Choudhury, Biswajit, E-mail: biswa.tezu@gmail.com [Department of Physics, Tezpur University, Napaam 784028, Assam (India); Choudhury, Amarjyoti [Department of Physics, Tezpur University, Napaam 784028, Assam (India); Borah, Debajit [Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati 781039, Assam (India)

    2015-10-15

    Here we have studied the role of oxygen defects and Cu dopants on ferromagnetism in Cu doped TiO{sub 2} nanoparticles with nominal Cu concentration of 2%, 4% and 6 mol%. Electron paramagnetic resonance (EPR) spectra analysis reveals the presence of Cu{sup 2+} in the distorted octahedral coordination of TiO{sub 2}. Cu d-states undergo strong p-d coupling with the valence band O 2p state of TiO{sub 2} resulting the extended absorption hump in the visible region. Photoluminescence results reveal the presence of oxygen defect related emission peaks in Cu doped TiO{sub 2}. Room temperature ferromagnetism is observed in all the Cu doped TiO{sub 2} nanoparticles. Saturation magnetization is the highest at 4 mol% and then there is a decrease in magnetization at 6 mol%. Ferromagnetism completely disappears on calcinations of 4% Cu doped TiO{sub 2} in air at 450 °C for 8 h. It is speculated that both oxygen vacancies and Cu d-states are involved in the room temperature ferromagnetism. Spin polarization occurs by the formation of bound magnetic polaron between electrons in Cu{sup 2+}d-states and the unpaired spins in oxygen vacancies. Presence of Cu{sup 2+}-Cu{sup 2+}d-d exchange interaction and Cu{sup 2+}-O{sup 2−}-Cu{sup 2+} antiferromagnetic superexchange interactions might have resulted in the reduction in magnetization at 6 mol% Cu. - Graphical abstract: Ferromagnetism in Cu doped TiO{sub 2} requires presence of both Cu dopant and oxygen vacancies. - Highlights: • Cu doped TiO{sub 2} nanoparticle displays room temperature ferromagnetism. • Ferromagnetism requires presence of both Cu and oxygen vacancies. • Antiferromagnetic interaction persists at high Cu dopant concentration. • Paramagnetism appears on air annealing of the doped system for longer period.

  3. Organometallic tris(8-hydroxyquinoline)aluminum complexes as buffer layers and dopants in inverted organic solar cells

    International Nuclear Information System (INIS)

    Tolkki, Antti; Kaunisto, Kimmo; Heiskanen, Juha P.; Omar, Walaa A.E.; Huttunen, Kirsi; Lehtimäki, Suvi; Hormi, Osmo E.O.; Lemmetyinen, Helge

    2012-01-01

    Tris(8-hydroxyquinoline)aluminum (Alq 3 ) is a frequently used material for organic light emitting diodes. The electronic properties and solubility can be tuned by chemical tailoring of the quinoline part, which makes it an interesting candidate for organic solar cells. Steady-state absorption and fluorescence, as well as time-resolved fluorescence properties of the parent Alq 3 and a series of complexes consisting of derivatives, such as 4-substituted pyrazol, methylpyrazol, arylvinyl, and pyridinoanthrene moieties, of the quinoline ligand, were studied in solutions and in thin films. Suitability of the complexes as anodic buffer layers or dopants in inverted organic solar cells based on the well known bulk heterojunction of poly(3-hexylthiophene) (P3HT) and phenyl-C 61 -butyric acid methyl ester (PCBM) was tested. The devices equipped with the derivatives showed higher power conversion efficiency (η) compared to the photocells containing the parent Alq 3 . Open circuit voltage (V oc ) was increased when the derivatives were utilized as the anodic buffer layer. Doping of the P3HT:PCBM with a small amount of Alq 3 or its derivative improved short circuit current density, V oc , fill factor, and η, while the series resistance decreased. In addition, the devices were stable in air over several weeks without encapsulation. Possible mechanisms leading to the improvements in the photovoltaic performance by using the parent Alq 3 or its derivative as buffer layer or dopant are discussed. - Highlights: ► Tris(8-hydroxyquinoline)aluminum (Alq 3 ) complexes in inverted organic solar cells. ► The Alq 3 complexes were used as an anodic buffer layer and as a dopant. ► Efficiency increased and the derivatives revealed varying open circuit voltage. ► Photovoltaic performance was stable after storage in a dark ambient atmosphere.

  4. Organometallic tris(8-hydroxyquinoline)aluminum complexes as buffer layers and dopants in inverted organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Tolkki, Antti, E-mail: antti.tolkki@tut.fi [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Kaunisto, Kimmo [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Heiskanen, Juha P. [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Omar, Walaa A.E. [Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Chemistry Branch, Department of Science and Mathematics, Suez Canal University, Suez 43721 (Egypt); Huttunen, Kirsi; Lehtimaeki, Suvi [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Hormi, Osmo E.O. [Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Lemmetyinen, Helge [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland)

    2012-04-30

    Tris(8-hydroxyquinoline)aluminum (Alq{sub 3}) is a frequently used material for organic light emitting diodes. The electronic properties and solubility can be tuned by chemical tailoring of the quinoline part, which makes it an interesting candidate for organic solar cells. Steady-state absorption and fluorescence, as well as time-resolved fluorescence properties of the parent Alq{sub 3} and a series of complexes consisting of derivatives, such as 4-substituted pyrazol, methylpyrazol, arylvinyl, and pyridinoanthrene moieties, of the quinoline ligand, were studied in solutions and in thin films. Suitability of the complexes as anodic buffer layers or dopants in inverted organic solar cells based on the well known bulk heterojunction of poly(3-hexylthiophene) (P3HT) and phenyl-C{sub 61}-butyric acid methyl ester (PCBM) was tested. The devices equipped with the derivatives showed higher power conversion efficiency ({eta}) compared to the photocells containing the parent Alq{sub 3}. Open circuit voltage (V{sub oc}) was increased when the derivatives were utilized as the anodic buffer layer. Doping of the P3HT:PCBM with a small amount of Alq{sub 3} or its derivative improved short circuit current density, V{sub oc}, fill factor, and {eta}, while the series resistance decreased. In addition, the devices were stable in air over several weeks without encapsulation. Possible mechanisms leading to the improvements in the photovoltaic performance by using the parent Alq{sub 3} or its derivative as buffer layer or dopant are discussed. - Highlights: Black-Right-Pointing-Pointer Tris(8-hydroxyquinoline)aluminum (Alq{sub 3}) complexes in inverted organic solar cells. Black-Right-Pointing-Pointer The Alq{sub 3} complexes were used as an anodic buffer layer and as a dopant. Black-Right-Pointing-Pointer Efficiency increased and the derivatives revealed varying open circuit voltage. Black-Right-Pointing-Pointer Photovoltaic performance was stable after storage in a dark ambient

  5. Effect of additionally introduced Zn and Eu dopants on the photoluminescence spectra of Er-Doped GaN crystals

    International Nuclear Information System (INIS)

    Mezdrogina, M. M.; Krivolapchuk, V. V.; Petrov, V. N.; Rodin, S. N.; Cherenkov, A. V.

    2006-01-01

    It is shown that the effect of dopants on the photoluminescence spectrum depends on the conductivity type of the initial GaN crystals. Sensitization of emission is observed in wurtzite p-GaN crystals doped with Er. The same effect was previously observed in such crystals doped with Eu and Zn. In n-type GaN crystals sequentially doped with Eu, Zn, and Er, emission is observed in the visible (λ = 360-440 and 530-560 nm) and IR (λ = 1.54 μm) spectral regions

  6. Effect of additionally introduced Zn and Eu dopants on the photoluminescence spectra of Er-doped GaN crystals

    International Nuclear Information System (INIS)

    Mezdrogina, M.M.; Krivolapchuk, V.V.; Petrov, V.N.; Rodin, S.N.; Cherenkov, A.V.

    2006-01-01

    It is shown that the effect of dopants on the photoluminescence spectrum depends on the conductivity type of the initial GaN crystals. The sensitizing effect of emission is observed in wurtzite p-GaN crystals doped with Er. The same effect was previously observed in such crystals doped with Eu and Zn. In n-type GaN crystals sequentially doped with Eu, Zn, and Er, the emission is observed in visible and infrared ranges of the photoluminescence spectrum [ru

  7. New Pyrazole-Hydrazone Derivatives: X-ray Analysis, Molecular Structure Investigation via Density Functional Theory (DFT) and Their High In-Situ Catecholase Activity.

    Science.gov (United States)

    Karrouchi, Khalid; Yousfi, El Bekkaye; Sebbar, Nada Kheira; Ramli, Youssef; Taoufik, Jamal; Ouzidan, Younes; Ansar, M'hammed; Mabkhot, Yahia N; Ghabbour, Hazem A; Radi, Smaail

    2017-10-25

    The development of low-cost catalytic systems that mimic the activity of tyrosinase enzymes (Catechol oxidase) is of great promise for future biochemistry technologic demands. Herein, we report the synthesis of new biomolecules systems based on hydrazone derivatives containing a pyrazole moiety ( L1 - L6 ) with superior catecholase activity. Crystal structures of L1 and L2 biomolecules were determined by X-ray single crystal diffraction (XRD). Optimized geometrical parameters were calculated by density functional theory (DFT) at B3LYP/6-31G (d, p) level and were found to be in good agreement with single crystal XRD data. Copper (II) complexes of the compounds ( L1 - L6 ), generated in-situ, were investigated for their catalytic activities towards the oxidation reaction of catechol to ortho -quinone with the atmospheric dioxygen, in an attempt to model the activity of the copper containing enzyme tyrosinase. The studies showed that the activities depend on four parameters: the nature of the ligand, the nature of counter anion, the nature of solvent and the concentration of ligand. The Cu(II)-ligands, given here, present the highest catalytic activity (72.920 μmol·L -1 ·min -1 ) among the catalysts recently reported in the existing literature.

  8. Use of Cu+1 dopant and it's doping effects on polyaniline conducting system in water and tetrahydrofuran

    Science.gov (United States)

    Ali, Vazid; Kaur, Raminder; Kamal, Neel; Singh, Sukhmehar; Jain, S. C.; Kang, H. P. S.; Zulfequar, M.; Husain, M.

    2006-04-01

    The structural modification and properties of polymeric materials are of utmost importance in deciding their applications. In the present study, the synthesis of polyaniline (PANI) has been carried out via chemical oxidation in acidic medium by potassium-dichromate and the yield of synthesized polyaniline was found to be 75 80%. The copper per chlorate tetrabenzonitrile salt (CuClO4·4BN) used for chemical doping in synthesized polyaniline is stable in organic solvent like acetonitrile (AN) and benzonitrile (BN). The effect of Cu+1 oxidation state (dopant) in polyaniline has been characterized by FTIR. Electrical and dielectric measurements show the decrease in the intensity of the Cu+1 salt signal and the appearance of a radical signal due to the formation of oxidative coupled in polymeric species. Electrical and dielectric properties of doped polyaniline samples show significant changes due to the effect of dopant (CuClO4·4BN). It is observed that the conductivity is contributing both by formation of ionic complex and particularly dominated by electronic due to the mobility of charge carriers along the polyaniline chain.

  9. Growth temperature and dopant species effects on deep levels in Si grown by low temperature molecular beam epitaxy

    International Nuclear Information System (INIS)

    Chung, Sung-Yong; Jin, Niu; Rice, Anthony T.; Berger, Paul R.; Yu, Ronghua; Fang, Z-Q.; Thompson, Phillip E.

    2003-01-01

    Deep-level transient spectroscopy measurements were performed in order to investigate the effects of substrate growth temperature and dopant species on deep levels in Si layers during low-temperature molecular beam epitaxial growth. The structures studied were n + -p junctions using B doping for the p layer and p + -n junctions using P doping for the n layer. While the density of hole traps H1 (0.38-0.41 eV) in the B-doped p layers showed a clear increase with decreasing growth temperature from 600 to 370 degree sign C, the electron trap density was relatively constant. Interestingly, the minority carrier electron traps E1 (0.42-0.45 eV) and E2 (0.257 eV), found in the B-doped p layers, are similar to the majority carrier electron traps E11 (0.48 eV) and E22 (0.269 eV) observed in P-doped n layers grown at 600 degree sign C. It is hypothesized that these dominating electron traps are associated with pure divacancy defects and are independent of the dopant species

  10. Importance of doping, dopant distribution, and defects on electronic band structure alteration of metal oxide nanoparticles: Implications for reactive oxygen species

    International Nuclear Information System (INIS)

    Saleh, Navid B.; Milliron, Delia J.; Aich, Nirupam; Katz, Lynn E.; Liljestrand, Howard M.; Kirisits, Mary Jo

    2016-01-01

    Metal oxide nanoparticles (MONPs) are considered to have the potency to generate reactive oxygen species (ROS), one of the key mechanisms underlying nanotoxicity. However, the nanotoxicology literature demonstrates a lack of consensus on the dominant toxicity mechanism(s) for a particular MONP. Moreover, recent literature has studied the correlation between band structure of pristine MONPs to their ability to introduce ROS and thus has downplayed the ROS-mediated toxicological relevance of a number of such materials. On the other hand, material science can control the band structure of these materials to engineer their electronic and optical properties and thereby is constantly modulating the pristine electronic structure. Since band structure is the fundamental material property that controls ROS-producing ability, band tuning via introduction of dopants and defects needs careful consideration in toxicity assessments. This commentary critically evaluates the existing material science and nanotoxicity literature and identifies the gap in our understanding of the role of important crystal structure features (i.e., dopants and defects) on MONPs' electronic structure alteration as well as their ROS-generation capability. Furthermore, this commentary provides suggestions on characterization techniques to evaluate dopants and defects on the crystal structure and identifies research needs for advanced theoretical predictions of their electronic band structures and ROS-generation abilities. Correlation of electronic band structure and ROS will not only aid in better mechanistic assessment of nanotoxicity but will be impactful in designing and developing ROS-based applications ranging from water disinfection to next-generation antibiotics and even cancer therapeutics. - Highlights: • Metal oxide nanoparticles (MONPs) produce reactive oxygen species (ROS) • Band structure of pristine MONPs is different than those with dopants/defects • Dopants/defects modulate

  11. Influence of nitrogen dopants on N-doped TiO2 electrodes and their applications in dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Guo Wei; Shen Yihua; Boschloo, Gerrit; Hagfeldt, Anders; Ma Tingli

    2011-01-01

    Highlights: → Three different types of nanocrystalline N-doped TiO 2 synthesized by several nitrogen dopants. → N-doped DSCs achieves a high conversion efficiency of 8.32%. → Ammonia acts as good nitrogen dopants. → Enhanced photocurrent of ca. 36% in N-doped DSCs. → Less charge are needed to get a high open-circuit voltage in N-doped films. - Abstract: Three different types of nanocrystalline, N-doped TiO 2 electrodes were synthesized using several nitrogen dopants through wet methods. The obtained nanocrystalline, N-doped TiO 2 electrodes possessed different crystallite sizes, surface areas, and N-doping amounts. Characterizations were performed to reveal the nitrogen-doping processes for the wet methods using ammonia, urea, and triethylamine as the nitrogen dopants. Additionally, a high conversion efficiency of 8.32% was achieved by the dye-sensitized solar cells, based on the N-doped TiO 2 electrodes. For instance, in comparison with the commercial P25 (5.76%) and pure anatase TiO 2 electrodes (7.14%), significant improvements (44% and 17%, respectively) in the efficiencies were obtained. The findings also indicated that the ammonia nitrogen dopant was more efficient than other two nitrogen dopants. The electron transports, electron lifetimes, and charge recombination in the dye-sensitized N-doped TiO 2 solar cells also differed from those in the pure TiO 2 -based dye-sensitized solar cells (DSCs). Specifically, an enhanced photocurrent of ca. 36% in N-doped DSCs resulted from the synergistic effects of the high dye uptake and the efficient electron transport. Moreover, the relationship between charge and voltage revealed that less charge was needed to get a high open-circuit voltage in the N-doping films.

  12. Importance of doping, dopant distribution, and defects on electronic band structure alteration of metal oxide nanoparticles: Implications for reactive oxygen species

    Energy Technology Data Exchange (ETDEWEB)

    Saleh, Navid B., E-mail: navid.saleh@utexas.edu [Department of Civil, Architectural, and Environmental Engineering, University of Texas, Austin, TX 78712 (United States); Milliron, Delia J. [McKetta Department of Chemical Engineering, University of Texas, Austin, TX 78712 (United States); Aich, Nirupam [Department of Civil, Structural and Environmental Engineering, University at Buffalo, The State University of New York, Buffalo, NY, 14260 (United States); Katz, Lynn E.; Liljestrand, Howard M.; Kirisits, Mary Jo [Department of Civil, Architectural, and Environmental Engineering, University of Texas, Austin, TX 78712 (United States)

    2016-10-15

    Metal oxide nanoparticles (MONPs) are considered to have the potency to generate reactive oxygen species (ROS), one of the key mechanisms underlying nanotoxicity. However, the nanotoxicology literature demonstrates a lack of consensus on the dominant toxicity mechanism(s) for a particular MONP. Moreover, recent literature has studied the correlation between band structure of pristine MONPs to their ability to introduce ROS and thus has downplayed the ROS-mediated toxicological relevance of a number of such materials. On the other hand, material science can control the band structure of these materials to engineer their electronic and optical properties and thereby is constantly modulating the pristine electronic structure. Since band structure is the fundamental material property that controls ROS-producing ability, band tuning via introduction of dopants and defects needs careful consideration in toxicity assessments. This commentary critically evaluates the existing material science and nanotoxicity literature and identifies the gap in our understanding of the role of important crystal structure features (i.e., dopants and defects) on MONPs' electronic structure alteration as well as their ROS-generation capability. Furthermore, this commentary provides suggestions on characterization techniques to evaluate dopants and defects on the crystal structure and identifies research needs for advanced theoretical predictions of their electronic band structures and ROS-generation abilities. Correlation of electronic band structure and ROS will not only aid in better mechanistic assessment of nanotoxicity but will be impactful in designing and developing ROS-based applications ranging from water disinfection to next-generation antibiotics and even cancer therapeutics. - Highlights: • Metal oxide nanoparticles (MONPs) produce reactive oxygen species (ROS) • Band structure of pristine MONPs is different than those with dopants/defects • Dopants/defects modulate

  13. Secondary ions mass spectroscopy measurements of dopant impurities in highly stressed InGaN laser diodes

    International Nuclear Information System (INIS)

    Marona, L.; Suski, T.; Perlin, P.; Czernecki, R.; Leszczynski, M.; Bockowski, M.; Jakiela, R.; Najda, S. P.

    2011-01-01

    We performed a systematic secondary ions mass spectroscopy (SIMS) study of dopant impurities in life-time stressed InGaN laser devices in order to investigate the main degradation mechanism that is observed in nitride laser diodes. A continuous wave (cw) current density of 3 kA/cm 2 was applied to InGaN laser diodes over an extended period of time and we observed the characteristic square root degradation of optical power. We compared the SIMS profiles of Mg, H, and Si impurities in the aged devices and observe that the impurities are remarkably stable over 10 000 h of cw operation. Nor is there any SIMS evidence of p-contact metals penetrating into the semiconductor material. Thus our SIMS results are contrary to what one would expect for impurity diffusion causing the observed square root degradation characteristic.

  14. Comparison of GaP and PH{sub 3} as dopant sources for STM-based device fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Goh, Kuan Eng Johnson [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Oberbeck, L [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Butcher, M J [School of Physics, University of New South Wales, Sydney, New South Wales 2052 (Australia); Curson, N J [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Ruess, F J [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia); Simmons, M Y [Australian Research Council Centre of Excellence for Quantum Computer Technology, University of New South Wales, Sydney, New South Wales 2052 (Australia)

    2007-02-14

    We present a comparative study of the use of a GaP solid source as an alternative to gaseous PH{sub 3} for controlled phosphorus {delta}-doping of lithographic patterns on H:Si(001) fabricated by scanning tunnelling microscopy (STM). Whilst our electrical studies show that P {delta}-doping of Si with the GaP solid source and gaseous PH{sub 3} result in essentially the same electrical characteristics, our STM studies reveal that P{sub 2} molecules from the GaP source exhibit a lower selectivity between bare Si(001) and H:Si(001) compared to PH{sub 3} molecules. We discuss the significance of our findings in the context of fabricating nanoscale P dopant devices in Si using STM-based lithography.

  15. Comparison of GaP and PH3 as dopant sources for STM-based device fabrication

    International Nuclear Information System (INIS)

    Goh, Kuan Eng Johnson; Oberbeck, L; Butcher, M J; Curson, N J; Ruess, F J; Simmons, M Y

    2007-01-01

    We present a comparative study of the use of a GaP solid source as an alternative to gaseous PH 3 for controlled phosphorus δ-doping of lithographic patterns on H:Si(001) fabricated by scanning tunnelling microscopy (STM). Whilst our electrical studies show that P δ-doping of Si with the GaP solid source and gaseous PH 3 result in essentially the same electrical characteristics, our STM studies reveal that P 2 molecules from the GaP source exhibit a lower selectivity between bare Si(001) and H:Si(001) compared to PH 3 molecules. We discuss the significance of our findings in the context of fabricating nanoscale P dopant devices in Si using STM-based lithography

  16. Quantum Mechanical Enhancement of the Random Dopant Induced Threshold Voltage Fluctuations and Lowering in Sub 0.1 Micron MOSFETs

    Science.gov (United States)

    Asenov, Asen; Slavcheva, G.; Brown, A. R.; Davies, J. H.; Saini, Subhash

    1999-01-01

    A detailed study of the influence of quantum effects in the inversion layer on the random dopant induced threshold voltage fluctuations and lowering in sub 0.1 micron MOSFETs has been performed. This has been achieved using a full 3D implementation of the density gradient (DG) formalism incorporated in our previously published 3D 'atomistic' simulation approach. This results in a consistent, fully 3D, quantum mechanical picture which implies not only the vertical inversion layer quantisation but also the lateral confinement effects manifested by current filamentation in the 'valleys' of the random potential fluctuations. We have shown that the net result of including quantum mechanical effects, while considering statistical fluctuations, is an increase in both threshold voltage fluctuations and lowering.

  17. Oxygen-induced high diffusion rate of magnesium dopants in GaN/AlGaN based UV LED heterostructures.

    Science.gov (United States)

    Michałowski, Paweł Piotr; Złotnik, Sebastian; Sitek, Jakub; Rosiński, Krzysztof; Rudziński, Mariusz

    2018-05-23

    Further development of GaN/AlGaN based optoelectronic devices requires optimization of the p-type material growth process. In particular, uncontrolled diffusion of Mg dopants may decrease the performance of a device. Thus it is meaningful to study the behavior of Mg and the origins of its diffusion in detail. In this work we have employed secondary ion mass spectrometry to study the diffusion of magnesium in GaN/AlGaN structures. We show that magnesium has a strong tendency to form Mg-H complexes which immobilize Mg atoms and restrain their diffusion. However, these complexes are not present in samples post-growth annealed in an oxygen atmosphere or Al-rich AlGaN structures which naturally have a high oxygen concentration. In these samples, more Mg atoms are free to diffuse and thus the average diffusion length is considerably larger than for a sample annealed in an inert atmosphere.

  18. PIXE channeling for concentration and location measurements of Zn- and Cd-dopants in InP single crystals

    International Nuclear Information System (INIS)

    Vogt, J.; Krause, H.; Flagmeyer, R.; Otto, G.; Lux, M.

    1993-01-01

    We present results of the determination of Cd- and Zn-dopants in InP single crystals using the PIXE and RBS spectrometry at our 2 MeV Van de Graaff accelerator. The (100) oriented crystals were doped by thermodiffusion of Cd and Zn atoms. For concentration and localization measurements we used the ion-channeling technique and energy dispersive spectrometry of proton induced X-ray emission (PIXE). Angular scans of the K-lines of In, Cd and Zn were obtained. The strong In X-rays were attenuated by a rhodium foil in front of the low energy Ge detector. The PIXE-channeling results were compared with SIMS and Hall-effect measurements. (orig.)

  19. Enhanced photocatalytic activity induced by sp 3 to sp 2 transition of carbon dopants in BiOCl crystals

    KAUST Repository

    Sun, Jianguo

    2017-09-19

    The insufficient light absorption and low quantum efficiency limit the photocatalytic performance of wide bandgap semiconductors. Here, we report a facile strategy to engineer the surface disordered defects of BiOCl nanosheets via carbon doping. The surface defects boost the light absorption and also the quantum yields, as the doped carbon atoms exhibit a transition from sp3 to sp2 hybridization at elevated temperature, corresponding to a change of assembly state from 3D cluster to 2D graphite-like structure. This transition results in an effective charge separation and thus one order of enhancement in photocatalytic activity toward phenol degradation under visible light. The current study opens an avenue to introduce sp3 to sp2 transition of carbon dopants for simultaneous increment of light absorption and quantum efficiency for application in photocatalysis and energy conversion.

  20. Modification of MWCNT@TiO{sub 2} core–shell nanocomposites with transition metal oxide dopants for photoreduction of carbon dioxide into methane

    Energy Technology Data Exchange (ETDEWEB)

    Gui, Meei Mei [Low Carbon Economy (LCE) Group, Chemical Engineering Discipline, School of Engineering, Monash University, Jalan Lagoon Selatan, 46150 Bandar Sunway, Selangor (Malaysia); Chai, Siang-Piao, E-mail: chai.siang.piao@monash.edu [Low Carbon Economy (LCE) Group, Chemical Engineering Discipline, School of Engineering, Monash University, Jalan Lagoon Selatan, 46150 Bandar Sunway, Selangor (Malaysia); Mohamed, Abdul Rahman [Low Carbon Economy (LCE) Group, School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, Seri Ampangan, 14300 Nibong Tebal, Pulau Pinang (Malaysia)

    2014-11-15

    Graphical abstract: - Highlights: • Metal oxide-doped MWCNT@TiO{sub 2} core–shell nanocomposites were prepared. • Red-shift of absorption band positions was observed in CuO- and Fe{sub 2}O{sub 3}-MWCNT@TiO{sub 2}. • Total methane formation of 0.93 μmol/g-catalyst was achieved using CuO-MWCNT@TiO{sub 2}. - Abstract: Titanium dioxide (TiO{sub 2}) doped with visible-light-responsive metal oxides has been widely reported for improving the visible light absorption performance of TiO{sub 2} and its photocatalytic activity. The metal oxides could function as ‘charge-carrier traps’ that transport electrons from TiO{sub 2} through the heterojunction of the TiO{sub 2}-metal oxides. In this work, the common transition metal oxides, i.e. FeO{sub x}, CuO{sub x}, NiO, CoO{sub x} and ZnO, were doped onto MWCNT@TiO{sub 2} core–shell nanocomposites. The effects of the metal oxide dopants on the photoactivity of the core–shell nanocomposites on CO{sub 2} reduction were studied. Characterization with diffuse-reflectance UV–vis showed significant improvement on visible light absorption after doping MWCNT@TiO{sub 2} with CuO{sub x}, FeO{sub x} and CoO{sub x} with the adsorption band-edge position red-shifted into the wavelength range of 480–630 nm. CuO-MWCNT@TiO{sub 2} appeared to be the most active one among all the studied photocatalysts, achieving a total methane formation of 0.93 μmol/g-catalyst.

  1. The effect of Mg dopants on magnetic and structural properties of iron oxide and zinc ferrite thin films

    Science.gov (United States)

    Saritaş, Sevda; Ceviz Sakar, Betul; Kundakci, Mutlu; Yildirim, Muhammet

    2018-06-01

    Iron oxide thin films have been obtained significant interest as a material that put forwards applications in photovoltaics, gas sensors, biosensors, optoelectronic and especially in spintronics. Iron oxide is one of the considerable interest due to its chemical and thermal stability. Metallic ion dopant influenced superexchange interactions and thus changed the structural, electrical and magnetic properties of the thin film. Mg dopped zinc ferrite (Mg:ZnxFe3-xO4) crystal was used to avoid the damage of Fe3O4 (magnetite) crystal instead of Zn2+ in this study. Because the radius of the Mg2+ ion in the A-site (tetrahedral) is almost equal to that of the replaced Fe3+ ion. Inverse-spinel structure in which oxygen ions (O2-) are arranged to form a face-centered cubic (FCC) lattice where there are two kinds of sublattices, namely, A-site and B-site (octahedral) interstitial sites and in which the super exchange interactions occur. In this study, to increase the saturation of magnetization (Ms) value for iron oxide, inverse-spinal ferrite materials have been prepared, in which the iron oxide was doped by multifarious divalent metallic elements including Zn and Mg. Triple and quaternary; iron oxide and zinc ferrite thin films with Mg metal dopants were grown by using Spray Pyrolysis (SP) technique. The structural, electrical and magnetic properties of Mg dopped iron oxide (Fe2O3) and zinc ferrite (ZnxFe3-xO4) thin films have been investigated. Vibrating Sample Magnetometer (VSM) technique was used to study for the magnetic properties. As a result, we can say that Mg dopped iron oxide thin film has huge diamagnetic and of Mg dopped zinc ferrite thin film has paramagnetic property at bigger magnetic field.

  2. Technical report Development of a piezoelectric inkjet dopant delivery device for an atmospheric pressure photoionization source with liquid chromatography/mass spectrometry

    KAUST Repository

    Amad, Maan H.; Li, Erqiang; Sioud, Salim; Thoroddsen, Sigurdur T

    2013-01-01

    mixture consisting of 18 different polycyclic aromatic hydrocarbons (PAHs) The results show that the new system works robustly at low dopant consumption level (16 uL min-1) consuming only approximately 5% of the amount used by conventional sources The low

  3. In silico optimization of phase-change materials for digital memories: a survey of first-row transition-metal dopants for Ge2Sb2Te5

    International Nuclear Information System (INIS)

    Skelton, J M; Elliott, S R

    2013-01-01

    Phase-change materials are the alloys at the heart of an emerging class of next-generation, non-volatile digital memory technologies. However, the widely studied Ge–Sb–Te system possesses several undesirable properties, and enhancing its properties, e.g. by doping, is an area of active research. Various first-row transition-metal dopants have been shown to impart useful property enhancements, but a systematic study of the entire period has yet to be undertaken, and little has been done to investigate their interaction with the host material at the atomic level. We have carried out first-principles computer simulations of the complete phase-change cycle in Ge 2 Sb 2 Te 5 doped with each of the ten first-row transition metals. In this article, we present a comprehensive survey of the electronic, magnetic and optical properties of these doped materials. We discuss in detail their atomic-level structure, and relate the microscopic behaviours of the dopant atoms to their influence on the Ge 2 Sb 2 Te 5 host. By considering an entire family of similar materials, we identify trends and patterns which might be used to predict suitable dopants for optimizing materials for specific phase-change applications. The computational method employed here is general, and this materials-discovery approach could be applied in the future to study other families of potential dopants for such materials. (paper)

  4. Observation of two-dimensional p-type dopant diffusion across a p+-InP/n–-InGaAs interface using scanning electron microscopy

    International Nuclear Information System (INIS)

    Tsurumi, Daisuke; Hamada, Kotaro; Kawasaki, Yuji

    2013-01-01

    Scanning electron microscopy (SEM) with potential calculations has been shown to be effective for the detection of p-type dopant diffusion, even across a Zn doped p + -InP/non-doped n – -InGaAs/n + -InP heterojunction. Heterojunction samples were observed using SEM and the electrostatic potential was calculated from Zn concentration profiles obtained by secondary ion mass spectrometry. The sensitivity of SEM for the potential was derived from the SEM observations and potential calculation results. The results were then used to investigate the dependence of the SEM contrast on the Zn diffusion length across the p + -InP/non-doped n – -InGaAs interface. Accurate dopant mapping was difficult when the Zn diffusion length was shorter than 30 nm, because the heterojunction affects the potential at the interface. However, accurate dopant mapping was possible when the Zn diffusion length was longer than 30 nm, because the factor dominating the potential variation was not the heterojunction, but rather Zn diffusion 30 nm distant from the interface. Thus, Zn diffusion further than 30 nm from a Zn-doped p + -InP/non-doped n – -InGaAs interface can be effectively detected by secondary electron (SE) imaging. SE imaging with potential calculations can be widely used for accurate dopant mapping, even at heterojunctions, and is, therefore, expected to be of significant assistance to the compound semiconductor industry.

  5. In silico optimization of phase-change materials for digital memories: a survey of first-row transition-metal dopants for Ge₂Sb₂Te₅.

    Science.gov (United States)

    Skelton, J M; Elliott, S R

    2013-05-22

    Phase-change materials are the alloys at the heart of an emerging class of next-generation, non-volatile digital memory technologies. However, the widely studied Ge-Sb-Te system possesses several undesirable properties, and enhancing its properties, e.g. by doping, is an area of active research. Various first-row transition-metal dopants have been shown to impart useful property enhancements, but a systematic study of the entire period has yet to be undertaken, and little has been done to investigate their interaction with the host material at the atomic level. We have carried out first-principles computer simulations of the complete phase-change cycle in Ge2Sb2Te5 doped with each of the ten first-row transition metals. In this article, we present a comprehensive survey of the electronic, magnetic and optical properties of these doped materials. We discuss in detail their atomic-level structure, and relate the microscopic behaviours of the dopant atoms to their influence on the Ge2Sb2Te5 host. By considering an entire family of similar materials, we identify trends and patterns which might be used to predict suitable dopants for optimizing materials for specific phase-change applications. The computational method employed here is general, and this materials-discovery approach could be applied in the future to study other families of potential dopants for such materials.

  6. Towards chiral distributions of dopants in microporous frameworks: helicoidal supramolecular arrangement of (1R,2S)-ephedrine and transfer of chirality.

    Science.gov (United States)

    Gómez-Hortigüela, Luis; Álvaro-Muñoz, Teresa; Bernardo-Maestro, Beatriz; Pérez-Pariente, Joaquín

    2015-01-07

    A molecular-mechanics computational study is performed in order to analyze the arrangement of (1R,2S)-(-)-ephedrine molecules within the 12-MR channels of the AFI aluminophosphate microporous framework and the influence on the spatial distribution of dopants embedded in the tetrahedral network. Results showed that ephedrine molecules arrange exclusively as dimers by π-π stacking of the aromatic rings within the AFI channels. Interestingly, the asymmetric nature of ephedrine and the presence of H-bond-forming groups (NH2 and OH) involve a preferential orientation where consecutive dimers within the channels are rotated by an angle of +30°; this is driven by the establishment of inter-dimer H-bonds. This preferential orientation leads to the development of a supramolecular enantiomerically-pure helicoidal (chiral) arrangement of ephedrine dimers. In addition, the computational results demonstrate that the particular molecular structure of ephedrine imparts a strong trend to attract negative charges to the vicinity of the NH2(+) positively-charged groups. Hence divalent dopants such as Mg, whose replacement by trivalent Al in the aluminophosphate network involves the generation of a negative charge, will tend to locate close to the NH2(+) molecular groups, suggesting that an imprinting of the organic arrangement to the spatial distribution of dopants would be feasible. Combined with the trend of ephedrine to arrange in a helicoidal fashion, an enantiomerically-pure helicoidal distribution of dopants would be expected, thus inducing a new type of chirality in microporous materials.

  7. To study the effect of dopant NiO concentration and duration of calcinations on structural and optical properties of MgO-NiO nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Rajesh, E-mail: rkkaushik06@gmail.com [Deptt. of Physics, M.D. University, Rohtak-124001, Haryana (India); Deptt. of Physics,Vaish College of Engineering, Rohtak-124001, Haryana (India); Praveen,; Sharma, Ashwani; Parmar, R.; Dahiya, S. [Deptt. of Physics, M.D. University, Rohtak-124001, Haryana (India); Kishor, N. [Deptt. of Physics, Central University of Haryana (India)

    2016-05-06

    In present work Magnesium oxide (MgO) samples were doped with different concentration of Transition metal Nickel Oxide(NiO) by using Chemical co-precipitation method. The doping levels were varied from NiO (5%, 10%, 15%) and all the samples were calcined at 600°C for 4hrs and 8hrs respectively. Structural analysis of these calcined materials is carried out by X-ray diffraction (XRD) techniques which reveals that average crystalline sizes are in nano region i.e. 21.77nm-31.13 nm and tabulated in table 1. The powder of calcined samples were also characterized by using various other techniques i.e. Scanning Electron Microscopy (SEM), Fourier Transformation Infrared Spectroscopy (FTIR), UV-Visible spectroscopy, Transmission Electron Microscopy (TEM) etc. The effects of dopant concentration, calcined temperature, calcinations duration on samples were studied and also investigate the effect of varying dopant concentration on morphology and optical properties of calcined nanomaterials. From results it was observed that the crystallite size of nanocomposites increases with increases dopant concentration or increases calcinations duration. The optical band gap decreases with increases sintering time and increase with increases dopant concentrations. TEM results coincide with XRD results and show that particles are polycrystalline in nature. FTIR spectra show that for all samples particles are pure in composition and transmission rate increases with calcinations duration.

  8. Crystal structure, chemical bond and enhanced performance of β-Zn{sub 4}Sb{sub 3} compounds with interstitial indium dopant

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Dingguo [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Key Laboratory of Catalysis and Materials Science of the State Ethnic Affair Commission and Ministry of Education, South-Central University for Nationalities, Wuhan 430074 (China); Zhao, Wenyu, E-mail: wyzhao@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Yu, Jian; Wei, Ping; Zhou, Hongyu; Zhu, Wanting [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Zhang, Qingjie, E-mail: zhangqj@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China)

    2014-07-15

    Highlights: • The interstitial In dopant leads to the local structural perturbations in β-Zn{sub 4}Sb{sub 3}. • The simultaneous increases in α and σ are observed in the In-doped Zn{sub 4}Sb{sub 3} compounds. • The In dopant plays different doping behaviors by the dopant contents in the samples. • A maximum ZT of 1.41 at 700 K is achieved for the In-doped Zn{sub 4}Sb{sub 3} compounds. - Abstract: In-doped β-Zn{sub 4}Sb{sub 3} compounds (Zn{sub 4−x}In{sub x}Sb{sub 3}, 0 ⩽ x ⩽ 0.24) were prepared by melt-quenching and spark plasma sintering technology in the work. The resultant samples were systematically investigated by X-ray diffraction, X-ray photoelectron spectroscopy, differential scanning calorimetry and thermoelectric property measurements. The In dopant was identified to preferentially occupy the interstitial site in β-Zn{sub 4}Sb{sub 3} and led to the local structural perturbations near the 12c Sb2 and 36f Zn1 sites. The Auger parameters of Zn and Sb indicated that the increase in the valence of Zn was attributed to the charge transfer from Zn to In atoms. The binding energies of In 3d{sub 5/2} core level showed that the interstitial In dopant was n-type dopant (In{sup 3+}) in slightly In-doped Zn{sub 4−x}In{sub x}Sb{sub 3}, but acted as acceptor and was p-type dopant (In{sup +}) in heavily In-doped ones. The discovery provides a reasonable explanation for the puzzled relation between σ and x for Zn{sub 4−x}In{sub x}Sb{sub 3}. Simultaneously increasing the electrical conductivity and Seebeck coefficient of Zn{sub 4−x}In{sub x}Sb{sub 3} can be realized through the local structural perturbations. The significantly enhanced power factor and the intrinsic low thermal conductivity resulted in a remarkable increase in the dimensionless figure of merit (ZT). The highest ZT reached 1.41 at 700 K for Zn{sub 3.82}In{sub 0.18}Sb{sub 3} and increased by 68% compared with that of the undoped β-Zn{sub 4}Sb{sub 3}.

  9. Synthesis, thermogravimetric study and crystal structure of an N-rich copper(II) compound with tren ligands and nitrate counter-anions

    Energy Technology Data Exchange (ETDEWEB)

    Pérez-Toro, Inmaculada; Domínguez-Martín, Alicia [Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada (Spain); Choquesillo-Lazarte, Duane [Laboratorio de Estudios Cristalográficos, IACT, CSIC-Universidad de Granada, Av. de las Palmeras 4, E-18100 Armilla, Granada (Spain); Vílchez-Rodríguez, Esther [Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada (Spain); Department of Inorganic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Castiñeiras, Alfonso [Department of Inorganic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, 15782 Santiago de Compostela (Spain); Niclós-Gutiérrez, Juan, E-mail: jniclos@ugr.es [Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada (Spain)

    2014-10-10

    The N-rich salt [{Cu(tren)}{sub 3}(μ{sub 3}-tren)]{sub 2}(NO{sub 3}){sub 12}·3H{sub 2}O has been studied by XRD and by coupled TG and FT-IR spectroscopy of the evolved gases. After water loss, thermal decomposition of the nitrate ions and some tren ligands in the salt are overlapped. - Highlights: • A novel N-rich copper(II)-tren complex has been crystallized as a 3-hydrated nitrate salt. • Tren acts both as tripodal tetradentate and as μ{sub 3}-tren bridging ligand. • Copper(II) centers exhibit distorted trigonal bipyramidal coordination. • Coupled thermogravimetry and FT-IR spectra of evolved gases have been used. • Decomposition of nitrate anions and tren ligands occurs in an overlapped step. - Abstract: The compound [{Cu(tren)}{sub 3}(μ3-tren)]{sub 2}(NO{sub 3}){sub 12}·3H{sub 2}O has been synthesized, crystallized and characterized by single crystal X-ray diffraction, thermogravimetry (TG) coupled to FT-IR spectroscopy of the evolved gases, TG–differential scanning calorimetry (DSC) and electronic (diffuse reflectance) and FT-IR spectroscopies. The sample loses the crystallization water between room temperature and 200 °C. The decomposition of the salt begins with an overlapped decomposition of nitrate anions and some tren ligands where CO{sub 2}, H{sub 2}O, CO, NH{sub 3}, N{sub 2}O, NO and NO{sub 2} are evolved (205–235 °C). Then decomposition of additional tren ligands takes place (235–725 °C). Finally a non-pure CuO residue is obtained at 725 °C.

  10. Role of dopant concentration, crystal phase and particle size on microbial inactivation of Cu-doped TiO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, Manoranjan; Wu Bing; Zhu Liying; Jacobson, Craig; Wang Weining; Jones, Kristen; Goyal, Yogesh; Tang, Yinjie J; Biswas, Pratim, E-mail: pbiswas@wustl.edu [Department of Energy, Environmental and Chemical Engineering, Washington University in St Louis, St Louis, MO 63130 (United States)

    2011-10-14

    The properties of Cu-doped TiO{sub 2} nanoparticles (NPs) were independently controlled in a flame aerosol reactor by varying the molar feed ratios of the precursors, and by optimizing temperature and time history in the flame. The effect of the physico-chemical properties (dopant concentration, crystal phase and particle size) of Cu-doped TiO{sub 2} nanoparticles on inactivation of Mycobacterium smegmatis (a model pathogenic bacterium) was investigated under three light conditions (complete dark, fluorescent light and UV light). The survival rate of M. smegmatis (in a minimal salt medium for 2 h) exposed to the NPs varied depending on the light irradiation conditions as well as the dopant concentrations. In dark conditions, pristine TiO{sub 2} showed insignificant microbial inactivation, but inactivation increased with increasing dopant concentration. Under fluorescent light illumination, no significant effect was observed for TiO{sub 2}. However, when TiO{sub 2} was doped with copper, inactivation increased with dopant concentration, reaching more than 90% (>3 wt% dopant). Enhanced microbial inactivation by TiO{sub 2} NPs was observed only under UV light. When TiO{sub 2} NPs were doped with copper, their inactivation potential was promoted and the UV-resistant cells were reduced by over 99%. In addition, the microbial inactivation potential of NPs was also crystal-phase-and size-dependent under all three light conditions. A lower ratio of anatase phase and smaller sizes of Cu-doped TiO{sub 2} NPs resulted in decreased bacterial survival. The increased inactivation potential of doped TiO{sub 2} NPs is possibly due to both enhanced photocatalytic reactions and leached copper ions.

  11. Effect of donor and acceptor dopants on crystallization, microstructural and dielectric behaviors of barium strontium titanate glass ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Avadhesh Kumar, E-mail: yadav.av11@gmail.com [Department of Physics, Dr. Bheem Rao Ambedkar Government Degree College, Anaugi, Kannauj (India); Gautam, C.R. [Department of Physics, University of Lucknow, Lucknow 226007 (India); Singh, Prabhakar [Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2016-07-05

    Bulk transparent barium strontium titanate borosilicate glasses in glass system (65-x)[(Ba{sub 0.6}Sr{sub 0.4}).TiO{sub 3}]-30[2SiO{sub 2}.B{sub 2}O{sub 3}]-5[K{sub 2}O]-x[A{sub 2}O{sub 3}], A = La, Fe (x = 2, 5 and 10) were prepared by rapid melt-quench technique and subsequently, converted into glass ceramics by regulated heat treatment process. The phase identification was carried out by X-ray powder diffraction and their surface morphology was studied by scanning electron microscopy. The dielectric properties were studied by impedance spectroscopic technique. Investigated glass samples were crystallized into major and secondary phases of Ba{sub 1.91}Sr{sub 0.09}TiO{sub 4} and Ba{sub 2}TiSi{sub 2}O{sub 8}, respectively. A very high dielectric constant having value upto 68000 was found in glass ceramic sample BST5K10F. This high value of dielectric constant was attributed to interfacial polarization, which arose due to conductivity difference among semiconducting crystalline phases, conducting grains and insulating grain boundaries. Donor dopant La{sub 2}O{sub 3} and acceptor dopant Fe{sub 2}O{sub 3} play an important role for enhancing crystallization, dielectric constant and retardation of dielectric loss in the samples. Moreover, higher value of dielectric constant and lower value of dielectric loss was found in Fe{sub 2}O{sub 3} doped samples in comparison to La{sub 2}O{sub 3} doped samples. - Highlights: • Bulk transparent barium strontium titanate glasses are successfully prepared. • A very high dielectric constant upto 68000 was found in glass ceramics. • La{sub 2}O{sub 3} and Fe{sub 2}O{sub 3} play role for enhancing value of dielectric constant. • Higher dielectric constant with low dielectric loss was found in Fe{sub 2}O{sub 3} doped sample. • Such glass ceramics may be used in making capacitors for high energy storage.

  12. Pyrolysis synthesis of Zn{sub 2}SiO{sub 4}:Mn{sup 2+} phosphors – effect of fuel, flux and co-dopants

    Energy Technology Data Exchange (ETDEWEB)

    Sivakumar, V.; Lakshmanan, Arunachalam, E-mail: arunachalamlakshmanan@yahoo.com

    2014-01-15

    Green emitting α-Zn{sub 2}SiO{sub 4}:Mn{sup 2+} phosphors were made by pyrolysis route at 600 °C followed by sintering at a moderate temperature of 1000 °C for 1 h duration. The effects of different fuels (urea, citric acid, polyethylene glycol and glycine), flux materials (H{sub 3}BO{sub 3}, NH{sub 4}Cl, NH{sub 4}F, NH{sub 4}Br, BaCl{sub 2}, BaBr{sub 2}, CaF{sub 2} and BaF{sub 2}), divalant co-dopants (Ca{sup 2+}, Ba{sup 2+}, Mg{sup 2+} and Sr{sup 2+}), trivalent co-dopants (Al{sup 3+}, Y{sup 3+} and Gd{sup 3+}) and sintering temperature (800–1000 °C) on the photoluminescence (PL) efficiency of Zn{sub 2}SiO{sub 4}:Mn{sup 2+} were studied. Among the fuels, urea and among the flux, H{sub 3}BO{sub 3} gave a maximum broad band green PL emission peak at 525 nm on excitation at 254 nm. Divalent co-dopants improved the PL intensity much more than the trivalent co-dopants used. Highest PL efficiency was observed with Sr{sup 2+} co-doped Zn{sub 2}SiO{sub 4}:Mn{sup 2+} sintered at 1000 °C in reducing atmosphere which was 20% higher than that of the commercial Zn{sub 2}SiO{sub 4}:Mn{sup 2+}. The formation of a single crystalline phase of willemite structure in the α-Zn{sub 2}SiO{sub 4}:Mn{sup 2+} samples synthesized was confirmed by powder XRD measurements. -- Highlights: • Zn{sub 2}SiO{sub 4}:Mn{sup 2+} green phosphors were made by pyrolysis route. • Effect of fuel, flux and co dopant on PL intensity. • Enhancement in luminescence with divalent co-dopants, notably Sr. • PL efficiency 20% higher than that of the commercial phosphor. • XRD confirm single phase willemite structure of Zn{sub 2}SiO{sub 4}:Mn{sup 2+}.

  13. Realizing stable fully spin polarized transport in SiC nanoribbons with dopant

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Xixi; Wang, Xianlong; Zheng, Xiaohong, E-mail: xhzheng@theory.issp.ac.cn; Zeng, Zhi [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); University of Science and Technology of China, Hefei 230026 (China); Hao, Hua [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2016-06-06

    Intrinsic half-metallicity recently reported in zigzag edged SiC nanoribbons is basically undetectable due to negligible energy difference between the antiferromagnetic (AFM) and ferromagnetic (FM) configurations. In this Letter, by density functional theory calculations, we demonstrate a scheme of N doping at the carbon edge to selectively close the edge state channel at this edge and achieve 100% spin filtering, no matter whether it is in an AFM state or FM state. This turns SiC nanoribbon into a promising material for obtaining stable and completely spin polarized transport and may find application in spintronic devices.

  14. Metal (M) dopant centred local structures, high-pressure synthesis and bulk superconductivity in YBa sub 2 (Cu sub 1 sub - sub x M sub x) sub 3 O sub 7 sub - subdelta: M = Fe, Co, Ni

    CERN Document Server

    Shi, F; Bresser, W J; Boolchand, P; McDaniel, D

    1997-01-01

    Depression of T sub c by the dopants Fe or Co, but not Ni, is spectacularly reversed by synthesis of the titled cuprates at high P instead of ambient P of oxygen with T sub c enhanced from 32 to 82 K for M=Fe at x=0.10. With Fe dopant, Moessbauer spectroscopy reveals a conversion of a tetrahedral (A) into a trigonal bipyramidal coordinated (C) Fe chain site by oxygen addition in the chains upon high-P processing. The A->C site transformation is elucidated and extended to the case of Co dopant, and its consequences for superconducting behaviour discussed. (author). Letter-to-the-editor

  15. Large thermoelectric efficiency of doped polythiophene junction: A density functional study

    Science.gov (United States)

    Golsanamlou, Zahra; Bagheri Tagani, Meysam; Rahimpour Soleimani, Hamid

    2018-06-01

    The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on the thermoelectric efficiency of the PT junction is investigated in different concentrations of the dopants for two lengths of the PT. Results show that the presence of dopants can bring the structural changes in the oligomer and modify the arrangement of the molecular levels leading to the dramatic changes in the transmission spectra of the junction. Therefore, the large enhancement in thermopower and consequently figure of merit is obtained by dopants which makes the doped PT junction as a beneficial thermoelectric device.

  16. Effects of added dopants on various triboluminescent properties of europium dibenzoylmethide triethylammonium (EuD4TEA)

    Science.gov (United States)

    Owens, Constance; Fontenot, Ross S.; Bhat, Kamala N.; Aggarwal, Mohan D.

    2014-03-01

    A triboluminescent (TL) material is one that emits light upon pressure, impact, friction, or mechanical shock. TL materials are desirable for investigation because they have the potential to be used as the active element for smart impact sensors. While the material europium dibenzoylmethide triethylammonium (EuD4TEA) produces a TL emission yield that can be observed by the naked eye, it is still not sufficiently bright for use in smart sensor devices. Previous studies have shown that additional materials can be combined with EuD4TEA in order to improve the TL emission yield. In this paper, we discuss the effects of doping on EuD4TEA at different concentrations with a variety of materials on the TL emission yield and decay times. The dopants that were used in this study were nicotine, dibutyl phosphate (DBP), and magnesium. We also discuss both the effects of pH on EuD4TEA, and the doping effects on impact energy. For testing triboluminescent properties, we use a custom-built drop tower that generates triboluminescence by fracturing compounds through impact. Collected data is analyzed using specially written LabVIEW programs.

  17. Chemically tailoring the dopant emission in manganese-doped CsPbCl{sub 3} perovskite nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Das Adhikari, Samrat; Dutta, Sumit K.; Dutta, Anirban; Guria, Amit K.; Pradhan, Narayan [Department of Materials Science, Indian Association for the Cultivation of Science, Kolkata (India)

    2017-07-17

    Doping in perovskite nanocrystals adopts different mechanistic approach in comparison to widely established doping in chalcogenide quantum dots. The fast formation of perovskites makes the dopant insertions more competitive and challenging. Introducing alkylamine hydrochloride (RNH{sub 3}Cl) as a promoting reagent, precise controlled doping of Mn{sup II} in CsPbCl{sub 3} perovskite nanocrystals is reported. Simply, by changing the amount of RNH{sub 3}Cl, the Mn incorporation and subsequent tuning in the excitonic as well as Mn d-d emission intensities are tailored. Investigations suggested that RNH{sub 3}Cl acted as the chlorinating source, controlled the size, and also helps in increasing the number of particles. This provided more opportunity for Mn ions to take part in reaction and occupied the appropriate lattice positions. Carrying out several reactions with varying reaction parameters, the doping conditions are optimized and the role of the promoting reagent for both doped and undoped systems are compared. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Electrochemical synthesis of nanostructured Se-doped SnS: Effect of Se-dopant on surface characterizations

    Science.gov (United States)

    Kafashan, Hosein; Azizieh, Mahdi; Balak, Zohre

    2017-07-01

    SnS1-xSex nanostructures with different Se-dopant concentrations were deposited on fluorine doped tin oxide (FTO) substrate through cathodic electrodeposition technique. The pH, temperature, applied potential (E), and deposition time remained were 2.1, 60 °C, -1 V, and 30 min, respectively. SnS1-xSex nanostructures were characterized using X-ray diffraction (XRD), field emission scanning electron microcopy (FESEM), energy dispersive X-ray spectroscopy (EDX), room temperature photoluminescence (PL), and UV-vis spectroscopy. The XRD patterns revealed that the SnS1-xSex nanostructures were polycrystalline with orthorhombic structure. FESEM showed various kinds of morphologies in SnS1-xSex nanostructures due to Se-doping. PL and UV-vis spectroscopy were used to evaluate the optical properties of SnS1-xSex thin films. The PL spectra of SnS1-xSex nanostructures displayed four emission peaks, those are a blue, a green, an orange, and a red emission. UV-vis spectra showed that the optical band gap energy (Eg) of SnS1-xSex nanostructures varied between 1.22-1.65 eV, due to Se-doping.

  19. Complex EUV imaging reflectometry: spatially resolved 3D composition determination and dopant profiling with a tabletop 13nm source

    Science.gov (United States)

    Porter, Christina L.; Tanksalvala, Michael; Gerrity, Michael; Miley, Galen P.; Esashi, Yuka; Horiguchi, Naoto; Zhang, Xiaoshi; Bevis, Charles S.; Karl, Robert; Johnsen, Peter; Adams, Daniel E.; Kapteyn, Henry C.; Murnane, Margaret M.

    2018-03-01

    With increasingly 3D devices becoming the norm, there is a growing need in the semiconductor industry and in materials science for high spatial resolution, non-destructive metrology techniques capable of determining depth-dependent composition information on devices. We present a solution to this problem using ptychographic coherent diffractive imaging (CDI) implemented using a commercially available, tabletop 13 nm source. We present the design, simulations, and preliminary results from our new complex EUV imaging reflectometer, which uses coherent 13 nm light produced by tabletop high harmonic generation. This tool is capable of determining spatially-resolved composition vs. depth profiles for samples by recording ptychographic images at multiple incidence angles. By harnessing phase measurements, we can locally and nondestructively determine quantities such as device and thin film layer thicknesses, surface roughness, interface quality, and dopant concentration profiles. Using this advanced imaging reflectometer, we can quantitatively characterize materials-sciencerelevant and industry-relevant nanostructures for a wide variety of applications, spanning from defect and overlay metrology to the development and optimization of nano-enhanced thermoelectric or spintronic devices.

  20. Direct atomic fabrication and dopant positioning in Si using electron beams with active real-time image-based feedback

    Science.gov (United States)

    Jesse, Stephen; Hudak, Bethany M.; Zarkadoula, Eva; Song, Jiaming; Maksov, Artem; Fuentes-Cabrera, Miguel; Ganesh, Panchapakesan; Kravchenko, Ivan; Snijders, Panchapakesan C.; Lupini, Andrew R.; Borisevich, Albina Y.; Kalinin, Sergei V.

    2018-06-01

    Semiconductor fabrication is a mainstay of modern civilization, enabling the myriad applications and technologies that underpin everyday life. However, while sub-10 nanometer devices are already entering the mainstream, the end of the Moore’s law roadmap still lacks tools capable of bulk semiconductor fabrication on sub-nanometer and atomic levels, with probe-based manipulation being explored as the only known pathway. Here we demonstrate that the atomic-sized focused beam of a scanning transmission electron microscope can be used to manipulate semiconductors such as Si on the atomic level, inducing growth of crystalline Si from the amorphous phase, reentrant amorphization, milling, and dopant front motion. These phenomena are visualized in real-time with atomic resolution. We further implement active feedback control based on real-time image analytics to automatically control the e-beam motion, enabling shape control and providing a pathway for atom-by-atom correction of fabricated structures in the near future. These observations open a new epoch for atom-by-atom manufacturing in bulk, the long-held dream of nanotechnology.

  1. Influence of Mn-dopant on the properties of α-FeOOH particles precipitated in highly alkaline media

    International Nuclear Information System (INIS)

    Krehula, Stjepko; Music, Svetozar

    2006-01-01

    The effects of Mn-dopant on the formation of solid solutions α-(Fe, Mn)OOH in dependence on the initial concentration ratio r = [Mn]/([Mn] + [Fe]), as well as on the size and morphology of the corresponding particles were investigated using Moessbauer and FT-IR spectroscopies, high-resolution scanning electron microscopy (FE SEM) and an energy dispersive X-ray analyser (EDS). The value of the hyperfine magnetic field of 34.9 T, as recorded for the reference α-FeOOH sample at RT, decreased linearly up to 21.4 T for sample with r = 0.1667. Only a paramagnetic doublet at RT was recorded for sample with r = 0.2308, a ferrite phase was additionally found for r = 0.3333. Fe-OH bending IR bands, δ OH and γ OH , were influenced by the Mn-substitution as manifested through their gradual shifts. FE SEM micrographs showed a great elongation of the starting acicular particles along the c-axis with an increase in Mn-doping. For r = 0.1667 and 0.2308 star-shaped and dendritic twin α-(Fe, Mn)OOH particles were observed. The length of these α-(Fe, Mn)OOH particles decreased, whereas their width increased. The α-Fe 2 O 3 phase was not detected in any of the samples prepared

  2. A comparison of the influence of different dopants on the radar-absorbing properties of barium hexaferrite

    International Nuclear Information System (INIS)

    Jones, M.; Suder, M.M.; Edge, A.J.J.; Stewart, G.A.; Hutchison, W.D.; Amiet, A.; Jewsbury, P.

    2004-01-01

    Full text: The ferromagnetic resonance of barium hexaferrite is at approximately 48 GHz, which sits well above the frequency bands employed by most radar systems. However, certain elements (or combinations of elements), when doped into the iron sub-lattice, have been observed to weaken the system's uniaxial magnetocrystalline anisotropy and thereby lower the ferromagnetic resonance frequency. This contribution presents a survey of ferromagnetic resonance frequencies published in the literature, as well as resonance frequencies that we have converted from published magnetic characterisations of the magnetic anisotropy. In several cases we have confirmed the reliability of such converted values, and new data will be presented for (Co 1/2 Zr 1/2 )- and (Co 1/2 Mo 1/2 )-doped barium hexaferrite. Our specimen materials were prepared by solid state reaction, and characterised using x-ray powder diffraction and 57 Fe Moessbauer spectroscopy. The electromagnetic response characteristics were recorded with a microwave network analyser, using either a co-axial specimen (0 - 18 GHz) or a larger, planar tile specimen (0 - 40 GHz). An ideal radar absorbing material would require just a small concentration of an inexpensive dopant to lower the ferromagnetic resonance frequency into the 0 - 2 GHz band that is typical of long-range radars. The likelihood of finding such a doped barium hexaferrite system will be discussed

  3. Direct atomic fabrication and dopant positioning in Si using electron beams with active real-time image-based feedback.

    Science.gov (United States)

    Jesse, Stephen; Hudak, Bethany M; Zarkadoula, Eva; Song, Jiaming; Maksov, Artem; Fuentes-Cabrera, Miguel; Ganesh, Panchapakesan; Kravchenko, Ivan; Snijders, Panchapakesan C; Lupini, Andrew R; Borisevich, Albina Y; Kalinin, Sergei V

    2018-06-22

    Semiconductor fabrication is a mainstay of modern civilization, enabling the myriad applications and technologies that underpin everyday life. However, while sub-10 nanometer devices are already entering the mainstream, the end of the Moore's law roadmap still lacks tools capable of bulk semiconductor fabrication on sub-nanometer and atomic levels, with probe-based manipulation being explored as the only known pathway. Here we demonstrate that the atomic-sized focused beam of a scanning transmission electron microscope can be used to manipulate semiconductors such as Si on the atomic level, inducing growth of crystalline Si from the amorphous phase, reentrant amorphization, milling, and dopant front motion. These phenomena are visualized in real-time with atomic resolution. We further implement active feedback control based on real-time image analytics to automatically control the e-beam motion, enabling shape control and providing a pathway for atom-by-atom correction of fabricated structures in the near future. These observations open a new epoch for atom-by-atom manufacturing in bulk, the long-held dream of nanotechnology.

  4. Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

    Science.gov (United States)

    Hamers, Robert J.; Wang, Yajun; Shan, Jun

    1996-11-01

    We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

  5. Combined DFT and DEMS investigation of the effect of dopants in secondary zinc‐air batteries

    DEFF Research Database (Denmark)

    Lysgaard, Steen; Christensen, Mathias K.; Hansen, Heine A.

    2018-01-01

    Zinc‐air batteries offer the potential of low cost energy storage with high energy density, but at present secondary batteries suffer from poor cyclability. To develop secondary Zn‐air batteries, several challenges need to be overcome: choking of the cathode, catalyzing the oxygen evolution...... and reduction reactions, limiting dendrite formation and the hydrogen evolution reaction (HER). Understanding and alleviating HER at the anode is a challenge, where it is necessary to involve computational as well as experimental research. Here, we combine Differential Electrochemical Mass Spectrometry (DEMS......) and density functional theory calculations to investigate the fundamental role and stability over cycling of possible additives such as In, Bi and Ag. We show that both In and Bi have the desired property for a secondary battery that upon recharging, they will remain in the surface, thereby retaining...

  6. Quantitative Characterization of the Nanoscale Local Lattice Strain Induced by Sr Dopants in La1.92Sr0.08CuO4

    Science.gov (United States)

    Lin, J. Q.; Liu, X.; Blackburn, E.; Wakimoto, S.; Ding, H.; Islam, Z.; Sinha, S. K.

    2018-05-01

    The nanometer scale lattice deformation brought about by the dopants in the high temperature superconducting cuprate La2 -xSrx CuO4 (x =0.08 ) was investigated by measuring the associated x-ray diffuse scattering around multiple Bragg peaks. A characteristic diffuse scattering pattern was observed, which can be well described by continuum elastic theory. With the fitted dipole force parameters, the acoustic-type lattice deformation pattern was reconstructed and found to be of similar size to lattice thermal vibration at 7 K. Our results address the long-term concern of dopant introduced local lattice inhomogeneity, and show that the associated nanometer scale lattice deformation is marginal and cannot, alone, be responsible for the patched variation in the spectral gaps observed with scanning tunneling microscopy in the cuprates.

  7. A phononic crystal strip based on silicon for support tether applications in silicon-based MEMS resonators and effects of temperature and dopant on its band gap characteristics

    Directory of Open Access Journals (Sweden)

    Thi Dep Ha

    2016-04-01

    Full Text Available Phononic crystals (PnCs and n-type doped silicon technique have been widely employed in silicon-based MEMS resonators to obtain high quality factor (Q as well as temperature-induced frequency stability. For the PnCs, their band gaps play an important role in the acoustic wave propagation. Also, the temperature and dopant doped into silicon can cause the change in its material properties such as elastic constants, Young’s modulus. Therefore, in order to design the simultaneous high Q and frequency stability silicon-based MEMS resonators by two these techniques, a careful design should study effects of temperature and dopant on the band gap characteristics to examine the acoustic wave propagation in the PnC. Based on these, this paper presents (1 a proposed silicon-based PnC strip structure for support tether applications in low frequency silicon-based MEMS resonators, (2 influences of temperature and dopant on band gap characteristics of the PnC strips. The simulation results show that the largest band gap can achieve up to 33.56 at 57.59 MHz and increase 1280.13 % (also increase 131.89 % for ratio of the widest gaps compared with the counterpart without hole. The band gap properties of the PnC strips is insignificantly effected by temperature and electron doping concentration. Also, the quality factor of two designed length extensional mode MEMS resonators with proposed PnC strip based support tethers is up to 1084.59% and 43846.36% over the same resonators with PnC strip without hole and circled corners, respectively. This theoretical study uses the finite element analysis in COMSOL Multiphysics and MATLAB softwares as simulation tools. This findings provides a background in combination of PnC and dopant techniques for high performance silicon-based MEMS resonators as well as PnC-based MEMS devices.

  8. A phononic crystal strip based on silicon for support tether applications in silicon-based MEMS resonators and effects of temperature and dopant on its band gap characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Ha, Thi Dep, E-mail: hathidep@yahoo.com [School of Electronic Engineering, University of Electronic Science and Technology of China, Chengdu 611731 (China); Faculty of Electronic Technology, Industrial University of Ho Chi Minh City, Hochiminh City (Viet Nam); Bao, JingFu, E-mail: baojingfu@uestc.edu.cn [School of Electronic Engineering, University of Electronic Science and Technology of China, Chengdu 611731 (China)

    2016-04-15

    Phononic crystals (PnCs) and n-type doped silicon technique have been widely employed in silicon-based MEMS resonators to obtain high quality factor (Q) as well as temperature-induced frequency stability. For the PnCs, their band gaps play an important role in the acoustic wave propagation. Also, the temperature and dopant doped into silicon can cause the change in its material properties such as elastic constants, Young’s modulus. Therefore, in order to design the simultaneous high Q and frequency stability silicon-based MEMS resonators by two these techniques, a careful design should study effects of temperature and dopant on the band gap characteristics to examine the acoustic wave propagation in the PnC. Based on these, this paper presents (1) a proposed silicon-based PnC strip structure for support tether applications in low frequency silicon-based MEMS resonators, (2) influences of temperature and dopant on band gap characteristics of the PnC strips. The simulation results show that the largest band gap can achieve up to 33.56 at 57.59 MHz and increase 1280.13 % (also increase 131.89 % for ratio of the widest gaps) compared with the counterpart without hole. The band gap properties of the PnC strips is insignificantly effected by temperature and electron doping concentration. Also, the quality factor of two designed length extensional mode MEMS resonators with proposed PnC strip based support tethers is up to 1084.59% and 43846.36% over the same resonators with PnC strip without hole and circled corners, respectively. This theoretical study uses the finite element analysis in COMSOL Multiphysics and MATLAB softwares as simulation tools. This findings provides a background in combination of PnC and dopant techniques for high performance silicon-based MEMS resonators as well as PnC-based MEMS devices.

  9. Effect of aluminium concentration and boron dopant on environmental embrittlement in FeAl aluminides

    International Nuclear Information System (INIS)

    Liu, C.T.; George, E.P.

    1991-01-01

    This paper reports on the room-temperature tensile properties of FeAl aluminides determined as functions of aluminum concentration (35 to 43 at. % Al), test environment, and surface (oil) coating. The two lower aluminum alloys containing 35 and 36.5% Al are prone to severe environmental embrittlement, while the two higher aluminum alloys with 40 and 43% Al are much less sensitive to change in test environment and surface coating. The reason for the different behavior is that the grain boundaries are intrinsically weak in the higher aluminum alloys, and these weak boundaries dominate the low ductility and brittle fracture behavior of the 40 and 43% Al alloys. When boron is added to the 40% Al alloy as a grain-boundary strengthener, the environmental effect becomes prominent. In this case, the tensile ductility of the boron-doped alloy, just like that of the lower aluminum alloys, can be dramatically improved by control of test environment (e.g. dry oxygen vs air). Strong segregation of boron to the grain boundaries, with a segregation factor of 43, was revealed by Auger analyses

  10. Gallium diffusion in zinc oxide via the paired dopant-vacancy mechanism

    Science.gov (United States)

    Sky, T. N.; Johansen, K. M.; Riise, H. N.; Svensson, B. G.; Vines, L.

    2018-02-01

    Isochronal and isothermal diffusion experiments of gallium (Ga) in zinc oxide (ZnO) have been performed in the temperature range of 900-1050 °C. The samples used consisted of a sputter-deposited and highly Ga-doped ZnO film at the surface of a single-crystal bulk material. We use a novel reaction diffusion (RD) approach to demonstrate that the diffusion behavior of Ga in ZnO is consistent with zinc vacancy (VZn) mediation via the formation and dissociation of GaZnVZn complexes. In the RD modeling, experimental diffusion data are fitted utilizing recent density-functional-theory estimates of the VZn formation energy and the binding energy of GaZnVZn. From the RD modeling, a migration energy of 2.3 eV is deduced for GaZnVZn, and a total/effective activation energy of 3.0 eV is obtained for the Ga diffusion. Furthermore, and for comparison, employing the so-called Fair model, a total/effective activation energy of 2.7 eV is obtained for the Ga diffusion, reasonably close to the total value extracted from the RD-modeling.

  11. Influence of dopant on dielectric properties of polyaniline weakly doped with dichloro and trichloroacetic acids

    International Nuclear Information System (INIS)

    Fattoum, A; Arous, M; Gmati, F; Dhaoui, W; Mohamed, A Belhadj

    2007-01-01

    We report the results of dielectric measurements over the frequency range10 Hz-1 MHz and the temperature range 150-300 K on polyaniline subjected to doping with dichloroacetic acid (DCA) and trichloroacetic acid (TCA) with various doping levels (6.1%, 8.2%, 13.3% and 4.1%, 6.15%, 13.5%, respectively). Conductivity is increased when the doping level or temperature is increased and samples doped with TCA are more conductive than those doped with DCA. A high frequency relaxation peak is observed in the loss factor curves attributed to the motion of charge carriers in the bulk polymer. A second loss peak appears in the low frequency range when we use the dielectric modulus representation and is attributed to electrode polarization. Both relaxations are well fitted by the Havriliak-Negami function, and the fitting parameters are determined. The characteristic relaxation frequency is described by the Arrhenius law. The activation energy for both relaxations is decreased by increasing the doping level and it is lower in the case of TCA doping acid

  12. Sc and Nb Dopants in SrCoO3 Modulate Electronic and Vacancy Structures for Improved Water Splitting and SOFC Cathodes

    KAUST Repository

    Tahini, Hassan A.

    2017-01-12

    SrCoO3 is a promising material in the field of electrocatalysis. Difficulties in synthesising the material in its cubic phase have been overcome by doping it with Sc and Nb ions [Mater. Horiz.2015, 2, 495–501]. Using ab initio calculations and special quasi random structures we undertake a systematic study of these dopants in order to elucidate the effect of doping on electronic structure of the SrCoO3 host and the formation of oxygen vacancies. We find that while the overall electronic structure of SrCoO3 is preserved, increasing the Sc fraction leads to a decrease of electrical conductivity, in agreement with earlier experimental work. For low Sc and Nb doping fractions we find that the oxygen vacancy formation increases relative to undoped SrCoO3. However, as the dopants concentration is increased the vacancy formation energy drops significantly, indicating a strong tendency to accommodate high concentration of oxygen vacancies and hence non-stoichiometry. This is explained based on the electronic instabilities caused by the presence of Sc ions which weakens the B-O interactions as well as the increased degree of electron delocalization on the oxygen sublattice. Sc dopants also shift the p-band centre closer to the Fermi level, which can be associated with experimentally reported improvements in oxygen evolution reactions. These findings provide crucial baseline information for the design of better electrocatalysts for oxygen evolution reactions as well as fuel-cell cathode materials.

  13. Sc and Nb Dopants in SrCoO3 Modulate Electronic and Vacancy Structures for Improved Water Splitting and SOFC Cathodes

    KAUST Repository

    Tahini, Hassan A.; Tan, Xin; Zhou, Wei; Zhu, Zhonghua; Schwingenschlö gl, Udo; Smith, Sean C.

    2017-01-01

    SrCoO3 is a promising material in the field of electrocatalysis. Difficulties in synthesising the material in its cubic phase have been overcome by doping it with Sc and Nb ions [Mater. Horiz.2015, 2, 495–501]. Using ab initio calculations and special quasi random structures we undertake a systematic study of these dopants in order to elucidate the effect of doping on electronic structure of the SrCoO3 host and the formation of oxygen vacancies. We find that while the overall electronic structure of SrCoO3 is preserved, increasing the Sc fraction leads to a decrease of electrical conductivity, in agreement with earlier experimental work. For low Sc and Nb doping fractions we find that the oxygen vacancy formation increases relative to undoped SrCoO3. However, as the dopants concentration is increased the vacancy formation energy drops significantly, indicating a strong tendency to accommodate high concentration of oxygen vacancies and hence non-stoichiometry. This is explained based on the electronic instabilities caused by the presence of Sc ions which weakens the B-O interactions as well as the increased degree of electron delocalization on the oxygen sublattice. Sc dopants also shift the p-band centre closer to the Fermi level, which can be associated with experimentally reported improvements in oxygen evolution reactions. These findings provide crucial baseline information for the design of better electrocatalysts for oxygen evolution reactions as well as fuel-cell cathode materials.

  14. Effects of Zn2+ and Pb2+ dopants on the activity of Ga2O3-based photocatalysts for water splitting.

    Science.gov (United States)

    Wang, Xiang; Shen, Shuai; Jin, Shaoqing; Yang, Jingxiu; Li, Mingrun; Wang, Xiuli; Han, Hongxian; Li, Can

    2013-11-28

    Zn-doped and Pb-doped β-Ga2O3-based photocatalysts were prepared by an impregnation method. The photocatalyst based on the Zn-doped β-Ga2O3 shows a greatly enhanced activity in water splitting while the Pb-doped β-Ga2O3 one shows a dramatic decrease in activity. The effects of Zn(2+) and Pb(2+) dopants on the activity of Ga2O3-based photocatalysts for water splitting were investigated by HRTEM, XPS and time-resolved IR spectroscopy. A ZnGa2O4-β-Ga2O3 heterojunction is formed in the surface region of the Zn-doped β-Ga2O3 and a slower decay of photogenerated electrons is observed. The ZnGa2O4-β-Ga2O3 heterojunction exhibits type-II band alignment and facilitates charge separation, thus leading to an enhanced photocatalytic activity for water splitting. Unlike Zn(2+) ions, Pb(2+) ions are coordinated by oxygen atoms to form polyhedra as dopants, resulting in distorted surface structure and fast decay of photogenerated electrons of β-Ga2O3. These results suggest that the Pb dopants act as charge recombination centers expediting the recombination of photogenerated electrons and holes, thus decreasing the photocatalytic activity.

  15. Controlled light emission from white organic light-emitting devices with a single blue-emitting host and multiple fluorescent dopants

    International Nuclear Information System (INIS)

    Chin, Byung Doo; Kim, Jai Kyeong; Park, O Ok

    2007-01-01

    In this work, we fabricated white organic light-emitting devices (WOLEDs) containing a layered light-emitting region composed of a single blue-emitting host and different fluorescent dopant materials. The effects of varying the dye-doping ratio and emitting layer thickness on the efficiency, lifetime, spectral voltage-dependence and white balance were investigated for devices with a blue/orange stacked layer structure. Addition of a blue host layer doped with a green-emitting dopant, to give a blue/green/orange emitter, resulted in a broadband white spectrum without the need for a charge-blocking interlayer. The composition of blue, green and orange dopants in the host and the thickness of each emitting layer were optimized, resulting in a device efficiency of 9-11 cd A -1 even at a high brightness of 10 000 cd m -2 (achieved at a bias voltage of less than 9 V) with an emission spectrum suitable for lighting applications

  16. Materials Growth and Optimization of InP/InGaAs and InAlAs/InGaAs Heterojunction Bipolar Transistor Structures by MOCVD Utilizing Carbon and Zinc Base Layer Dopants

    National Research Council Canada - National Science Library

    Givens, Michael

    1996-01-01

    The work in this Phase I program will examine the effect of base dopant species and various structural modifications on the material properties, device performance, and thermal stability of InP based HBTs...

  17. A novel δ-doped partially insulated dopant-segregated Schottky barrier SOI MOSFET for analog/RF applications

    International Nuclear Information System (INIS)

    Patil, Ganesh C; Qureshi, S

    2011-01-01

    In this paper, a comparative analysis of single-gate dopant-segregated Schottky barrier (DSSB) SOI MOSFET and raised source/drain ultrathin-body SOI MOSFET (RSD UTB) has been carried out to explore the thermal efficiency, scalability and analog/RF performance of these devices. A novel p-type δ-doped partially insulated DSSB SOI MOSFET (DSSB Pi-OX-δ) has been proposed to reduce the self-heating effect and to improve the high-frequency performance of DSSB SOI MOSFET over RSD UTB. The improved analog/RF figures of merit such as transconductance, transconductance generation factor, unity-gain frequency, maximum oscillation frequency, short-circuit current gain and unilateral power gain in DSSB Pi-OX-δ MOSFET show the suitability of this device for analog/RF applications. The reduced drain-induced barrier lowering, subthreshold swing and parasitic capacitances also make this device highly scalable. By using mixed-mode simulation capability of MEDICI simulator a cascode amplifier has been implemented using all the structures (RSD UTB, DSSB SOI and DSSB Pi-OX-δ MOSFETs). The results of this implementation show that the gain-bandwidth product in the case of DSSB Pi-OX-δ MOSFET has improved by 50% as compared to RSD UTB and by 20% as compared to DSSB SOI MOSFET. The detailed fabrication flow of DSSB Pi-OX-δ MOSFET has been proposed which shows that with the bare minimum of steps the performance of DSSB SOI MOSFET can be improved significantly in comparison to RSD UTB

  18. Investigation of MoO{sub x}/n-Si strong inversion layer interfaces via dopant-free heterocontact

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Teng; Liu, Ruiyuan; Wu, Chen; Zhong, Yanan; Liu, Yuqiang; Wang, Yusheng; Han, Yujie; Xia, Zhouhui; Zou, Yatao; Song, Tao; Duhm, Steffen; Sun, Baoquan [Inst. of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Lab. for Carbon-Based Functional Materials and Devices, Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow Univ. (China); Wang, Rongbin [Inst. of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Lab. for Carbon-Based Functional Materials and Devices, Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow Univ. (China); Institut fuer Physik and IRIS Adlershof, Humboldt-Universitaet Berlin (Germany); Koch, Norbert [Institut fuer Physik and IRIS Adlershof, Humboldt-Universitaet Berlin (Germany); Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany)

    2017-07-15

    Transition metal oxides (TMOs)/silicon (Si) heterocontact solar cells are currently under intensive investigation due to their simple fabrication process and less parasitic light absorption compared to traditional heterocontact counterparts. Effective segregation of carriers which is related to carrier-selective heterocontact is crucial for the performance of photovoltaic devices. Molybdenum oxide (MoO{sub x}, x ≤ 3), with a wide bandgap of ∝3.24 eV as well as defect bands derived from oxygen vacancies located inside the band gap, has been introduced to integrate with n-type Si (n-Si) as hole selective contact. Here, we utilize a stepwise in situ deposition of MoO{sub x} to investigate its interaction with Si by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) measurements. A strong inversion layer originating from a charge transfer process is demonstrated in the n-Si surface region upon MoO{sub x} contact characterized by XPS, UPS, capacitance-voltage (C-V), and minority charge carrier lifetime mapping measurements. A dopant-free heterocontact is built within n-Si with a high built-in potential (V{sub bi}) of ∝0.80 V which benefits for acquiring a high open circuit voltage (V{sub oc}). These results give a detailed interpretation on the carrier transport mechanism of MoO{sub x}/n-Si heterocontact and also pave a new route toward fabricating high efficiency, low-cost solar cells. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Influence of Nb dopant on the structural and optical properties of nanocrystalline TiO{sub 2} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kaleji, Behzad Koozegar, E-mail: bkaleji@yahoo.com [Department of Materials Engineering, Faculty of Engineering, Tarbiat Modares University, P.O. Box:14115-143, Tehran (Iran, Islamic Republic of); Sarraf-Mamoory, Rasoul, E-mail: rsarrafm@modares.ac.ir [Department of Materials Engineering, Faculty of Engineering, Tarbiat Modares University, P.O. Box:14115-143, Tehran (Iran, Islamic Republic of); Fujishima, Akira [Photo-catalyst Group, Kanagawa Academy of Science and Technology, KSP East 412, 3-2-1 Sakado, Takatsu-ku, Kawasaki, Kanagawa 213-0012 (Japan)

    2012-01-16

    Highlights: Black-Right-Pointing-Pointer We coated Nb-doped TiO{sub 2} films on glazed porcelain via sol-gel dip coating method. Black-Right-Pointing-Pointer We examined coatings by degradation of MB solution and optical light transmittance. Black-Right-Pointing-Pointer Coatings show enhanced photo-catalytic activity in 1 mol% Nb. Black-Right-Pointing-Pointer Nb doping inhibited the grain growth, and which are found to inhibit the anatase to rutile phase transformation. - Abstract: In this study, preparation of Nb-doped (0-20 mol% Nb) TiO{sub 2} dip-coated thin films on glazed porcelain substrates via sol-gel process has been investigated. The effects of Nb on the structural, optical, and photo-catalytic properties of applied thin films have been studied by X-ray diffraction, Raman spectroscopy, and scanning electron microscopy. Surface topography and surface chemical state of thin films was examined by atomic force microscope and X-ray photoelectron spectroscopy. XRD and Raman study showed that the Nb doping inhibited the grain growth. The photo-catalytic activity of the film was tested on degradation of methylene blue. Best photo-catalytic activity of Nb-doped TiO{sub 2} thin films were measured in the TiO{sub 2}-1 mol% Nb sample. The average optical transmittance of about 47% in the visible range and the band gap of films became wider with increasing Nb doping concentration. The Nb{sup 5+} dopant presented substitutional Ti{sup 4+} into TiO{sub 2} lattice.

  20. First principles density functional theory study of Pb doped α-MnO2 catalytic materials

    Science.gov (United States)

    Song, Zilin; Yan, Zhiguo; Yang, Xiaojun; Bai, Hang; Duan, Yuhua; Yang, Bin; Leng, Li

    2018-03-01

    The impact of Pb in the tunnels of manganese oxide octahedral molecular sieves on chemical state of Mn species and lattice oxygen were investigated utilizing density functional theory calculations. The results show that the Pb dopant in the tunnels of OMS-2 could reduce the average valence states of Mn. The lower energy required for bulk oxygen defects formation in Pb-OMS-2 validates the activation of lattice oxygen by inclusion of tunnel dopant. The inclusion of Pb promotes the catalytic oxidation activity of OMS-2 by reducing the energy required for the surface lattice oxygen migration during the Mars - van Krevelen oxidation process.

  1. Reduced work function of graphene by metal adatoms

    Energy Technology Data Exchange (ETDEWEB)

    Legesse, Merid; Mellouhi, Fedwa El; Bentria, El Tayeb; Madjet, Mohamed E. [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha (Qatar); Fisher, Timothy S. [School of Mechanical Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, IN 47907 (United States); Kais, Sabre [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha (Qatar); Department of Chemistry and Physics, Purdue University, West Lafayette, IN 46323 (United States); College of Science and Engineering, Hamad Bin Khalifa University, Doha (Qatar); Alharbi, Fahhad H., E-mail: falharbi@qf.org.qa [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha (Qatar); College of Science and Engineering, Hamad Bin Khalifa University, Doha (Qatar)

    2017-02-01

    Highlights: • Using DFT, the maximum reduction of graphene workfunction is investigated. This is important for many applications. • The calculations show that the adatoms prefer to relax at hollow sites. • The transfer of electrons from the adatoms to graphene shifts up the Fermi level. So, graphene becomes metallic. • For those dopants that have been used experimentally, the calculations agree with the experimental data. • We found that 8% doping by Cs reduces the work function to 2.05 eV. - Abstract: In this paper, the work function of graphene doped by different metal adatoms and at different concentrations is investigated. Density functional theory is used to maximize the reduction of the work function. In general, the work function drops significantly before reaching saturation. For example in the case of Cs doping, the work function saturates at 2.05 eV with a modest 8% doping. The adsorption of different concentrations on metal adatoms on graphene is also studied. Our calculations show that the adatoms prefer to relax at hollow sites. The transfer of electron from metallic dopants to the graphene for all the studied systems shifts the Fermi energy levels above the Dirac-point and the doped graphenes become metallic. The value of Fermi energy shifts depends on the type of metallic dopants and its concentrations. A detail analysis of the electronic structure in terms of band structure and density of states, absorption energy, and charge transfer for each adatom-graphene system is presented.

  2. Reduced work function of graphene by metal adatoms

    International Nuclear Information System (INIS)

    Legesse, Merid; Mellouhi, Fedwa El; Bentria, El Tayeb; Madjet, Mohamed E.; Fisher, Timothy S.; Kais, Sabre; Alharbi, Fahhad H.

    2017-01-01

    Highlights: • Using DFT, the maximum reduction of graphene workfunction is investigated. This is important for many applications. • The calculations show that the adatoms prefer to relax at hollow sites. • The transfer of electrons from the adatoms to graphene shifts up the Fermi level. So, graphene becomes metallic. • For those dopants that have been used experimentally, the calculations agree with the experimental data. • We found that 8% doping by Cs reduces the work function to 2.05 eV. - Abstract: In this paper, the work function of graphene doped by different metal adatoms and at different concentrations is investigated. Density functional theory is used to maximize the reduction of the work function. In general, the work function drops significantly before reaching saturation. For example in the case of Cs doping, the work function saturates at 2.05 eV with a modest 8% doping. The adsorption of different concentrations on metal adatoms on graphene is also studied. Our calculations show that the adatoms prefer to relax at hollow sites. The transfer of electron from metallic dopants to the graphene for all the studied systems shifts the Fermi energy levels above the Dirac-point and the doped graphenes become metallic. The value of Fermi energy shifts depends on the type of metallic dopants and its concentrations. A detail analysis of the electronic structure in terms of band structure and density of states, absorption energy, and charge transfer for each adatom-graphene system is presented.

  3. Electrochemical synthesis of nanostructured Se-doped SnS: Effect of Se-dopant on surface characterizations

    International Nuclear Information System (INIS)

    Kafashan, Hosein; Azizieh, Mahdi; Balak, Zohre

    2017-01-01

    Highlights: • Nanostructured SnS_1_-_xSe_x thin films were prepared by using electrodeposition method. • The XRD patterns obviously showed that the synthesized films were polycrystalline. • The PL spectra of SnS_1_-_xSe_x thin films showed four emission peaks. • The UV–vis spectra shows a variation in the optical band gap energy of SnS_1_-_xSe_x thin films from 1.22 to 1.65 eV. • SnS_1_-_xSe_x thin films would be suitable for use as absorber layers. - Abstract: SnS_1_-_xSe_x nanostructures with different Se-dopant concentrations were deposited on fluorine doped tin oxide (FTO) substrate through cathodic electrodeposition technique. The pH, temperature, applied potential (E), and deposition time remained were 2.1, 60 °C, −1 V, and 30 min, respectively. SnS_1_-_xSe_x nanostructures were characterized using X-ray diffraction (XRD), field emission scanning electron microcopy (FESEM), energy dispersive X-ray spectroscopy (EDX), room temperature photoluminescence (PL), and UV–vis spectroscopy. The XRD patterns revealed that the SnS_1_-_xSe_x nanostructures were polycrystalline with orthorhombic structure. FESEM showed various kinds of morphologies in SnS_1_-_xSe_x nanostructures due to Se-doping. PL and UV–vis spectroscopy were used to evaluate the optical properties of SnS_1_-_xSe_x thin films. The PL spectra of SnS_1_-_xSe_x nanostructures displayed four emission peaks, those are a blue, a green, an orange, and a red emission. UV–vis spectra showed that the optical band gap energy (E_g) of SnS_1_-_xSe_x nanostructures varied between 1.22–1.65 eV, due to Se-doping.

  4. Influences of donor dopants on the properties of PZT-PMS-PZN piezoelectric ceramics sintered at low temperatures

    International Nuclear Information System (INIS)

    Yoon, Seokjin; Choi, Jiwon; Choi, Jooyoung; Wan, Dandan; Li, Qian; Yang, Ying

    2010-01-01

    0.90Pb(Zr 0.48 Ti 0.52 )O 3 -0.05Pb(Mn 1/3 Sb 2/3 )O 3 -0.05Pb(Zn 1/3 Nb 2/3 )O 3 quaternary piezoelectric ceramics with CuO added were synthesized by using a conventional method at low sintering temperatures. CuO additive, 1.0 wt%, significantly improves the sinterability of 0.90PZT-0.05PMS-0.05PZN ceramics, lowering the sintering temperature to 900 .deg. C and showing moderate electrical properties: d 33 = 306 pC/N, Q m = 997, k p = 53.6%, tanδ = 0.50%, and ε T 33 = 1351. To obtain more optimal piezoelectric properties, we selected Bi 2 O 3 and Nb 2 O 5 as donor dopants to introduce a softening effect. The crystal structure, micro-morphology and electrical properties were studied in terms of the Bi 2 O 3 and the Nb 2 O 5 contents. Our study demonstrates that Bi 2 O 3 is very effective in improving the piezoelectric properties, causing a significant enhancement in d 33 and k p values. Particularly, 0.75-wt%-Bi 2 O 3 -added 0.90PZT-0.05PMS-0.05PZN + 1.0 wt% CuO ceramics show excellent electrical properties: d 33 = 363 pC/N, Q m = 851, k p = 59.3%, tanδ = 0.38%, and ε T 33 = 1596. On the other hand, the effect of Nb 2 O 5 on the piezoelectric properties is very complicated, 0.50 wt% Nb 2 O 5 doped 0.90PZT-0.05PMS-0.05PZN + 1.0 wt% CuO ceramics have a remarkable improvement in k p value and maintain good electrical properties: d 33 = 300 pC/N, Q m = 971, k p = 58.4%, tanδ = 0.36%, and ε T 33 = 1332.

  5. Electrochemical synthesis of nanostructured Se-doped SnS: Effect of Se-dopant on surface characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Kafashan, Hosein, E-mail: hosein840521@gmail.com; Azizieh, Mahdi; Balak, Zohre

    2017-07-15

    Highlights: • Nanostructured SnS{sub 1-x}Se{sub x} thin films were prepared by using electrodeposition method. • The XRD patterns obviously showed that the synthesized films were polycrystalline. • The PL spectra of SnS{sub 1-x}Se{sub x} thin films showed four emission peaks. • The UV–vis spectra shows a variation in the optical band gap energy of SnS{sub 1-x}Se{sub x} thin films from 1.22 to 1.65 eV. • SnS{sub 1-x}Se{sub x} thin films would be suitable for use as absorber layers. - Abstract: SnS{sub 1-x}Se{sub x} nanostructures with different Se-dopant concentrations were deposited on fluorine doped tin oxide (FTO) substrate through cathodic electrodeposition technique. The pH, temperature, applied potential (E), and deposition time remained were 2.1, 60 °C, −1 V, and 30 min, respectively. SnS{sub 1-x}Se{sub x} nanostructures were characterized using X-ray diffraction (XRD), field emission scanning electron microcopy (FESEM), energy dispersive X-ray spectroscopy (EDX), room temperature photoluminescence (PL), and UV–vis spectroscopy. The XRD patterns revealed that the SnS{sub 1-x}Se{sub x} nanostructures were polycrystalline with orthorhombic structure. FESEM showed various kinds of morphologies in SnS{sub 1-x}Se{sub x} nanostructures due to Se-doping. PL and UV–vis spectroscopy were used to evaluate the optical properties of SnS{sub 1-x}Se{sub x} thin films. The PL spectra of SnS{sub 1-x}Se{sub x} nanostructures displayed four emission peaks, those are a blue, a green, an orange, and a red emission. UV–vis spectra showed that the optical band gap energy (E{sub g}) of SnS{sub 1-x}Se{sub x} nanostructures varied between 1.22–1.65 eV, due to Se-doping.

  6. Dopant concentration and thermoluminescence (TL) properties of tailor-made Ge-doped SiO2 fibres

    International Nuclear Information System (INIS)

    Zahaimi, Nurul Arina; Ooi Abdullah, Mohd Haris Ridzuan; Zin, Hafiz; Abdul Rahman, Ahmad Lutfi; Hashim, Suhairul; Saripan, Mohd Iqbal; Paul, Mukul Chandra; Bradley, D.A.; Abdul Rahman, Ahmad Taufek

    2014-01-01

    Study focuses on characterisation of diverse concentrations of Ge-doped SiO 2 fibre as a potential thermoluminescence (TL) system for radiotherapy dosimetry. Irradiations were made using a linear accelerator providing 6 MV and 10 MV photon beams. Investigation has been done on various doped core diameter Ge-doped SiO 2 glass fibres such as commercial telecommunication fibres of 8 µm and 9 µm (CorActive High Tech, Canada), tailor-made fibres of 23 and 50 µm produced by the Central Glass and Ceramic Research Institute Kolkata, and tailor-made fibres of 11 µm produced by the University of Malaya Photonics Research Centre. The fibres have been characterised for TL sensitivity, reproducibility, dose- and energy-dependence. The area under the TL glow curve increases with increasing core diameter. For repeat irradiations at a fixed dose the dosimeter produces a flat response better than 4% (1SD) of the mean of the TL distribution. Minimal TL signal fading was found, less than 0.5% per day post irradiation. Linearity of TL has been observed with a correlation coefficient (r 2 ) of better than 0.980 (at 95% confidence level). For particular dopant concentrations, the least square fits show the change in TL yield, in counts per second per unit mass, obtained from 50 µm core diameter fibres irradiated at 6 MV of photon to be 8 times greater than that of 8 µm core diameter fibre. With respect to energy response, the TL yield at 10 MV decreases by∼5% compared to that at 6 MV, primarily due to the lower mass energy absorption coefficient at higher photon energy. These early results indicate that selectively screened fibres can be developed into a promising TL system, offering high spatial resolution capability and, with this, verification of complex radiotherapy dose distributions. - Highlights: • We examined the TL glow curve intensity for various diameter sizes of germanium doped silica glass fibre. • TL sensitivity increased with the increase of fibre core

  7. The influence of Zn-dopant on the precipitation of α-FeOOH in highly alkaline media

    International Nuclear Information System (INIS)

    Krehula, Stjepko; Music, Svetozar; Skoko, Zeljko; Popovic, Stanko

    2006-01-01

    The influence of Zn-dopant on the precipitation of α-FeOOH in highly alkaline media was monitored by X-ray diffraction (XRD), 57 Fe Moessbauer and Fourier transform infrared (FT-IR) spectroscopies and field emission scanning electron microscopy (FE SEM). Acicular and monodisperse α-FeOOH particles were precipitated at a very high pH by adding a tetramethylammonium hydroxide solution to an aqueous solution of FeCl 3 . The XRD analysis of the samples precipitated in the presence of Zn 2+ ions showed the formation of solid solutions of α-(Fe, Zn)OOH up to a concentration ratio r = [Zn]/([Zn] + [Fe]) = 0.0909. ZnFe 2 O 4 was additionally formed in the precipitate for r = 0.1111, whereas the three phases α-FeOOH, α-Fe 2 O 3 and ZnFe 2 O 4 were formed for r 0.1304. In the corresponding FT-IR spectra, the Fe-OH and Fe-O stretching bands were sensitive to the Zn 2+ substitution, whereas the Fe-OH bending bands of α-FeOOH at 892 and 796 cm -1 were almost insensitive. The Moessbauer spectra showed a high sensitivity to the formation of α-(Fe, Zn)OOH solid solutions which were monitored on the basis of a decrease in B hf values in dependence on Zn-doping. A strictly linear decrease in B hf for α-FeOOH doped with Zn 2+ ions was measured up to r = 0.0291, whereas for r = 0.0476 and higher there was a deviation from linearity. The presence of α-(Fe, Zn)OOH, α-Fe 2 O 3 and ZnFe 2 O 4 phases in the samples was determined quantitatively by Moessbauer spectroscopy. Likewise, Moessbauer spectroscopy did not show any formation of the solid solutions of α-Fe 2 O 3 with Zn 2+ ions. FE SEM showed a strong effect of Zn-doping on the elongation of acicular α-FeOOH particles (∼500-700 nm in length) up to r = 0.1111. For r = 0.1304 the sizes of ZnFe 2 O 4 particles were around 30-50 nm, and those of α-Fe 2 O 3 particles were around 500 nm, whereas a relatively small number of very elongated α-(Fe, Zn)OOH particles was observed. A possible mechanism of the formation of

  8. Direct versus ligand-exchange synthesis of [PtAg28(BDT)12(TPP)4]4− nanoclusters: effect of a single-atom dopant on the optoelectronic and chemical properties

    KAUST Repository

    Bootharaju, Megalamane Siddaramappa

    2017-06-07

    Heteroatom doping of atomically precise nanoclusters (NCs) often yields a mixture of doped and undoped products of single-atom difference, whose separation is extremely difficult. To overcome this challenge, novel synthesis methods are required to offer monodisperse doped NCs. For instance, the direct synthesis of PtAg28 NCs produces a mixture of [Ag29(BDT)12(TPP)4]3- and [PtAg28(BDT)12(TPP)4]4- NCs (TPP: triphenylphosphine; BDT: 1,3-benzenedithiolate). Here, we designed a ligand-exchange (LE) strategy to synthesize single-sized, Pt-doped, superatomic Ag NCs [PtAg28(BDT)12(TPP)4]4- by LE of [Pt2Ag23Cl7(TPP)10] NCs with BDTH2 (1,3-benzenedithiol). The doped NCs were thoroughly characterized by optical and photoelectron spectroscopy, mass spectrometry, total electron count, and time-dependent density functional theory (TDDFT). We show that the Pt dopant occupies the center of the PtAg28 cluster, modulates its electronic structure and enhances its photoluminescence intensity and excited-state lifetime, and also enables solvent interactions with the NC surface. Furthermore, doped NCs showed unique reactivity with metal ions - the central Pt atom of PtAg28 could not be replaced by Au, unlike the central Ag of Ag29 NCs. The achieved synthesis of single-sized PtAg28 clusters will facilitate further applications of the LE strategy for the exploration of novel multimetallic NCs.

  9. Low-temperature synthesis, structural and magnetic properties of self-dopant LaMnO{sub 3+δ} nanoparticles from a metal-organic polymeric precursor

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Tokeer, E-mail: tahmad3@jmi.ac.in [Nanochemistry Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi 110025 (India); Lone, Irfan H.; Ubaidullah, Mohd. [Nanochemistry Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi 110025 (India); Coolhan, Kelsey [Department of Physics and Astronomy, Rowan University, 201 Mullica Hill Road, Glassboro, NJ 08028 (United States)

    2013-11-15

    Graphical abstract: Monophasic and highly crystalline Self-dopant LaMnO{sub 3+δ} nanoparticles (72 nm) have been successfully synthesized at low temperature (773 K) by metal citrate complex method based on Pechini-type reaction route which showed ferromagnetic interaction. Surface areas of LaMnO{sub 3+δ} nanoparticles were found to be 157.4 and 153 m{sup 2} g{sup −1} for the samples annealed at 773 K and 1173 K, respectively. - Highlights: • Self-dopant LaMnO{sub 3+δ} nanoparticles using Pechini-type reaction route at 773 K. • Size range varies from 72 to 80 nm. • Surface area varies from 153 to 157 m{sup 2} g{sup −1}. • Extensive characterization using sophisticated techniques. - Abstract: Self-dopant LaMnO{sub 3+δ} nanoparticles have been successfully synthesized by metal citrate complex method based on Pechini-type reaction route, at low temperature (773 K). Powder X-ray diffraction and transmission electron microscope revealed pure and nanostructured phase of LaMnO{sub 3+δ} (δ = 0.125) with an average grain size of ∼72 nm (773 K) and ∼80 nm (1173 K). DC-magnetization measurements under an applied magnetic field of H = ±60 kOe showed an increase in the magnetization with the increase of calcination temperature. Ferromagnetic nature shown by non-stoichiometric LaMnO{sub 3+δ} was verified by well-defined hysteresis loop with large remanent magnetization (M{sub r}) and coercive field (H{sub c}). Surface areas of LaMnO{sub 3+δ} nanoparticles were found to be 157.4 and 153 m{sup 2} g{sup −1} for the samples annealed at 773 K and 1173 K, respectively.

  10. Effect of anionic dopants on thickness, morphology and electrical properties of polypyrrole ultra-thin films prepared by in situ chemical polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Mahmoodian, Mehrnoosh [Dep. of Polymer Engineering, Nanostructured Materials Research Center, Sahand University of Technology, Tabriz 51335-1996 (Iran, Islamic Republic of); Pourabbas, Behzad, E-mail: pourabas@sut.ac.ir [Dep. of Polymer Engineering, Nanostructured Materials Research Center, Sahand University of Technology, Tabriz 51335-1996 (Iran, Islamic Republic of); Mohajerzadeh, Shams [Nano-Electronics and Thin Film Lab, School of Electrical and Computer Engineering, University of Tehran, P.O. Box 14395/515, Tehran (Iran, Islamic Republic of)

    2015-05-29

    The effect of different dopant anions on deposition and characteristics of polypyrrole (PPy) thin film has been studied in this work. Ultra-thin films of conducting PPy were deposited on insulating surfaces of glass and oxidized silicon wafer by in situ chemical polymerization in the presence of different anionic dopants including sodium dodecylbenzenesulfonate, sodium dodecyl sulfate, α-naphthalene sulfonic acid, anthraquinone-2-sulfonic acid sodium salt monohydrate/5-sulfosalicylic acid dehydrate, and camphor sulfonic acid. Hydrophilic/hydrophobic properties and morphology of the self-assembled monolayer of N-(3-trimethoxysilylpropyl)pyrrole, the surface modifying agent in this work, and PPy thin films were characterized before and after deposition by contact angle measurements, field emission scanning electron microscopy, and atomic force microscopy. Chemical structure, thickness, and conductivity of the thin films were also studied by attenuated total reflectance Fourier transform infrared spectrometer, ellipsometry, and four-point probe measurements. The results showed deposition of thin films of conducting PPy with comparable thickness in the range of 6-31 nm and different morphologies, uniformity, and smoothness with average roughness in the range of 0.3-6 nm and relatively high range of conductivity on the modified surfaces. - Highlights: • Conducting thin films of polypyrrole were deposited on glass and SiO{sub 2} substrates. • Surface modification using pyrrole-silane was employed prior to polymerization. • Films as thin as ≈ 7 nm were deposited using different surfactant/counter ions. • Chemistry of the counter ion affects thickness, conductivity and morphology. • Lower thickness/higher conductivity were obtained by structurally flexible dopants.

  11. Investigation of the ionization mechanism of polycyclic aromatic hydrocarbons using an ethanol/bromobenzene/chlorobenzene/anisole mixture as a dopant in liquid chromatography/atmospheric pressure photoionization mass spectrometry

    KAUST Repository

    Amad, Maan H.; Sioud, Salim

    2012-01-01

    RATIONALE An ethanol-based multicomponent dopant consisting of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v/v/v) has been used as a dopant for atmospheric pressure photoionization (APPI) of polycyclic aromatic hydrocarbons (PAHs). In this study the mechanism of ionization of PAHs assisted by the ethanol-based multicomponent dopant is investigated. METHODS The reactant background cluster ions of the ethanol-based multicomponent dopant observed in the positive ion APPI were studied. These studies were performed to investigate the mechanism behind the generation of a molecular radical cation (M +•) for PAHs by APPI assisted by the ethanol-based multicomponent dopant. Full scan and MS/MS analyses were conducted using an LTQ Orbitrap mass spectrometer. The effect of acidification of the mobile phase on the dopant cluster ion formation was also investigated. RESULTS With the ethanol-based multicomponent dopant, a single type of molecular radical cation M +• was observed for the studied PAHs. The characteristic ion signal of the multicomponent dopant mixture consisted of mainly anisole photoions at m/z 108.05697 and its adduct ions at m/z 124.05188 and 164.07061. The anisole ion response at m/z 108.05697 was stable in the presence of acetonitrile, methanol, water and 0.1% formic acid mobile phase composition. CONCLUSIONS The abundance formation of anisole photoions shows the universality of this multicomponent dopant in ionizing compounds with ionization energy ranging from 7.1-8.2 eV. Since the ionization energy of anisole is 8.2 eV and is lower than those of chlorobenzene (9.07 eV) and bromobenzene (9.0 eV), the mechanism of formation of anisole photoions even with its very minute amounts was not only governed by its photoionization by the krypton lamp photon energy (10.0 eV and 10.6 eV), but also by charge transfer from bromobenzene and chlorobenzene radical cations. PAH molecules were mainly ionized by charge transfer reaction from

  12. Investigation of the ionization mechanism of polycyclic aromatic hydrocarbons using an ethanol/bromobenzene/chlorobenzene/anisole mixture as a dopant in liquid chromatography/atmospheric pressure photoionization mass spectrometry

    KAUST Repository

    Amad, Maan H.

    2012-09-23

    RATIONALE An ethanol-based multicomponent dopant consisting of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v/v/v) has been used as a dopant for atmospheric pressure photoionization (APPI) of polycyclic aromatic hydrocarbons (PAHs). In this study the mechanism of ionization of PAHs assisted by the ethanol-based multicomponent dopant is investigated. METHODS The reactant background cluster ions of the ethanol-based multicomponent dopant observed in the positive ion APPI were studied. These studies were performed to investigate the mechanism behind the generation of a molecular radical cation (M +•) for PAHs by APPI assisted by the ethanol-based multicomponent dopant. Full scan and MS/MS analyses were conducted using an LTQ Orbitrap mass spectrometer. The effect of acidification of the mobile phase on the dopant cluster ion formation was also investigated. RESULTS With the ethanol-based multicomponent dopant, a single type of molecular radical cation M +• was observed for the studied PAHs. The characteristic ion signal of the multicomponent dopant mixture consisted of mainly anisole photoions at m/z 108.05697 and its adduct ions at m/z 124.05188 and 164.07061. The anisole ion response at m/z 108.05697 was stable in the presence of acetonitrile, methanol, water and 0.1% formic acid mobile phase composition. CONCLUSIONS The abundance formation of anisole photoions shows the universality of this multicomponent dopant in ionizing compounds with ionization energy ranging from 7.1-8.2 eV. Since the ionization energy of anisole is 8.2 eV and is lower than those of chlorobenzene (9.07 eV) and bromobenzene (9.0 eV), the mechanism of formation of anisole photoions even with its very minute amounts was not only governed by its photoionization by the krypton lamp photon energy (10.0 eV and 10.6 eV), but also by charge transfer from bromobenzene and chlorobenzene radical cations. PAH molecules were mainly ionized by charge transfer reaction from

  13. Dopant spin states and magnetism of Sn{sub 1−x}Fe{sub x}O{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Punnoose, A., E-mail: apunnoos@boisestate.edu; Dodge, Kelsey; Reddy, K. M.; Franco, Nevil; Chess, Jordan; Eixenberger, Josh [Department of Physics, Boise State University, Boise, Idaho 83725-1570 (United States); Beltrán, J. J. [Department of Physics, Boise State University, Boise, Idaho 83725-1570 (United States); Grupo de Estado Sólido, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No 52-21, Medellín (Colombia); Barrero, C. A. [Grupo de Estado Sólido, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No 52-21, Medellín (Colombia)

    2014-05-07

    This work reports detailed investigations of a series of ∼2.6 nm sized, Sn{sub 1−x}Fe{sub x}O{sub 2} crystallites with x = 0–0.10 using Mossbauer spectroscopy, x-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance spectroscopy (EPR), and magnetometry to determine the oxidation state of Fe dopants and their role in the observed magnetic properties. The magnetic moment per Fe ion μ was the largest ∼6.48 × 10{sup −3} μ{sub B} for the sample with the lowest (0.001%) Fe doping, and it showed a rapid downward trend with increasing Fe doping. Majority of the Fe ions are in 3+ oxidation state occupying octahedral sites. Another significant fraction of Fe dopant ions is in 4+ oxidation state and a still smaller fraction might be existing as Fe{sup 2+} ions, both occupying distorted sites, presumably in the surface regions of the nanocrystals, near oxygen vacancies. These studies also suggest that the observed magnetism is not due to exchange coupling between Fe{sup 3+} spins. A more probable role for the multi-valent Fe ions may be to act as charge reservoirs, leading to charge transfer ferromagnetism.

  14. The Effect of Dopant-Free Hole-Transport Polymers on Charge Generation and Recombination in Cesium-Bismuth-Iodide Solar Cells.

    Science.gov (United States)

    Zhu, Huimin; Johansson, Malin B; Johansson, Erik M J

    2018-03-22

    The photovoltaic characteristics of CsBi 3 I 10 -based solar cells with three dopant-free hole-conducting polymers are investigated. The effect on charge generation and charge recombination in the solar cells using the different polymers is studied and the results indicate that the choice of polymer strongly affects the device properties. Interestingly, for the solar cell with poly[[2,3-bis(3-octyloxyphenyl)-5,8-quinoxalinediyl]-2,5-thiophenediyl] (TQ1), the photon-to-current conversion spectrum is highly improved in the red wavelength region, suggesting that the polymer also contributes to the photocurrent generation in this case. This report provides a new direction for further optimization of Bi-halide solar cells by using dopant-free hole-transporting polymers and shows that the energy levels and the interaction between the Bi-halide and the conducting polymers are very important for solar cell performance. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Improved dehydrogenation of TiF{sub 3}-doped NaAIH{sub 4} using mesoporous SiO{sub 2} as a co-dopant

    Energy Technology Data Exchange (ETDEWEB)

    Li, Y.; Zheng, S.; Fang, F.; Song, Y.; Sun, D. [Fudan Univ., Shanghai (China). Dept. of Materials Science

    2010-07-01

    This paper examined the improved dehydrogenation of titanium fluoride (TiF{sub 3})-doped sodium aluminum hydride (NaAIH{sub 4}) using mesoporous silicon dioxide (SiO{sub 2}) as a Co-dopant. The study revealed that the amount of hydrogen evolved was 3.8 wt. per cent for the pristine NaAlH{sub 4} and approximately 4.2 wt. per cent for the TiF{sub 3}-doped NaAlH{sub 4}. It increased to 4.9-5.0 wt. per cent once the samples were doped with mesoporous SiO{sub 2}. A favorable synergistic effect on the NaAlH{sub 4} dehydrogenation was achieved as mesoporous SiO{sub 2} was added as a co-dopant along with TiF{sub 3} which was associated with the nanosized pores and high specific surface area of mesoporous SiO{sub 2}. The catalytic mechanism of mesoporous SiO{sub 2} was more physical than chemical relative to the catalytic mechanism of TiF{sub 3}. 1 fig.

  16. Observation of dopant-profile independent electron transport in sub-monolayer TiO{sub x} stacked ZnO thin films grown by atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Saha, D., E-mail: sahaphys@gmail.com, E-mail: pmisra@rrcat.gov.in; Misra, P., E-mail: sahaphys@gmail.com, E-mail: pmisra@rrcat.gov.in; Joshi, M. P.; Kukreja, L. M. [Laser Materials Processing Division, Raja Ramanna Centre for Advanced Technology, Indore 452 013 (India); Das, Gangadhar [Indus Synchrotrons Utilisation Division, Raja Ramanna Centre for Advanced Technology, Indore 452 013 (India)

    2016-01-18

    Dopant-profile independent electron transport has been observed through a combined study of temperature dependent electrical resistivity and magnetoresistance measurements on a series of Ti incorporated ZnO thin films with varying degree of static-disorder. These films were grown by atomic layer deposition through in-situ vertical stacking of multiple sub-monolayers of TiO{sub x} in ZnO. Upon decreasing ZnO spacer layer thickness, electron transport smoothly evolved from a good metallic to an incipient non-metallic regime due to the intricate interplay of screening of spatial potential fluctuations and strength of static-disorder in the films. Temperature dependent phase-coherence length as extracted from the magnetotransport measurement revealed insignificant role of inter sub-monolayer scattering as an additional channel for electron dephasing, indicating that films were homogeneously disordered three-dimensional electronic systems irrespective of their dopant-profiles. Results of this study are worthy enough for both fundamental physics perspective and efficient applications of multi-stacked ZnO/TiO{sub x} structures in the emerging field of transparent oxide electronics.

  17. Dopant activation in Sn-doped Ga{sub 2}O{sub 3} investigated by X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Siah, S. C., E-mail: sincheng@alum.mit.edu; Brandt, R. E.; Jaramillo, R.; Buonassisi, T., E-mail: buonassisi@mit.edu [Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Lim, K. [SLAC National Accelerator Laboratory, Stanford Synchrotron Radiation Lightsource, Menlo Park, California 94025 (United States); Department of Materials Science and Engineering, Stanford University, Stanford, California 94305 (United States); Schelhas, L. T.; Toney, M. F. [SLAC National Accelerator Laboratory, Stanford Synchrotron Radiation Lightsource, Menlo Park, California 94025 (United States); Heinemann, M. D. [PVcomB, Helmholtz-Zentrum Berlin, 12489 Berlin (Germany); Chua, D.; Gordon, R. G. [Department of Chemistry Materials Science and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 (United States); Wright, J.; Segre, C. U. [Physics Department and CSRRI, Illinois Institute of Technology, Chicago, Illinois 60616 (United States); Perkins, J. D. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)

    2015-12-21

    Doping activity in both beta-phase (β-) and amorphous (a-) Sn-doped gallium oxide (Ga{sub 2}O{sub 3}:Sn) is investigated by X-ray absorption spectroscopy (XAS). A single crystal of β-Ga{sub 2}O{sub 3}:Sn grown using edge-defined film-fed growth at 1725 °C is compared with amorphous Ga{sub 2}O{sub 3}:Sn films deposited at low temperature (<300 °C). Our XAS analyses indicate that activated Sn dopant atoms in conductive single crystal β-Ga{sub 2}O{sub 3}:Sn are present as Sn{sup 4+}, preferentially substituting for Ga at the octahedral site, as predicted by theoretical calculations. In contrast, inactive Sn atoms in resistive a-Ga{sub 2}O{sub 3}:Sn are present in either +2 or +4 charge states depending on growth conditions. These observations suggest the importance of growing Ga{sub 2}O{sub 3}:Sn at high temperature to obtain a crystalline phase and controlling the oxidation state of Sn during growth to achieve dopant activation.

  18. The influence of a Cr-dopant on the properties of α-FeOOH particles precipitated in highly alkaline media

    International Nuclear Information System (INIS)

    Krehula, Stjepko; Music, Svetozar

    2009-01-01

    The effects of a Cr-dopant on the precipitation of acicular α-FeOOH particles, the formation of solid solutions, particle size and shape were investigated using X-ray powder diffraction (XRD), Moessbauer and Fourier transform infrared (FT-IR) spectroscopies and field emission scanning electron microscopy (FE-SEM). Acicular and monodisperse α-FeOOH particles were precipitated at a very high pH by heating the suspension obtained by adding a tetramethylammonium hydroxide solution to an aqueous solution of FeCl 3 . The influence of the Cr-dopant was investigated by addition of various amounts of Cr 3+ ions to the initial FeCl 3 solution, where r = 100[Cr]/([Cr] + [Fe]) stands for the added amount of Cr. XRD analysis of the obtained powders (with r values from 0 to 23.08) showed only the presence of the diffraction lines characteristic for α-FeOOH. Moessbauer spectroscopy showed a decrease in hyperfine magnetic field of α-FeOOH with an increase in Cr addition which indicates Cr incorporation into the α-FeOOH structure. The OH bending bands in the FT-IR spectra showed only a slight change in position with an increase in r, but the considerable increase in the lattice band wave number indicated a decrease in thickness of the lath-like α-FeOOH particles. This conclusion was confirmed by FE-SEM observations

  19. Improved Performance and Reproducibility of Perovskite Solar Cells by Well-Soluble Tris(pentafluorophenyl)borane as a p-Type Dopant.

    Science.gov (United States)

    Ye, Tengling; Wang, Junhai; Chen, Wenbo; Yang, Yulin; He, Dongqing

    2017-05-31

    In this work, well-soluble tris(pentafluorophenyl)borane (BCF) is introduced for the first time into 2,2',7,7'-tetrakis(N,N'-di-p-methoxyphenylamine)-9,9'-spirobifluorene (spiro-OMeTAD) as a p-dopant. The conductivity of spiro-OMeTAD films is dramatically enhanced. When the BCF-doped spiro-OMeTAD film is used as a hole-transport layer (HTL) in perovskite solar cells (PSCs), nearly double increase in power conversion efficiency (PCE) is obtained compared to that of the PSCs based on a pristine spiro-OMeTAD HTL. By the introduction of lithium bis(trifluoromethanesulfonyl)imide and 4-tert-butylpyridine into the BCF-doped spiro-OMeTAD film, the conductivity of spiro-OMeTAD film can be further enhanced, and an optimum PCE of 14.65% is obtained. In addition, the average efficiency of the device and the reproducibility of BCF-based PSCs are better than those of FK209-based PSCs. The working mechanism of the BCF doping effect on spiro-OMeTAD is studied in detail. The strong electron-accepting ability, excellent solubility in common organic solvents, and the low cost make BCF a very attractive p-type dopant for spiro-OMeTAD.

  20. Electronic state and photoionization cross section of a single dopant in GaN/InGaN core/shell quantum dot under magnetic field and hydrostatic pressure

    Science.gov (United States)

    Aouami, A. El; Feddi, E.; Talbi, A.; Dujardin, F.; Duque, C. A.

    2018-06-01

    In this study, we have investigated the simultaneous influence of magnetic field combined to the hydrostatic pressure and the geometrical confinement on the behavior of a single dopant confined in GaN/InGaN core/shell quantum dots. Within the scheme of the effective-mass approximation, the eigenvalues equation has solved by using the variational method with one-parameter trial wavefunctions. Variation of the ground state binding energy of the single dopant is determined according to the magnetic field and hydrostatic pressure for several dimensions of the heterostructure. The results show that the binding energy is strongly dependent on the core/shell sizes, the magnetic field, and the hydrostatic pressure. The analysis of the photoionization cross section, corresponding to optical transitions associated to the first donor energy level and the conduction band, shows clearly that the reduction of the dot dimensions and/or the simultaneous influences of applied magnetic field, combined to the hydrostatic pressure strength, cause a shift in resonance peaks towards the higher energies with important variations in the magnitude of the resonant peaks.

  1. Time-Dependent Density Functional Theory Analysis of Triphenylamine-Functionalized Graphene Doped with Transition Metals for Photocatalytic Hydrogen Production.

    Science.gov (United States)

    Mota, Elder A V; Neto, Abel F G; Marques, Francisco C; Mota, Gunar V S; Martins, Marcelo G; Costa, Fabio L P; Borges, Rosivaldo S; Neto, Antonio M J C

    2018-07-01

    The electronic structures and optical properties of triphenylamine-functionalized graphene (G-TPA) doped with transition metals, using water as a solvent, were theoretically investigated to verify the efficiency of photocatalytic hydrogen production with the use of transition metals. This study was performed by Density Functional Theory and Time-dependent Density Functional Theory through Gaussian 09W software, adopting the B3LYP functional for all structures. The 6-31g(d) basis set was used for H, C and N atoms, and the LANL2DZ basis set for transition metals using the Effective Core Potentials method. Two approaches were adopted: (1) using single metallic dopants (Ni, Pd, Fe, Os and Pt) and (2) using combinations of Ni with the other dopants (NiPd, NiPt, NiFe and NiOs). The DOS spectra reveal an increase of accessible states in the valence shell, in addition to a gap decrease for all dopants. This doping also increases the absorption in the visible region of solar radiation where sunlight is most intense (400 nm to 700 nm), with additional absorption peaks. The results lead us to propose the G-TPA structures doped with Ni, Pd, Pt, NiPt or NiPd to be novel catalysts for the conversion of solar energy for photocatalytic hydrogen production, since they improve the absorption of solar energy in the range of interest for solar radiation; and act as reaction centers, reducing the required overpotential for hydrogen production from water.

  2. Improving solid-state hydriding and dehydriding properties of the LiBH{sub 4} plus MgH{sub 2} system with the addition of Mn and V dopants

    Energy Technology Data Exchange (ETDEWEB)

    Crosby, Kyle; Wan, Xuefei; Shaw, Leon L. [Department of Chemical, Materials and Biomolecular Engineering, University of Connecticut, 97 North Eagleville Road, U-3136, Storrs, CT 06269 (United States)

    2010-11-01

    The hydriding process of the 2LiH + MgB{sub 2} mixture is controlled by outward diffusion of Mg and inward diffusion of Li and H within MgB{sub 2} crystals to form LiBH{sub 4}. This study explores the feasibility of using transition metal dopants, such as Mn and V, to enhance the diffusion rate and thus the hydriding kinetics. It is found that Mn can indeed enhance the hydriding kinetics of the 2LiH + MgB{sub 2} mixture, while V does not. The major factor in enhancing the diffusion rate and thus the hydriding kinetics is related to the dopant's ability to induce the lattice distortion of MgB{sub 2} crystals. This study demonstrates that the kinetics of the diffusion controlled solid-state hydriding process can be improved by doping if the dopant is properly selected. (author)

  3. Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3.

    Science.gov (United States)

    Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J L; Zhong, Ruidan; Schneeloch, John A; Liu, Tiansheng; Valla, Tonica; Tranquada, John M; Gu, Genda; Davis, J C Séamus

    2015-02-03

    To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a "Dirac-mass gap" in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship [Formula: see text] is confirmed throughout and exhibits an electron-dopant interaction energy J* = 145 meV·nm(2). These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.

  4. Diffusion des dopants dans les dispositifs de la microélectronique : codiffusion de l'arsenic et du phosphore dans le silicium, étude unidimensionnelle et bidimensionnelle.

    OpenAIRE

    Rodriguez , Nicolas

    2008-01-01

    Si dopant diffusion in microelectronics devices has been studied in 1 and 2 dimensions. The codiffusion effects of As and P have been characterized for “drains” and “sources” fabrication of the latest transistor technology (90 nm). If these 2 dopants are concurrently located in Si, we observe an acceleration of As and P diffusion. This effect mainly depends on the As dose, and seems to be due to the modification of AsnV cluster characteristics and to an excess of vacancies in the coexistence ...

  5. The Dopants and Doping Level Dependence of the Structure and Magnetic Properties of the Eu (BA1-xLRx)2Cu3O7+δ

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Yu [Iowa State Univ., Ames, IA (United States)

    2002-12-31

    Eu(Ba1-xLRx)2Cu3O7+δ were systematically studied in order to understand how the valence of the rear earth elements, ionic sizes and magnetic moment affect the crystal structure and magnetic and electrical properties. Differential thermal analyses were carried out to check the phase purity, X-ray data were least-squares fitted to determine the lattice parameters, and DC-SQUID magnetometry was used to characterize the superconducting properties. These results showed that the crystallography is consistent with other EuLR123ss series, LR = La, Pr, Eu. The lattice parameters vary with the ionic radii of the rare earth ions. Unlike the uniform change in lattice parameter, the superconducting transition did not vary systematically with the ionic size of the dopants. Although the general trend was for Tc to decrease with decreasing ionic size of the dopant, for the same doping level, Pr was anomalous, depressing Tc faster. Although the exact mechanism is not clear, this result is consistent with the depression of Tc for Pr substitution for the rare earth in R123. The critical current Jc was determined using the Bean model from magnetization versus field measurements as a function of temperature and field. The effect of the dopants on Jc with the increasing of temperature or applied field was determined. For T < 77 K and small values of x, the value of Jc was increased over that of the x = 0 sample. In addition, the smaller the substituting atom, the higher the Jc becomes. For instance, at x = 0.025, Eu123 < EuLa.025 < EuPr.025 < EuNd.025 < EuEu.025. The enhancement of Jc disappears for x > 0.05 and T > 0.5Tc.

  6. Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

    KAUST Repository

    Mansour, Ahmed; Said, Marcel M.; Dey, Sukumar; Hu, Hanlin; Zhang, Siyuan; Munir, Rahim; Zhang, Yadong; Moudgil, Karttikay; Barlow, Stephen; Marder, Seth R.; Amassian, Aram

    2017-01-01

    Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

  7. Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

    KAUST Repository

    Mansour, Ahmed

    2017-01-03

    Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

  8. sp-d Exchange Interactions in Wave Function Engineered Colloidal CdSe/Mn:CdS Hetero-Nanoplatelets.

    Science.gov (United States)

    Muckel, Franziska; Delikanli, Savas; Hernández-Martínez, Pedro Ludwig; Priesner, Tamara; Lorenz, Severin; Ackermann, Julia; Sharma, Manoj; Demir, Hilmi Volkan; Bacher, Gerd

    2018-03-14

    In two-dimensional (2D) colloidal semiconductor nanoplatelets, which are atomically flat nanocrystals, the precise control of thickness and composition on the atomic scale allows for the synthesis of heterostructures with well-defined electron and hole wave function distributions. Introducing transition metal dopants with a monolayer precision enables tailored magnetic exchange interactions between dopants and band states. Here, we use the absorption based technique of magnetic circular dichroism (MCD) to directly prove the exchange coupling of magnetic dopants with the band charge carriers in hetero-nanoplatelets with CdSe core and manganese-doped CdS shell (CdSe/Mn:CdS). We show that the strength of both the electron as well as the hole exchange interactions with the dopants can be tuned by varying the nanoplatelets architecture with monolayer accuracy. As MCD is highly sensitive for excitonic resonances, excited level spectroscopy allows us to resolve and identify, in combination with wave function calculations, several excited state transitions including spin-orbit split-off excitonic contributions. Thus, our study not only demonstrates the possibility to expand the extraordinary physical properties of colloidal nanoplatelets toward magneto-optical functionality by transition metal doping but also provides an insight into the excited state electronic structure in this novel two-dimensional material.

  9. Effect of La and W dopants on dielectric and ferroelectric properties of PZT thin films prepared by sol-gel process

    International Nuclear Information System (INIS)

    Xiao, Mi; Zhang, Zebin; Zhang, Weikang; Zhang, Ping

    2018-01-01

    La or W-doped lead zirconate titanate thin films (PLZT or PZTW) were prepared on platinized silicon substrates by sol-gel process. The effects of La or W dopant on the phase development, microstructure, dielectric and ferroelectric characteristics of films were studied. For PLZT films, the optimum doping concentration was found to be 2 mol%. While for PZTW films, the dielectric and ferroelectric properties were found to be improved as the doping concentration increased. The fatigue properties of PLZT and PZTW thin films were also investigated, the results showed that A- or B-site donor doping could improve the fatigue properties of PZT thin films. The theory of oxygen vacancy was used to explain the performance improvement caused by donor doping. (orig.)

  10. Comparative study of effects of Mo and W dopants on the ferroelectric property of Pb(Zr0.3Ti0.7) thin films

    International Nuclear Information System (INIS)

    Zhang Zhen; Wang Shijie; Lu Li; Shu Chang; Song Wendong; Wu Ping

    2008-01-01

    Pb(Zr 0.3 Ti 0.7 )O 3 thin films, respectively, doped with 1 mol% W and 1 mol% Mo have been deposited on the LaNiO 3 bottom electrodes using pulse laser deposition. The x-ray diffraction analyses revealed that both dopants induced (1 1 0) orientation of the perovskite structures. Compared with the undoped PZT films, the doped PZT films showed smoother and denser surfaces. The XPS measurements indicated that W possessed a valence state of +6 in the PZTW films, but Mo showed mixed valence states of +4 and +6. The hysteresis loops and fatigue results of the undoped, the W-doped (PZTW) and the Mo-doped PZT (PZTM) films were obtained. While both the two doped films revealed better fatigue behaviour than undoped PZT, the PZTW film had a slow fatigue rate in comparison with the PZTM film, which is consistent with our previous theoretical predictions

  11. Effect of La and W dopants on dielectric and ferroelectric properties of PZT thin films prepared by sol-gel process

    Science.gov (United States)

    Xiao, Mi; Zhang, Zebin; Zhang, Weikang; Zhang, Ping

    2018-01-01

    La or W-doped lead zirconate titanate thin films (PLZT or PZTW) were prepared on platinized silicon substrates by sol-gel process. The effects of La or W dopant on the phase development, microstructure, dielectric and ferroelectric characteristics of films were studied. For PLZT films, the optimum doping concentration was found to be 2 mol%. While for PZTW films, the dielectric and ferroelectric properties were found to be improved as the doping concentration increased. The fatigue properties of PLZT and PZTW thin films were also investigated, the results showed that A- or B-site donor doping could improve the fatigue properties of PZT thin films. The theory of oxygen vacancy was used to explain the performance improvement caused by donor doping.

  12. Determination of gold and cobalt dopants in advanced materials based on tin oxide by slurry sampling high-resolution continuum source graphite furnace atomic absorption spectrometry

    Science.gov (United States)

    Filatova, Daria G.; Eskina, Vasilina V.; Baranovskaya, Vasilisa B.; Vladimirova, Svetlana A.; Gaskov, Alexander M.; Rumyantseva, Marina N.; Karpov, Yuri A.

    2018-02-01

    A novel approach is developed for the determination of Co and Au dopants in advanced materials based on tin oxide using high-resolution continuum source graphite furnace atomic absorption spectrometry (HR CS GFAAS) with direct slurry sampling. Sodium carboxylmethylcellulose (Na-CMC) is an effective stabilizer for diluted suspensions. Use Na-CMC allows to transfer the analytes into graphite furnace completely and reproducibly. The relative standard deviation obtained by HR CS GFAAS was not higher than 4%. Accuracy was proven by means inductively coupled plasma mass spectrometry (ICP-MS) in solutions after decomposition as a comparative technique. To determine Au and Co in the volume of SnO2, the acid decomposition conditions (HCl, HF) of the samples were suggested by means of an autoclave in a microwave oven.

  13. Linear and nonlinear magneto-optical properties of an off-center single dopant in a spherical core/shell quantum dot

    Science.gov (United States)

    Feddi, E.; Talbi, A.; Mora-Ramos, M. E.; El Haouari, M.; Dujardin, F.; Duque, C. A.

    2017-11-01

    Using the effective mass approximation and a variational procedure, we have investigated the nonlinear optical absorption coefficient and the relative refractive index changes associated to a single dopant confined in core/shell quantum dots considering the influences of the core/shell dimensions, externally applied magnetic field, and dielectric mismatch. The results show that the optical absorption coefficient and the coefficients of relative refractive index change depend strongly on the core/shell sizes and they are blue shifted when the spatial confinement increases so this effect is magnified by higher structural dimensions. Additionally, it is obtained that both studied optical properties are sensitive to the dielectric environment in such a way that their amplitudes are very affected by the local field corrections.

  14. Location of rare-earth dopants on LiCAF and LiSAF laser hosts via XRD, EXAFS and computer modeling technique

    International Nuclear Information System (INIS)

    Valerio, Mario Ernesto Giroldo; Amaral, Jomar Batista de; Baldochi, Sonia Licia Vera; Mazzocchi, L.; Sasaki, Jose Marcos; Jackson, Robert A.

    2004-01-01

    Full text: Cr-doped LiCaAlF 6 (LiCAF) and LiSrAlF 6 (LiSAF) were used as laser operating in the near infrared region. Ce-doped LiCAF and LiSAF have been reported as leading candidates for tunable all-solid-state lasers in the UV region. Spectroscopic properties of LiCaAlF 6 : Nd suggest that this crystal can be used as selective optical filter and refractive element for 157 nm photolithography. The question of whether the RE dopant will prefer the Li + , the M 2+ site or the Al 3+ site is not yet known. Nevertheless most of the optical properties of these hosts including their laser action depend on the local symmetry, charge compensation mechanism and possible deformation of the lattice. In the present work, Powder X-ray Diffraction (XRD), X-ray Absorption Spectroscopy (XAS), Spectro fluorimetry, combined with computer modeling, were used to study the local structure around the dopant and determine the site occupied by them and also the distance and nature of the co-ordinating atoms. The compounds were prepared from commercially available CaF2 and SrF2 powders of high purity; LiF previously purified by the zone melting method, and AlF3 and RE dopants obtained from the hydro fluorination of commercial Al 2 O 3 . The synthesis of 2 mol % RE doped LiCAF and LiSAF samples were performed in a platinum reactor. The compositions were 2 mol % LiF and AlF3 enriched to compensate for their high vaporization. Powder XRD measurements were performed at room temperature in a Rigaku DMAX diffractometer in step scan mode using Cu K radiation. The Rietveld method (DBWS-9807a software) was employed in the analysis of the patterns. It was found that in the doped samples the concentration of the LiCAF or LiSAF phases are 84-95% and a small amount of AlF 3 and α - Li 3 AlF 6 were formed. The XAS experiments were performed on and above the L III absorption edge of the Er, Ho and Nd ions in fluorescence and transmission mode at room temperature in the XAS station at the LNLS, Campinas

  15. Contribuição ao desenvolvimento de tecnologia de fabricação de celulas solares utilizando "dopant papers"

    OpenAIRE

    Alexandre Guass Junior

    1995-01-01

    Resumo: Este trabalho teve como objetivo o desenvolvimento de um conjunto de processos de baixo custo para fabricação de células solares. As células solares foram fabricadas utilizando lâminas de silício monocristalino, com orientação cristalografica e resistividade típica de 4.1 à 9.0 ohm.cm, tipo p dopadas com boro. Ajunção n-p foi obtida por difusão usando papéis dopantes. Estes papéis são de dois tipos, os que possuem boro e os com fósforo.A montagem de um conjunto de lâminas de s...

  16. Dual-Material Gate Approach to Suppression of Random-Dopant-Induced Characteristic Fluctuation in 16 nm Metal-Oxide-Semiconductor Field-Effect-Transistor Devices

    Science.gov (United States)

    Li, Yiming; Lee, Kuo-Fu; Yiu, Chun-Yen; Chiu, Yung-Yueh; Chang, Ru-Wei

    2011-04-01

    In this work, we explore for the first time dual-material gate (DMG) and inverse DMG devices for suppressing the random-dopant (RD)-induced characteristic fluctuation in 16 nm metal-oxide-semiconductor field-effect-transistor (MOSFET) devices. The physical mechanism of suppressing the characteristic fluctuation of DMG devices is observed and discussed. The achieved improvement in suppressing the RD-induced threshold voltage, on-state current, and off-state current fluctuations are 28, 12.3, and 59%, respectively. To further suppress the fluctuations, an approach that combines the DMG method and channel-doping-profile engineering is also advanced and explored. The results of our study show that among the suppression techniques, the use of the DMG device with an inverse lateral asymmetric channel-doping-profile has good immunity to fluctuation.

  17. SiO2 and ZnO dopants in three-dimensionally printed tricalcium phosphate bone tissue engineering scaffolds enhance osteogenesis and angiogenesis in vivo.

    Science.gov (United States)

    Fielding, Gary; Bose, Susmita

    2013-11-01

    Calcium phosphate (CaP) scaffolds with three-dimensionally-interconnected pores play an important role in mechanical interlocking and biological fixation in bone implant applications. CaPs alone, however, are only osteoconductive (able to guide bone growth). Much attention has been given to the incorporation of biologics and pharmacologics to add osteoinductive (able to cause new bone growth) properties to CaP materials. Because biologics and pharmacologics are generally delicate compounds and also subject to increased regulatory scrutiny, there is a need to investigate alternative methods to introduce osteoinductivity to CaP materials. In this study silica (SiO2) and zinc oxide (ZnO) have been incorporated into three-dimensional printed β-tricalcium phosphate (β-TCP) scaffolds to investigate their potential to trigger osteoinduction in vivo. Silicon and zinc are trace elements that are common in bone and have also been shown to have many beneficial properties, from increased bone regeneration to angiogenesis. Implants were placed in bicortical femur defects introduced to a murine model for up to 16 weeks. The addition of dopants into TCP increased the capacity for new early bone formation by modulating collagen I production and osteocalcin production. Neovascularization was found to be up to three times more than the pure TCP control group. The findings from this study indicate that the combination of SiO2 and ZnO dopants in TCP may be a viable alternative to introducing osteoinductive properties to CaPs. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  18. Electron-beam-induced reactivation of Si dopants in hydrogenated two-dimensional AlGaAs heterostructures: a possible new route for III-V nanostructure fabrication

    International Nuclear Information System (INIS)

    Kurowski, Ludovic; Bernard, Dorothee; Constant, Eugene; Decoster, Didier

    2004-01-01

    Hydrogen incorporation in n-type Si-doped GaAs epilayers is a well-known process which leads to the neutralization of the active Si impurities with the formation of SiH complexes. Recently, we have shown that SiH complex dissociation and, consequently, Si-dopant reactivation could occur when the epilayers are exposed to an electron beam. Two epilayers have been studied: the first is a 0.35 μm thick hydrogenated Si-doped GaAs epilayer and the second is Si planar-doped AlGaAs/GaAs/InGaAs heterostructures. Firstly, Hall effect measurements have been carried out on the epilayers exposed, after RF hydrogen plasma exposition, to increasing electron doses with different injection energies. For the 2D heterostructures, we have observed that the free carrier density N s does not vary significantly for weak electron densities. This reactivation presents a threshold value, contrary to the 0.35 μm epilayer in which N s varies quite linearly. It will be shown that such phenomena might be attributed to the filling of surface states as the dopants are progressively reactivated. Then, using a high spatial resolution electron beam lithography system, nanometric conductive patterns have been fabricated starting from hydrogenated epilayers. Electric measurements have been performed and the results obtained show that about 15 nm spatial resolution could be expected. In conclusion, taking into account this spatial resolution, the high spatial contrast of conductivity which could be expected due to the existence of an electron dose threshold, and the high mobility of the AlGaAs/GaAs/InGaAs heterostructure, the effects described in this paper could open a new way for the fabrication of III-V 1D or 2D mesoscopic structures for electronic or optoelectronic applications

  19. Effect of Er{sub 2}O{sub 3} dopant on electrical and optical properties of potassium sodium niobate silicate glass-ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Yongsiri, Ploypailin [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Sirisoonthorn, Somnuk [National Metal and Materials Technology Center, Pathumthani 12120 (Thailand); Pengpat, Kamonpan, E-mail: kamonpan.p@cmu.ac.th [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2015-09-15

    Highlights: • The KNN–SiO{sub 2} doped Er{sub 2}O{sub 3} glass-ceramics was prepared by incorporation method. • High dielectric constant (458.41 at 100 kHz) and low loss (0.0005) could be obtained. • TEM and SEM confirmed the existence of KNN crystals embedded in glass matrix. • The Er{sub 2}O{sub 3} dopant causes insignificant effect on modifying E{sub g} value. - Abstract: In this study, transparent glass-ceramics from potassium sodium niobate (KNN)-silicate glass system doped with erbium oxide (Er{sub 2}O{sub 3}) were successfully prepared by incorporation method. KNN was added in glass batches as heterogeneous nucleating agent. The KNN powder was mixed with SiO{sub 2} and Er{sub 2}O{sub 3} dopant with KNN and Er{sub 2}O{sub 3} content varied between 70–80 and 0.5–1.0 mol%, respectively. Each batch was subsequently melted at 1300 °C for 15 min in a platinum crucible using an electric furnace. The quenched glasses were then subjected to heat treatment at various temperatures for 4 h. XRD results showed that the prepared glass ceramics contained crystals of KNN solid solution. In contrary, dielectric constant (ϵ{sub r}) and dielectric loss (tan δ) were found to increase with increasing heat treatment temperature. Additionally, optical properties such as absorbance and energy band gap have been investigated.

  20. Effect of Mg{sup 2+} and Ti{sup 4+} dopants on the structural, magnetic and high-frequency ferromagnetic properties of barium hexaferrite

    Energy Technology Data Exchange (ETDEWEB)

    Shams, Mohammad H. [Department of Physics, University of Isfahan, Hezar Jarib Street, Isfahan 81746-73441 (Iran, Islamic Republic of); Rozatian, Amir S.H., E-mail: a.s.h.rozatian@phys.ui.ac.ir [Department of Physics, University of Isfahan, Hezar Jarib Street, Isfahan 81746-73441 (Iran, Islamic Republic of); Yousefi, Mohammad H. [Department of Physics, University of Isfahan, Hezar Jarib Street, Isfahan 81746-73441 (Iran, Islamic Republic of); Valíček, Jan [Institute of Physics, Faculty of Mining and Geology, VŠB – Technical University of Ostrava, 17. Listopadu 15, 70833 Ostrava-Poruba (Czech Republic); Šepelák, Vladimir [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen (Germany); Slovak Academy of Sciences, Watsonova 45, 04001 Košice (Slovakia)

    2016-02-01

    The doped barium hexaferrite, BaFe{sub 12−x}(Mg{sub 0.5}Ti{sub 0.5}){sub x}O{sub 19} with 1≤x≤5, is synthesized by a solid state ceramic method. Its crystalline structure, morphology, as well as static and dynamic magnetic properties are investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), vibrating sample magnetometry, and vector network analysis, respectively. The cation distribution of Mg{sup 2+} and Ti{sup 4+} in the hexagonal structure of BaFe{sub 12−x}(Mg{sub 0.5}Ti{sub 0.5}){sub x}O{sub 19} is investigated by {sup 57}Fe Mössbauer spectroscopy. The effect of Mg{sup 2+} and Ti{sup 4+} dopants on static and high-frequency magnetic properties of the ferrite is studied. - Highlights: • The BaFe{sub 12−x}(MgTi){sub 0.5x}O{sub 19} (x =1– 5) are synthesized by a solid state reaction method. • The Mg{sup 2+} and Ti{sup 4+} dopants take positions 12k for x=1 and 4f{sub 1} and 4f{sub 2} for x=5. • The coercivity and magnetization are decreased with an increase in Mg–Ti content. • The ferromagnetic resonance frequency is decreased with increase of x. • The FMR is shifted to lower frequencies due to the reduction of the anisotropy field.

  1. In vitro bioactivity behavior of modified multicomponent borate glasses containing dopants of Ag2O, CuO, CeO2 or V2O5

    Science.gov (United States)

    Marzouk, M. A.; ElBatal, F. H.; Ghoneim, N. A.

    2018-02-01

    Some multi-component borate glasses containing dopants of Ag2O, CuO, CeO2 or V2O5 were prepared. Multi-characterization techniques were carried out to investigate their bioactivity, corrosion weight loss after immersion in phosphate solution. Controlled thermal heat-treatment by two-step technique was done to convert the prepared glasses to their corresponding glass-ceramic derivatives. X-ray diffraction analysis was performed to identify the crystalline phases formed by thermal treatment. Infrared absorption of glasses and glass-ceramics reveal vibrational bands due to combined main triangular and tetrahedral borate groups in their specific wavenumbers besides some sharing of phosphate group. After immersion in the phosphate solution, two extra characteristic peaks are generated indicating the bioactivity of the studied glasses and glass-ceramics through the formation of calcium phosphate (hydroxyapatite). X-ray diffraction data indicate the formation of crystalline phases which are variable with the introduced dopants. The main crystalline phase identified is calcium borate together with some other phases some of which contain phosphate ions. These data indicate that the presence of CaO and P2O5 initiates phase separation and subsequent crystallization of the parent and doped glasses. Weight loss data indicate that glass-ceramics are obviously durable than the parent glasses. SEM micrographs of glass-ceramics before immersion show multiconstituent crystalline phases due to the basic chemical composition consisting of multicomponent mixed alkali and alkaline earth oxides beside P2O5 and with the main B2O3 constituent. After immersion, the crystalline phases are identified to be more distinct in different shapes because of the multi-composition involved.

  2. Impact of dopant metal ions in the framework of parent zirconia on the n-heptane isomerization activity of the Pt/WO3-ZrO2 catalysts

    Czech Academy of Sciences Publication Activity Database

    Kaucký, Dalibor; Sobalík, Zdeněk; Hidalgo, J. M.; Černý, R.; Bortnovský, O.

    2016-01-01

    Roč. 420, AUG 2016 (2016), s. 107-114 ISSN 0304-5102 R&D Projects: GA MPO FR-TI3/316 Institutional support: RVO:61388955 Keywords : zirconia * tungstated zirconia * dopants Subject RIV: CF - Physical ; Theoretical Chemistry

  3. Density functional theory calculation of monolayer WTe2 transition metal dichalcogenides doped with H, Li and Be

    Science.gov (United States)

    Igumbor, E.; Mapasha, R. E.; Meyer, W. E.

    2018-04-01

    Results based on density functional theory modelling of electronic and structural properties of single layer WTe2 dichalcogenides doped with X (X=H, Li and Be) were presented. The generalized gradient approximation functional of Perdew, Burke, and Ernzerhof exchange correlation was used for all calculations. Formation energies of X dopant substituted for W (XW) were obtained to be between 3.59 and 2.61 eV. The LiW defect with energy of formation of 2.14 eV was energetically the most favourable. For all dopants considered, while the HW induced no magnetic moment, the LiW and BeW induced magnetic moments of 3.44 and 0.05 μB, respectively. The band gap of the WTe2 as a result of the dopants was populated with several orbital ground states, and thus reduced within a few eV. While all XW behave as p - type dopant, the LiW defect posses half metallic character.

  4. Defect and dopant depth profiles in boron-implanted silicon studied with channeling and nuclear reaction analysis

    NARCIS (Netherlands)

    Vos, M.; Boerma, D.O.; Smulders, P.J.M.; Oosterhoff, S.

    1986-01-01

    Single crystals of silicon were implanted at RT with 1 MeV boron ions to a dose of 1 × 1015 ions/cm2. The depth profile of the boron was measured using the 2060-keV resonance of the 11B(α, n)14N nuclear reaction. The distribution of the lattice disorder as a function of depth was determined from

  5. Rhodium(I) complexes of αα-keto-stabilised 1,2-bis ...

    Indian Academy of Sciences (India)

    Unknown

    spectroscopic and X-ray structural methods. The dppe-yl behaves as an ambidentate ligand; it functions as a monodentate P-donor ligand with a dangling ylidic carbon in the neutral chloro complex, [(COD)Rh(Cl)(dppe-yl)] (1), whereas replacement of the chloride by a non-coordinating counter anion results in the formation ...

  6. Carbon as amorphous shell and interstitial dopant in mesoporous rutile TiO2: Bio-template assisted sol-gel synthesis and photocatalytic activity

    International Nuclear Information System (INIS)

    Mohamed Azuwa Mohamad; Wan Norharyati Wan Salleh; Juhana Jaafar; Mohamad Saufi Rosmi; Zul Adlan Mohd Hir; Muhazri Abd Mutalib; Ahmad Fauzi Ismail; Tanemura, Masaki

    2017-01-01

    Highlights: • RCM as bio-template and in-situ carbon shell and interstitial carbon doping. • Photo-sensitizers by carbonaceous layer grafted onto the surface of TiO 2 . • Visible light response could be tailored depending on the annealing temperature. • Photocatalytic properties and charge carrier transfer mechanism was proposed. - Abstract: Regenerated cellulose membrane was used as bio-template nanoreactor for the formation of rutile TiO 2 mesoporous, as well as in-situ carbon dopant in acidified sol-gel system. The effects of calcination temperature on the physicochemical characteristic of core-shell nanostructured of bio-templated C-doped mesoporous TiO 2 are highlighted in this study. By varying the calcination temperature, the thickness of the carbon shell coating on TiO 2 , crystallinity, surface area, and optical properties could be tuned as confirmed by HRTEM, nitrogen adsorption/desorption measurement, XRD and UV–vis-NIR spectroscopy. The results suggested that increment in the calcination temperature would lead to the band gap narrowing from 2.95 to 2.80 eV and the thickness of carbon shell increased from 0.40 to 1.20 nm. The x-ray photoelectron spectroscopy showed that the visible light absorption capability was mainly due to the incorporation of carbon dopant at interstitial position in the TiO 2 to form O−Ti−C or Ti−O−C bond. In addition, the formation of the carbon core-shell nanostructured was due to carbonaceous layer grafted onto the surface of TiO 2 via Ti−O−C and Ti−OCO bonds. The result indicated that bio-templated C-doped core-shell mesoporous TiO 2 prepared at 300 °C exhibited the highest photocatalytic activity. It is worthy to note that, the calcination temperature provided a huge impact towards improving the physicochemical and photocatalytic properties of the prepared bio-templated C-doped core-shell mesoporous TiO 2 .

  7. The effects of nonmetal dopants on the electronic, optical and chemical performances of monolayer g–C{sub 3}N{sub 4} by first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Lu, S. [Center for Coordination Bond Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Li, C., E-mail: canli1983@gmail.com [Center for Coordination Bond Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Li, H.H.; Zhao, Y.F.; Gong, Y.Y.; Niu, L.Y.; Liu, X.J. [Center for Coordination Bond Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Wang, T. [College of Electrical Engineering, Zhejiang University, Hangzhou 310027 (China)

    2017-01-15

    Highlights: • The electronic structures have been altered by the newly formed C−NM bonds and the relaxed chemical bonds around them. • The optical absorption edge (and intensity) in visible-light range red-shifts 10–75 nm (and increases about 14%–71%) except O– and S– doped specimens. • The separation of the HOMO and LUMO of H–, B–, O–, S–, F– and As– doped specimens can effectively enhance the photocatalytic efficiency.The electronic structures have been altered by the newly formed C−NM bonds and the relaxed chemical bonds around them. • The optical absorption edge (and intensity) in visible-light range red-shifts 10–75 nm (and increases about 14%–71%) except O– and S– doped specimens. • The separation of the HOMO and LUMO of H–, B–, O–, S–, F– and As– doped specimens can effectively enhance the photocatalytic efficiency. - Abstract: Doping is an effective means to alter the electronic behavior of materials by forming new chemical bond and relaxing the surrounding chemical bonds. With the aid of first-principle studies, the effects of a series of nonmetal (NM) dopants on the geometric, thermodynamic, electronic and optical performances of monolayer g–C{sub 3}N{sub 4} have been investigated. Results shown that, all considered NM atoms except Br and I atoms can be introduced into the monolayer g–C{sub 3}N{sub 4} on account of the thermal stability, the supercell parameter and film thickness have been altered by the newly formed C−NM bonds and the relaxed chemical bonds around them, which have affected their electronic structure. The band gap values were altered less than ±0.14 eV. The optical absorption edge (and intensity) in visible light of all doped specimens red-shift 10–75 nm (and increase about 14%–71%) except for O– and S–doped specimens, and thus the NM dopants can enhance the visible-light response capability. Moreover, the highest occupied molecular orbital and lowest unoccupied

  8. The effects of nonmetal dopants on the electronic, optical and chemical performances of monolayer g–C_3N_4 by first-principles study

    International Nuclear Information System (INIS)

    Lu, S.; Li, C.; Li, H.H.; Zhao, Y.F.; Gong, Y.Y.; Niu, L.Y.; Liu, X.J.; Wang, T.

    2017-01-01

    Highlights: • The electronic structures have been altered by the newly formed C−NM bonds and the relaxed chemical bonds around them. • The optical absorption edge (and intensity) in visible-light range red-shifts 10–75 nm (and increases about 14%–71%) except O– and S– doped specimens. • The separation of the HOMO and LUMO of H–, B–, O–, S–, F– and As– doped specimens can effectively enhance the photocatalytic efficiency.The electronic structures have been altered by the newly formed C−NM bonds and the relaxed chemical bonds around them. • The optical absorption edge (and intensity) in visible-light range red-shifts 10–75 nm (and increases about 14%–71%) except O– and S– doped specimens. • The separation of the HOMO and LUMO of H–, B–, O–, S–, F– and As– doped specimens can effectively enhance the photocatalytic efficiency. - Abstract: Doping is an effective means to alter the electronic behavior of materials by forming new chemical bond and relaxing the surrounding chemical bonds. With the aid of first-principle studies, the effects of a series of nonmetal (NM) dopants on the geometric, thermodynamic, electronic and optical performances of monolayer g–C_3N_4 have been investigated. Results shown that, all considered NM atoms except Br and I atoms can be introduced into the monolayer g–C_3N_4 on account of the thermal stability, the supercell parameter and film thickness have been altered by the newly formed C−NM bonds and the relaxed chemical bonds around them, which have affected their electronic structure. The band gap values were altered less than ±0.14 eV. The optical absorption edge (and intensity) in visible light of all doped specimens red-shift 10–75 nm (and increase about 14%–71%) except for O– and S–doped specimens, and thus the NM dopants can enhance the visible-light response capability. Moreover, the highest occupied molecular orbital and lowest unoccupied molecular orbital of H

  9. Carbon as amorphous shell and interstitial dopant in mesoporous rutile TiO{sub 2}: Bio-template assisted sol-gel synthesis and photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed Azuwa Mohamad [Advanced Membrane Technology Research Centre, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Wan Norharyati Wan Salleh, E-mail: hayati@petroleum.utm.my [Advanced Membrane Technology Research Centre, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Juhana Jaafar, E-mail: juhana@petroleum.utm.my [Advanced Membrane Technology Research Centre, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Mohamad Saufi Rosmi [Department of Chemistry, Faculty of Science and Mathematics, Universiti Pendidikan Sultan Idris, 35900, Tanjung Malim, Perak (Malaysia); Department of Frontier Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Zul Adlan Mohd Hir [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Muhazri Abd Mutalib; Ahmad Fauzi Ismail [Advanced Membrane Technology Research Centre, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Faculty of Chemical and Energy Engineering, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru (Malaysia); Tanemura, Masaki [Department of Frontier Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)

    2017-01-30

    Highlights: • RCM as bio-template and in-situ carbon shell and interstitial carbon doping. • Photo-sensitizers by carbonaceous layer grafted onto the surface of TiO{sub 2}. • Visible light response could be tailored depending on the annealing temperature. • Photocatalytic properties and charge carrier transfer mechanism was proposed. - Abstract: Regenerated cellulose membrane was used as bio-template nanoreactor for the formation of rutile TiO{sub 2} mesoporous, as well as in-situ carbon dopant in acidified sol-gel system. The effects of calcination temperature on the physicochemical characteristic of core-shell nanostructured of bio-templated C-doped mesoporous TiO{sub 2} are highlighted in this study. By varying the calcination temperature, the thickness of the carbon shell coating on TiO{sub 2}, crystallinity, surface area, and optical properties could be tuned as confirmed by HRTEM, nitrogen adsorption/desorption measurement, XRD and UV–vis-NIR spectroscopy. The results suggested that increment in the calcination temperature would lead to the band gap narrowing from 2.95 to 2.80 eV and the thickness of carbon shell increased from 0.40 to 1.20 nm. The x-ray photoelectron spectroscopy showed that the visible light absorption capability was mainly due to the incorporation of carbon dopant at interstitial position in the TiO{sub 2} to form O−Ti−C or Ti−O−C bond. In addition, the formation of the carbon core-shell nanostructured was due to carbonaceous layer grafted onto the surface of TiO{sub 2} via Ti−O−C and Ti−OCO bonds. The result indicated that bio-templated C-doped core-shell mesoporous TiO{sub 2} prepared at 300 °C exhibited the highest photocatalytic activity. It is worthy to note that, the calcination temperature provided a huge impact towards improving the physicochemical and photocatalytic properties of the prepared bio-templated C-doped core-shell mesoporous TiO{sub 2}.

  10. Moessbauer-spectroscopic characterization of the local surrounding of tin dopant cations in the bulk and on the surface of YCrO{sub 3} crystallites

    Energy Technology Data Exchange (ETDEWEB)

    Afanasov, Mikhail I.; Fabritchnyi, Pavel B. [M.V. Lomonosov Moscow State Univ. (Russian Federation). Dept. of Chemistry; Wattiaux, Alain; Labrugere, Christine; Delmas, Claude [CNRS, Bordeaux Univ., Pessac (France). Inst. de Chimie de la Matiere Condensee

    2011-03-15

    {sup 119}Sn Moessbauer spectra of tin-doped YCrO{sub 3}, obtained by annealing in air of an YCr({sup 119}Sn{sup 4+}){sub 0.003}(OH){sub 6} . xH{sub 2}O precursor, provide evidence for the location of Sn{sup 4+} on the Cr{sup 3+} site in the bulk of crystallites. Below the Neel point of YCrO{sub 3} (T{sub N} = 141 K), Sn{sup 4+} ions are spin-polarized, the majority exhibiting a hyperfine field H of 80 kOe at 4.2 K. Analysis of the {sup 119}Sn spectra of another sample, obtained by impregnation of polycrystalline YCrO{sub 3} with a solution of {sup 119}SnCl{sub 4}, shows that annealing in H{sub 2} results in the location of the dopant, in the divalent state, on the surface of the crystallites. The parameters of an in situ {sup 119}Sn spectrum at 295 K (isomer shift {delta} = 2.76 mm s{sup -1} and quadrupole splitting E{sub Q} = 1.95 mm s{sup -1}) reveal the presence of Sn{sup 2+} ions on sites with a coordination number CN < 6. At 100 K these Sn{sup 2+} ions exhibit no spin polarization. Upon contact with air they are rapidly oxidized to the tetravalent state, as demonstrated by their modified isomer shift value {delta} = 0.06 mm s{sup -1}. For the large majority of both the residual 'parent' Sn{sup 2+} ions and the 'daughter' Sn{sup 4+} ones no spin polarization is observed down to 4.2 K. This means that surface-located tin dopant cations, regardless of their oxidation state, occupy the Y{sup 3+} sites with an equal number of Cr{sup 3+} neighbors having mutually opposite spin orientations. (orig.)

  11. Yellow emitting Iridium (III) phenyl-benzothiazole complexes with different β-diketone ancillary ligands as dopants in white organic light-emitting diodes

    Science.gov (United States)

    Ivanov, P.; Petrova, P.; Tomova, R.

    2018-03-01

    We discuss the influence of the type of β-diketone ancillary ligand in Iridium (III) bis phenyl-benzothiazole complexes ((bt)2Ir(β-diketone)) on their photophysical and electroluminescent properties when they are used as dopants in white organic light-emitting diodes (WOLED). For this purpose, we investigated four novel yellow cyclometalated complexes: (bt)2Ir(dbm), (bt)2Ir(fmtdbm), (bt)2Ir(tta) and (bt)2Ir(bsm), where dbm = 1,3-diphenylpropane-1,3-dionate; fmtdbm = 1-(4-fluorophenyl)-3-(4-methoxyphenyl)propane-1,3-dionate; tta = 4,4,4-trifluoro-1-(thiophene-2-yl)butane-1,3-dionate; and bsm = 1-phenylicosane-1,3-dionate). To obtain white light by mixing emissions of two complementary colors (yellow emitted by the dopant and blue, by another emitter), we chose the following OLED structure: ITO/doped HTL/ElL/ETL/M, where ITO was a transparent anode of In2O3:SnO2; M, a metallic Al cathode; HTL, 4,4’-Bis(9H-carbazol-9-yl)biphenyl (CBP) involved in a poly(N-vinylcarbazole) (PVK) matrix; ElL, an electroluminescent layer of aluminum(III)bis(2-methyl-8-quninolinato)-4-phenylphenolate (BAlq); and ETL, an electron-transporting layer of zinc(II)bis(2-2-hydroxyphenyl)benzothiazole. We found that all complexes are suitable candidates for fabrication of WOLED. The best results were demonstrated by the device doped with 2 wt % of (bt)2Ir(bsm), which had twice as high luminescence (1100 cd/m2) and one-and-a-half as high current efficiency (5 cd/A) as the device doped with 1.25 wt % of the known (bt)2Ir(acac), with its 580 cd/m2 and 3.4 cd/A at approximately the same CIE (Commission Internationale de L’Eclairage) (x/y) coordinates of the warm white light emitted by the two devices.

  12. Tilts, dopants, vacancies and non-stoichiometry: Understanding and designing the properties of complex solid oxide perovskites from first principles

    Science.gov (United States)

    Bennett, Joseph W.

    Perovskite oxides of formula ABO3 have a wide range of structural, electrical and mechanical properties, making them vital materials for many applications, such as catalysis, ultrasound machines and communication devices. Perovskite solid solutions with high piezoelectric response, such as ferroelectrics, are of particular interest as they can be employed as sensors in SONAR devices. Ferroelectric materials are unique in that their chemical and electrical properties can be non-invasively and reversibly changed, by switching the bulk polarization. This makes ferroelectrics useful for applications in non-volatile random access memory (NVRAM) devices. Perovskite solid solutions with a lower piezoelectric response than ferroelectrics are important for communication technology, as they function well as electroceramic capacitors. Also of interest is how these materials act as a component in a solid oxide fuel cell, as they can function as an efficient source of energy. Altering the chemical composition of these solid oxide materials offers an opportunity to change the desired properties of the final ceramic, adding a degree of flexibility that is advantageous for a variety of applications. These solid oxides are complex, sometimes disordered systems that are a challenge to study experimentally. However, as it is their complexity which produces favorable properties, highly accurate modeling which captures the essential features of the disordered structure is necessary to explain the behavior of current materials and predict favorable compositions for new materials. Methodological improvements and faster computer speeds have made first-principles and atomistic calculations a viable tool for understanding these complex systems. Offering a combination of accuracy and computational speed, the density functional theory (DFT) approach can reveal details about the microscopic structure and interactions of complex systems. Using DFT and a combination of principles from both

  13. THE EFFECT OF ISOVALENT SUBSTITUTIONS AND DOPANTS OF 3D-METALS ON THE PROPERTIES OF FERROELECTRICS- SEMICONDUCTORS

    Directory of Open Access Journals (Sweden)

    O.I.V'yunov

    2003-01-01

    Full Text Available Electrophysical properties and microstructure of PTCR ceramics of the system (Ba,Ca,Sr,YTiO3+y%Mn have been investigated. It has been shown that manganese ions increase the potential barrier at grain boundaries and form a high-resistance outer layer in (Ba,Ca,Sr,YTiO3 ceramics. The resistance of grains, outer layers and grain boundaries, the values of temperature coefficient of resistance as well as the varistor effect as a function of manganese content of PTCR materials have been investigated.

  14. Charged dopants in neutral supercells through substitutional donor (acceptor): nitrogen donor charging of the nitrogen-vacancy center in diamond

    Science.gov (United States)

    Löfgren, Robin; Pawar, Ravinder; Öberg, Sven; Larsson, J. Andreas

    2018-02-01

    Charged defects are traditionally computed by adding (subtracting) electrons for negative (positive) impurities. When using periodic boundary conditions this results in artificially charged supercells that also require a compensating background charge of the opposite sign, which makes slab supercells problematic because of an arbitrary dependence on the vacuum thickness. In this work, we test the method of using neutral supercells through the use of a substitutional electron donor (acceptor) to describe charged systems. We use density functional theory (DFT) to compare the effects of charging the well-studied NV-center in diamond by a substitutional donor nitrogen. We investigate the influence of the donor-N on the NV-center properties as a function of the distance between them, and find that they converge toward those obtained when adding an electron. We analyze the spin density and conclude that the donor-N has a zero magnetic moment, and thus, will not be seen in electron spin resonance. We validate our DFT energies through comparison to GW simulations. Charging the NV-center with a substitutional donor-N enables accurate calculations of slabs, without the ambiguity of using charged supercells. Implantation of donor-N atoms opens up the possibility to engineer NV-centers with the desired charge state for future ICT and sensor applications.

  15. Temperature and hydrostatic pressure effects on single dopant states in hollow cylindrical core-shell quantum dot

    Science.gov (United States)

    El-Yadri, M.; Aghoutane, N.; El Aouami, A.; Feddi, E.; Dujardin, F.; Duque, C. A.

    2018-05-01

    This work reports on theoretical investigation of the temperature and hydrostatic pressure effects on the confined donor impurity in a AlGaAs-GaAs hollow cylindrical core-shell quantum dot. The charges are assumed to be completely confined to the interior of the shell with approximately rigid walls. Within the framework of the effective-mass approximation and by using a variational approach, we have computed the donor binding energies as a function of the shell size in order to study the behavior of the electron-impurity attraction for a very small thickness under the influence of both temperature and hydrostatic pressure. Our results show that the temperature and hydrostatic pressure have a significant influence on the impurity binding energy for large shell quantum dots. It will be shown that the binding energy is more pronounced with increasing pressure and decreasing temperature for any impurity position and quantum dot size. The photoionization cross section is also analyzed by considering only the in-plane incident radiation polarization. Its behavior is investigated as a function of photon energy for different values of pressure and temperature. The opposite effects caused by temperature and hydrostatic pressure reveal a big practical interest and offer an alternative way to tuning of correlated electron-impurity transitions in optoelectronic devices.

  16. Density Functional Investigation of Graphene Doped with Amine-Based Organic Molecules

    Directory of Open Access Journals (Sweden)

    Yeun Hee Hwang

    2015-01-01

    Full Text Available To improve the electronic properties of graphene, many doping techniques have been studied. Herein, we investigate the electronic and molecular structure of doped graphene using density functional theory, and we report the effects of amine-based benzene dopants adsorbed on graphene. Density functional theory (DFT calculations were performed to determine the role of amine-based aromatic compounds in graphene doping. These organic molecules bind to graphene through long-range interactions such as π-π interactions and C-H⋯π hydrogen bonding. We compared the electronic structures of pristine graphene and doped graphene to understand the electronic structure of doped graphene at the molecular level. Also, work functions of doped graphene were obtained from electrostatic potential calculations. A decrease in the work function was observed when the amine-based organic compounds were adsorbed onto graphene. Because these systems are based on physisorption, there was no obvious band structure change at point K at the Fermi level after doping. However, the amine-based organic dopants did change the absolute Fermi energy levels. In this study, we showed that the Fermi levels of the doped graphene were affected by the HOMO energy level of the dopants and by the intermolecular charge transfer between the adsorbed molecules and graphene.

  17. Minority-carrier lifetime in InP as a function of light bias

    Science.gov (United States)

    Yater, Jane A.; Weinberg, I.; Jenkins, Phillip P.; Landis, Geoffrey A.

    1995-01-01

    Minority-carrier lifetime in InP is studied as a function of doping level and laser intensity using time-resolved photoluminescence. A continuous wave diode laser illuminates bulk InP and acts as a light bias, injecting a steady-state concentration of carriers. A 200 ps laser pulse produces a small transient signal on top of the steady-state luminescence, allowing lifetime to be measured directly as a function of incident intensity. For p-InP, lifetime increases with light bias up to a maximum value. Bulk recombination centers are presumably filled to saturation, allowing minority carriers to live longer. The saturation bias scales with dopant concentration for a particular dopant species. As light bias is increased for n-InP, minority-carrier lifetime increases slightly but then decreases, suggesting radiative recombination as a dominant decay mechanism.

  18. Origin and Quenching of Novel ultraviolet and blue emission in NdGaO3: Concept of Super-Hydrogenic Dopants.

    Science.gov (United States)

    Ghosh, Siddhartha; Saha, Surajit; Liu, Zhiqi; Motapothula, M; Patra, Abhijeet; Yakovlev, Nikolai; Cai, Yao; Prakash, Saurav; Huang, Xiao Hu; Tay, Chuan Beng; Cong, Chun Xiao; Bhatt, Thirumaleshwara; Dolmanan, Surani B; Chen, Jianqiang; Lü, Weiming; Huang, Zhen; Tripathy, Sudhiranjan; Chua, Soo Jin; Yu, Ting; Asta, Mark; Ariando, A; Venkatesan, T

    2016-11-03

    In this study we report the existence of novel ultraviolet (UV) and blue emission in rare-earth based perovskite NdGaO 3 (NGO) and the systematic quench of the NGO photoluminescence (PL) by Ce doping. Study of room temperature PL was performed in both single-crystal and polycrystalline NGO (substrates and pellets) respectively. Several NGO pellets were prepared with varying Ce concentration and their room temperature PL was studied using 325 nm laser. It was found that the PL intensity shows a systematic quench with increasing Ce concentration. XPS measurements indicated that nearly 50% of Ce atoms are in the 4+ state. The PL quench was attributed to the novel concept of super hydrogenic dopant (SHD)", where each Ce 4+ ion contributes an electron which forms a super hydrogenic atom with an enhanced Bohr radius, due to the large dielectric constant of the host. Based on the critical Ce concentration for complete quenching this SHD radius was estimated to be within a range of 0.85 nm and 1.15 nm whereas the predicted theoretical value of SHD radius for NdGaO3 is ~1.01 nm.

  19. The Synergistic Effect of Nitrogen Dopant and Calcination Temperature on the Visible-Light-Induced Photoactivity of N-Doped TiO2

    Directory of Open Access Journals (Sweden)

    Yao-Tung Lin

    2013-01-01

    Full Text Available The synergistic effect of nitrogen content and calcinations temperature on the N-doped TiO2 catalysts prepared by sol-gel method was investigated. The phase and structure, chemical state, optical properties, and surface area/pore distribution of N-doped TiO2 were characterized using X-ray diffraction spectrometer, high-resolution transmission electron microscope, X-ray photoelectron spectroscopy, UV-vis diffusion reflectance spectroscopy, and Brunauer-Emmett-Teller specific surface area. Finding showed that the photocatalytic activity of N-doped TiO2 was greatly enhanced compared to pure TiO2 under visible irradiation. N dopants could retard the transformation from anatase to rutile phase. Namely, N-doping effect is attributed to the anatase phase stabilization. The results showed nitrogen atoms were incorporated into the interstitial positions of the TiO2 lattice. Ethylene was used to evaluate the photocatalytic activity of samples under visible-light illumination. The results suggested good anatase crystallization, smaller particle size, and larger surface are beneficial for photocatalytic activity of N-doped TiO2. The N-doped TiO2 catalyst prepared with ammonia to titanium isopropoxide molar ratio of 2.0 and calcinated at 400°C showed the best photocatalytic ability.

  20. Liquid chromatography-dopant-assisted atmospheric pressure photoionization-mass spectrometry: Application to the analysis of aldehydes in atmospheric aerosol particles.

    Science.gov (United States)

    Ruiz-Jiménez, José; Hautala, Sanna; Parshintsev, Jevgeni; Laitinen, Totti; Hartonen, Kari; Petäjä, Tuukka; Kulmala, Markku; Riekkola, Marja-Liisa

    2013-01-01

    A complete methodology based on LC-anisole-toluene dopant-assisted atmospheric pressure photoionization-IT-MS was developed for the determination of aldehydes in atmospheric aerosol particles. For the derivatization, ultrasound was used to accelerate the reaction between the target analytes and 2,4-dinitrophenylhydrazine. The developed methodology was validated for three different samples, gas phase, ultrafine (Dp = 30 ± 4 nm; where Dp stands for particle diameter) and all-sized particles, collected on Teflon filters. The method quantitation limits ranged from 5 to 227 pg. The accuracy and the potential matrix effects were evaluated using standard addition methodology. Recoveries ranged between 91.7 and 109.9%, and the repeatability and the reproducibility of the method developed between 0.5 and 8.0% and between 2.9 and 11.1%, respectively. The results obtained by the developed methodology compared to those provided by the previously validated method revealed no statistical differences. The method developed was applied to the determination of aldehydes in 16 atmospheric aerosol samples (30 nm and all-sized samples) collected at the Station for Measuring Forest Ecosystem-Atmosphere Relations II during spring 2011. The mean concentrations of aldehydes, and oxidation products of terpenes were between 0.05 and 82.70 ng/m(3). © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Dopant-assisted negative photoionization Ion mobility spectrometry coupled with on-line cooling inlet for real-time monitoring H2S concentration in sewer gas.

    Science.gov (United States)

    Peng, Liying; Jiang, Dandan; Wang, Zhenxin; Hua, Lei; Li, Haiyang

    2016-06-01

    Malodorous hydrogen sulfide (H2S) gas often exists in the sewer system and associates with the problems of releasing the dangerous odor to the atmosphere and causing sewer pipe to be corroded. A simple method is in demand for real-time measuring H2S level in the sewer gas. In this paper, an innovated method based on dopant-assisted negative photoionization ion mobility spectrometry (DANP-IMS) with on-line semiconductor cooling inlet was put forward and successfully applied for the real-time measurement of H2S in sewer gas. The influence of moisture was effectively reduced via an on-line cooling method and a non-equilibrium dilution with drift gas. The limits of quantitation for the H2S in ≥60% relative humidity air could be obtained at ≤79.0ng L(-1) with linear ranges of 129-2064ng L(-1). The H2S concentration in a sewer manhole was successfully determined while its product ions were identified by an ion-mobility time-of-fight mass spectrometry. Finally, the correlation between sewer H2S concentration and the daily routines and habits of residents was investigated through hourly or real-time monitoring the variation of sewer H2S in manholes, indicating the power of this DANP-IMS method in assessing the H2S concentration in sewer system. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Analysis of anabolic steroids in urine by gas chromatography-microchip atmospheric pressure photoionization-mass spectrometry with chlorobenzene as dopant.

    Science.gov (United States)

    Hintikka, Laura; Haapala, Markus; Kuuranne, Tiia; Leinonen, Antti; Kostiainen, Risto

    2013-10-18

    A gas chromatography-microchip atmospheric pressure photoionization-tandem mass spectrometry (GC-μAPPI-MS/MS) method was developed for the analysis of anabolic androgenic steroids in urine as their trimethylsilyl derivatives. The method utilizes a heated nebulizer microchip in atmospheric pressure photoionization mode (μAPPI) with chlorobenzene as dopant, which provides high ionization efficiency by producing abundant radical cations with minimal fragmentation. The performance of GC-μAPPI-MS/MS was evaluated with respect to repeatability, linearity, linear range, and limit of detection (LOD). The results confirmed the potential of the method for doping control analysis of anabolic steroids. Repeatability (RSD<10%), linearity (R(2)≥0.996) and sensitivity (LODs 0.05-0.1ng/mL) were acceptable. Quantitative performance of the method was tested and compared with that of conventional GC-electron ionization-MS, and the results were in good agreement. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Effect of dopants and thermal treatment on properties of Ga-Al-ZnO thin films fabricated by hetero targets sputtering system

    International Nuclear Information System (INIS)

    Hong, JeongSoo; Matsushita, Nobuhiro; Kim, KyungHwan

    2013-01-01

    In this study, we fabricated Ga and Al doped ZnO (Ga-Al-ZnO; GAZO) thin films by using the facing targets sputtering system under various conditions such as input current and thermal treatment temperature. The properties of the as-deposited GAZO thin films were examined by four-point, UV/Vis spectrometry, X-ray diffraction, atomic force microscopy and field-emission scanning electron microscopy. The result showed that the lowest sheet resistance of the films was 59.3 ohm/sq and transmittance was about 85%. After thermal treatment, the properties of GAZO thin films were improved. The lowest sheet resistance (47.3 ohm/sq) of the GAZO thin films were obtained at thermal treatment temperature of 300 °C, considered to be the result of continuous substitutions by dopants and improved crystallinity by the thermal treatment. - Highlights: ► Ga and Al doped ZnO thin films were prepared by hetero targets sputtering system. ► Free electrons were increased due to the continuous substitutions of Ga and Al. ► Crystallinity was improved by recombination of particles with increasing of temperature

  4. Molecular dynamics simulations of the effect of shape and size of SiO2 nanoparticle dopants on insulation paper cellulose

    Directory of Open Access Journals (Sweden)

    Chao Tang

    2016-12-01

    Full Text Available The effect of silica nanoparticle (Nano-SiO2 dopants on insulation paper cellulose, and the interaction between them, was investigated using molecular dynamics simulations. The mechanical properties, interactions, and cellulose-Nano-SiO2 compatibility of composite models of cellulose doped with Nano-SiO2 were studied. An increase in Nano-SiO2 size leads to a decrease in the mechanical properties, and a decrease in the anti-deformation ability of the composite model. The binding energies and bond energies per surface area of the composite models indicate that the bonding interaction between spherical Nano-SiO2 and cellulose is the strongest among the four different Nano-SiO2 shapes that are investigated. The solubilities of the four composite models decrease with increasing Nano-SiO2 size, and the difference between the solubility of pure cellulose and those of the composite models increases with increasing Nano-SiO2 size. Good doping effects with the highest cellulose-Nano-SiO2 compatibility are achieved for the cellulose model doped with spherical Nano-SiO2 of 10 Å in diameter. These findings provide a method for modifying the mechanical properties of cellulose by doping, perhaps for improving insulation dielectrics.

  5. Dependence of the up-conversion emission of Li+ co-doped Y2O3:Er3+ films with dopant concentration

    International Nuclear Information System (INIS)

    Meza-Rocha, A.N.; Huerta, E.F.; Caldiño, U.; Carmona-Téllez, S.; Bettinelli, M.; Speghini, A.; Pelli, S.; Righini, G.C.

    2015-01-01

    The effect of dopant concentration on the up-conversion emission, and in particular on the Er 3+ related green and red emissions of spray pyrolysis deposited films of Y 2 O 3 :Er 3+ co-doped with Li + , is reported. Er 3+ concentrations in the films in the range of 1.1–5.6 at% (1.5–14 at% Er 3+ in the spraying solution) were studied, as well as the effect of co-doping them with Li + . Large concentrations of Er 3+ favor the red emission, especially for contents higher than 10 at% in the spraying solution. Li + co-doping improves the green and red emissions up to 365 and 171 times, respectively, depending on the Er 3+ and Li + concentrations. - Highlights: Up-converting Y 2 O 3 :Er 3+ and Y 2 O 3 :Er 3+ , Li + films were deposited by spray pyrolysis. The effect of Li + co-doping on the green and red UC Er 3+ emission is reported. Li + co-doping improves the green and red emission up to 365 and 171 times

  6. Effect of rare-earth dopants on the growth and structural, optical, electrical and mechanical properties of L-arginine phosphate single crystals

    International Nuclear Information System (INIS)

    Arjunan, S.; Bhaskaran, A.; Kumar, R. Mohan; Mohan, R.; Jayavel, R.

    2010-01-01

    Research highlights: → Thorium, Lanthanum and Cerium rare-earth ions were doped with L-arginine phosphate material and the crystals were grown by slow evaporation technique. → The transparency of the rare-earth doped LAP crystals has enhanced compared to pure LAP. → The powder SHG measurements revealed that the SHG output of rare-earth doped LAP crystals increases considerably compared to that of LAP. → Vicker's hardness number of as-grown crystal of LAP is higher than that of rare-earth doped LAP crystals. - Abstract: Effect of Thorium, Lanthanum and Cerium rare-earth ions on the growth and properties of L-arginine phosphate single crystals has been reported. The incorporation of rare-earth dopants into the L-arginine phosphate crystals is confirmed by Inductively Coupled Plasma-Mass Spectroscopy analysis. The unit cell parameters for pure and rare-earth doped L-arginine phosphate crystals have been estimated by powder X-ray diffraction studies. UV-visible studies revealed the transmittance percentage and cut-off wavelengths of the grown crystals. Powder second harmonic generation measurement has been carried out for pure and doped L-arginine phosphate crystals. The dielectric behavior of the grown crystals was analyzed for different frequencies at room temperature. The mechanical properties have been determined for pure and the doped L-arginine phosphate crystals.

  7. Effect of rare-earth dopants on the growth and structural, optical, electrical and mechanical properties of L-arginine phosphate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Arjunan, S., E-mail: arjunan_hce@yahoo.co.i [Department of Physics, Sri Ramachandra University, Porur, Chennai (India); Bhaskaran, A. [Department of Physics, Dr. Ambedkar Government College, Chennai (India); Kumar, R. Mohan; Mohan, R. [Department of Physics, Presidency College, Chennai (India); Jayavel, R. [Crystal Growth Centre, Anna University, Chennai (India)

    2010-09-17

    Research highlights: {yields} Thorium, Lanthanum and Cerium rare-earth ions were doped with L-arginine phosphate material and the crystals were grown by slow evaporation technique. {yields} The transparency of the rare-earth doped LAP crystals has enhanced compared to pure LAP. {yields} The powder SHG measurements revealed that the SHG output of rare-earth doped LAP crystals increases considerably compared to that of LAP. {yields} Vicker's hardness number of as-grown crystal of LAP is higher than that of rare-earth doped LAP crystals. - Abstract: Effect of Thorium, Lanthanum and Cerium rare-earth ions on the growth and properties of L-arginine phosphate single crystals has been reported. The incorporation of rare-earth dopants into the L-arginine phosphate crystals is confirmed by Inductively Coupled Plasma-Mass Spectroscopy analysis. The unit cell parameters for pure and rare-earth doped L-arginine phosphate crystals have been estimated by powder X-ray diffraction studies. UV-visible studies revealed the transmittance percentage and cut-off wavelengths of the grown crystals. Powder second harmonic generation measurement has been carried out for pure and doped L-arginine phosphate crystals. The dielectric behavior of the grown crystals was analyzed for different frequencies at room temperature. The mechanical properties have been determined for pure and the doped L-arginine phosphate crystals.

  8. Atomic ordering of the fluorine dopant in the $HgBa_{2}CuO_{4+\\delta}high-T_{c}$ superconductor

    CERN Document Server

    Correia, João Guilherme; Araújo, João Pedro; Bordet, P; Haas, Heinz; Le Floc'h, S; Lopes, A M L; Rita, E; Carvalho-Soares, João

    2005-01-01

    Lattice sites and collective ordering of fluorine atoms in oxygen- reduced samples of HgBa/sub 2/CuO/sub 4/ were investigated with the perturbed angular correlation technique by measuring the electric field gradients induced at /sup 199m/Hg nuclei. The experimental data were interpreted with the help of ab initio calculations of charge distributions for different fluorine configurations in Hg/sub m/Ba /sub 2m/Cu/sub m/O/sub 4m/F/sub n/, supercells. Internal parameters were allowed to relax, to cancel residual atomic forces due to the dopant. The experimental results show clearly that fluorine occupies only the center of the mercury mesh. For a fluorine content delta F>~0.35 the best agreement with theoretical data is obtained under the assumption that fluorine shows a tendency toward ordering along interstitial rows parallel to a, b. In conformity with experimental data from diffraction techniques the calculations show elongations of the O(2)-Hg-O(2) dumbbell and barium shifts towards the fluorine atoms as ef...

  9. Photoionization cross section and binding energy of single dopant in hollow cylindrical core/shell quantum dot

    Science.gov (United States)

    Feddi, E.; El-Yadri, M.; Dujardin, F.; Restrepo, R. L.; Duque, C. A.

    2017-02-01

    In this study, we have investigated the confined donor impurity in a hollow cylindrical-shell quantum dot. The charges are assumed to be completely confined to the interior of the shell with rigid walls. Within the framework of the effective-mass approximation and by using a simple variational approach, we have computed the donor binding energy as a function of the shell sizes in order to study the behavior of the electron-impurity attraction for a very small thickness. Our results show that the binding energy of a donor impurity placed at the center of cylindrical core/shell dots depends strongly on the shell size. The binding energy increases when the shell-wideness becomes smaller and shows the same behavior as in a simple cylindrical quantum dot. A special case has been studied, which corresponds to the ratio between the inner and outer radii near to one (a/b → 1) for which our model gives a non-significant behavior of the impurity binding energy. This fact implies the existence of a critical value (a/b) for which the binding energy of the donor impurity tends to the limit value of 4 effective Rydbergs as in a 2D quantum well. We also analyse the photoionization cross section considering only the in-plane incident radiation polarization. We determine its behavior as a function of photon energy, shell size, and donor position. The measurement of photoionization in such systems would be of great interest to understand the optical properties of carriers in quantum dots.

  10. Improved electron injection and transport by use of baking soda as a low-cost, air-stable, n-dopant for solution-processed phosphorescent organic light-emitting diodes

    Science.gov (United States)

    Earmme, Taeshik; Jenekhe, Samson A.

    2013-06-01

    Sodium bicarbonate (baking soda, NaHCO3) is found to be an efficient low-cost, air-stable, and environmentally friendly n-dopant for electron-transport layer (ETL) in solution-processed phosphorescent organic light-emitting diodes (PhOLEDs). A 2.0-fold enhancement in power efficiency of blue PhOLEDs is observed by use of NaHCO3-doped 4,7-diphenyl-1,10-phenanthroline (BPhen) ETL. The bulk conductivity of NaHCO3-doped BPhen film is increased by 5 orders of magnitude. Enhanced performance of PhOLEDs is similarly observed by use of NaHCO3-doped 1,3,5-tris(m-pyrid-3-yl-phenyl)benzene ETL. These results demonstrate that sodium bicarbonate is an effective n-dopant in organic electronics.

  11. Complete doping in solid-state by silica-supported perchloric acid as dopant solid acid: Synthesis and characterization of the novel chiral composite of poly [(±)-2-(sec-butyl) aniline

    Energy Technology Data Exchange (ETDEWEB)

    Farrokhzadeh, Abdolkarim; Modarresi-Alam, Ali Reza, E-mail: modaresi@chem.usb.ac.ir

    2016-05-15

    Poly [(±)-2-(sec-butyl) aniline]/silica-supported perchloric acid composites were synthesized by combination of poly[(±)-2-sec-butylaniline] base (PSBA) and the silica-supported perchloric acid (SSPA) as dopant solid acid in solid-state. The X-ray photoelectron spectroscopy (XPS) and CHNS results confirm nigraniline oxidation state and complete doping for composites (about 75%) and non-complete for the PSBA·HCl salt (about 49%). The conductivity of samples was (≈0.07 S/cm) in agreement with the percent of doping obtained of the XPS analysis. Also, contact resistance was determined by circular-TLM measurement. The morphology of samples by the scanning electron microscopy (SEM) and their coating were investigated by XPS, SEM-map and energy-dispersive X-ray spectroscopy (EDX). The key benefits of this work are the preparation of conductive chiral composite with the delocalized polaron structure under green chemistry and solid-state condition, the improvement of the processability by inclusion of the 2-sec-butyl group and the use of dopant solid acid (SSPA) as dopant. - Highlights: • The solid-state synthesis of the novel chiral composites of poly[(±)-2-(sec-butyl)aniline] (PSBA) and silica-supported perchloric acid (SSPA). • It takes 120 h for complete deprotonation of PSBA.HCl salt. • Use of SSPA as dopant solid acid for the first time to attain the complete doping of PSBA. • The coating of silica surface with PSBA.

  12. Tuning Cu dopant of Zn 0.5 Cd 0.5 S nanocrystals enables high-performance photocatalytic H 2 evolution from water splitting under visible-light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Zongwei; Zhang, Bingkai; Zheng, Jiaxin; Yuan, Sheng; Zhuo, Zengqing; Meng, Xianguang; Chen, Zonghai; Amine, Khalil; Yang, Wanli; Wang, Lin. -Wang; Wang, Wei; Wang, Shufeng; Gong, Qihuang; Li, Jun; Liu, Fu. -Sheng; Pan, Feng

    2016-08-01

    Cu-doping into Zn1-xCdxS can greatly enhance the photocatalytic H2 evolution from water splitting under visible-light irradiation. However, it is still controversial for how the Cu-dopant improves this performance. Here, we report that appropriate Cu-doped Zn0.5Cd0.5S nanocrystals reach 21.4 mmol/h/g of H2 evolution rate without cocatalyst in the visible-light region, which is also 2.8 times as high as that of the undoped counterpart, and the corresponding apparent quantum efficiency is 18.8% at 428 nm. It is firstly confirmed that the Cu2+ changes into Cu+ after being doped by soft X-ray absorption spectroscopy (sXAS). We theoretically propose that the transformation of 2Cu2+ to 2Cu+ results in one adjacent S2- vacancy (VS) in host during the doping process, while the Cu+-dopant and VS attract the photoexcited holes and electrons, respectively. Accordingly, the photocatalytic activity is improved due to the enhanced separation of photoexcited carriers accompanied with the enhanced light absorption resulting from the Cu+-dopant and 2Cu+/VS complex as possible active site for photocatalytic H2 evolution.

  13. Dopant-driven enhancements in the optoelectronic properties of laser ablated ZnO: Ga thin films

    Science.gov (United States)

    Hassan, Ali; Jin, Yuhua; Chao, Feng; Irfan, Muhammad; Jiang, Yijian

    2018-04-01

    Theoretically and experimentally evaluated optoelectronic properties of GZO (Ga-doped zinc oxide) were correlated in the present article. Density functional theory and Hubbard U (DFT + Ud + Up) first-principle calculations were used for the theoretical study. The pulsed laser deposition technique was used to fabricate GZO thin films on p-GaN, Al2O3, and p-Si substrates. X-ray diffraction graphs show single crystal growth of GZO thin films with (002) preferred crystallographic orientation. The chemical composition was studied via energy dispersive X-ray spectroscopy, and no other unwanted impurity-related peaks were found, which indicated the impurity-free thin film growth of GZO. Field emission scanning electron microscopic micrographs revealed noodle-, seed-, and granular-like structures of GZO/GaN, GZO/Al2O3, and GZO/Si, respectively. Uniform growth of GZO/GaN was found due to fewer mismatches between ZnO and GaN (0.09%). Hall effect measurements in the van der Pauw configuration were used to check electrical properties. The highest mobility (53 cm2/Vs) with a high carrier concentration was found with low laser shots (1800). A 5-fold photoluminescence enhancement in the noodle-like structure of GZO/GaN compared with GZO/Al2O3 and GZO/Si was detected. This points toward shape-driven optical properties because the noodle-like structure is more favorable for optical enhancements in GZO thin films. Theoretical (3.539 eV) and experimental (3.54 eV) values of the band-gap were also found to be comparable. Moreover, the lowest resistivity (3.5 × 10-4 Ωcm) with 80% transmittance is evidence that GZO is a successful alternate of ITO.

  14. Effect of oxygen vacancy and dopant concentration on the magnetic properties of high spin Co2+ doped TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Choudhury, B.; Choudhury, A.; Maidul Islam, A.K.M.; Alagarsamy, P.; Mukherjee, M.

    2011-01-01

    Co doped TiO 2 nanoparticles have been synthesized by a simple sol-gel route taking 7.5, 9.5 and 10.5 mol% of cobalt concentration. Formation of nanoparticles is confirmed by XRD and TEM. Increase in d-spacing occurs for (0 0 4) and (2 0 0) peak with increase in impurity content. Valence states of Co and its presence in the doped material is confirmed by XPS and EDX. The entire vacuum annealed samples show weak ferromagnetism. Increased magnetization is found for 9.5 mol% but this value again decreases for 10.5 mol% due to antiferromagnetic interactions. A blocking temperature of 37.9 K is obtained, which shows shifting to high temperature as the dopant concentration is increased. The air annealed sample shows only paramagnetic behavior. Temperature dependent magnetic measurements for the air annealed sample shows antiferromagnetic behavior with a Curie-Weiss temperature of -16 K. Here we report that oxygen vacancy and cobalt aggregates are a key factor for inducing ferromagnetism-superparamagnetism in the vacuum annealed sample. Appearance of negative Curie-Weiss temperature reveals the presence of antiferromagnetic Co 3 O 4 , which is the oxidation result of metallic Co or cobalt clusters present on the host TiO 2 . - Research highlights: → Oxygen vacancy induces ferromagnetism in cobalt doped anatase TiO2 nanoparticles. → On air annealing the sample loses ferromagnetism giving rise to paramagnetism. → Saturation magnetization decreases at higher doping concentration. → Blocking of magnetic moment occurs due to the presence of cobalt clusters.

  15. The role of Al, Ba, and Cd dopant elements in tailoring the properties of c-axis oriented ZnO thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Dilawar [Department of Physics GC University, Lahore 54000 (Pakistan); Center for Advanced Studies in Physics, GC University Lahore, Lahore 54000 (Pakistan); Butt, M.Z., E-mail: mzakriabutt@gmail.com [Center for Advanced Studies in Physics, GC University Lahore, Lahore 54000 (Pakistan); Arif, Bilal [Department of Physics, Faculty of Arts and Sciences, Firat University, 23169 Elazig (Turkey); Al-Ghamdi, Ahmed A. [Department of Physics, Faculty of Sciences, King Abdul Aziz University, Jeddah (Saudi Arabia); Yakuphanoglu, Fahrettin [Department of Physics, Faculty of Arts and Sciences, Firat University, 23169 Elazig (Turkey); Department of Physics, Faculty of Sciences, King Abdul Aziz University, Jeddah (Saudi Arabia)

    2017-02-01

    Highly c-axis oriented un-doped ZnO and Al-, Ba-, and Cd-doped ZnO thin films were successfully deposited on glass substrate employing sol-gel spin coating method. XRD analysis showed that all thin films possess hexagonal wurtzite structure with preferred orientation along c-axis. Field emission scanning electron microscope (FESEM) was used to study the morphology of thin films. The morphology consists of spherical and non-spherical shape grains. EDX analysis confirms the presence of O, Zn, Al, Ba, and Cd in the relevant thin films. The optical properties of thin films were studied using UV–Vis spectrometer. All thin films possess more than 85% optical transmittance in the visible region. Blue shift in optical band gap E{sub g} has been observed on doping with Al, whereas doping with Ba and Cd resulted in red shift of E{sub g}. Urbach energy E{sub u} of all doped ZnO thin films was found to have excellent correlation with their band gap energy E{sub g}. Moreover, E{sub g} increases while E{sub u} decreases on the increase in crystallite size D. Optical parameters E{sub g} and E{sub u} as well as structural parameters lattice strain and stacking fault probability also show excellent correlation with the B-factor or the mean-square amplitude of atomic vibrations of the dopant elements. Electrical conductivity measurement of the thin films was carried out using two-point probe method. The electrical conductivity was found to increase with the increase in crystallite orientation along c-axis.

  16. The influence of Cd-dopant on the properties of α-FeOOH and α-Fe2O3 particles precipitated in highly alkaline media

    International Nuclear Information System (INIS)

    Krehula, Stjepko; Music, Svetozar

    2007-01-01

    The effects of Cd-dopant on the phenomenology of the precipitation of α-(Fe, Cd)OOH and α-(Fe, Cd) 2 O 3 particles, the formation of solid solutions, particle size and their geometrical shapes were investigated using Moessbauer and Fourier transform infrared (FT-IR) spectroscopies, field emission scanning electron microscopy (FE SEM) and energy dispersive X-ray analysis (EDS). The formation of merely α-(Fe, Cd)OOH solid solutions was measured up to r = 0.0196, where r = [Cd]/([Cd] + [Fe]). The formation of two types of solid solutions, α-(Fe, Cd)OOH and α-(Fe, Cd) 2 O 3 was found at r between 0.0291 and 0.0698, whereas the formation of an α-(Fe, Cd) 2 O 3 solid solution alone was obtained at r = 0.0909. The incorporation of Cd-substitutions into α-FeOOH and α-Fe 2 O 3 structures decreased the hf > values of the corresponding hyperfine magnetic field. The IR band at 639 cm -1 , recorded for α-FeOOH, was found to be sensitive to Cd-substitutions. With an increased r value a gradual elongation of α-(Fe, Cd)OOH particles along the c-axis was observed, with the maximum elongation (∼600-700 nm) obtained at r = 0.0476. At the same time, particle width (b-axis direction) and thickness (a-axis direction) showed a gradual decrease. With a further increase in the r value the length of α-(Fe, Cd)OOH particles rapidly decreased. α-(Fe, Cd) 2 O 3 particles ∼100-200 nm in size were obtained at r = 0.0909

  17. Dopant disorder-free 2DEG GaAs/AlGaAs heterostructure FET devices for quantum hall and nanostructure studies

    International Nuclear Information System (INIS)

    Facer, G.R.; Kane, B.E.

    1996-01-01

    Full text: Two-dimensional electron gas (2DEG) GaAs/AIGaAs heterostructures have been grown by molecular beam epitaxy (MBE) in which gate-induced accumulation of carriers replaces the more usual modulation doping. These novel devices have the advantages of reduced disorder and a high degree of tunability in the carrier density. Because modulation doping is not used, disorder effects in the 2DEG due to nearby dopants are eliminated. Mean free paths for electrons exceed 30 μm at low temperatures. Electron densities are accurately tunable over nearly two orders of magnitude, from 9 x 10 9 cm -2 to 4 x 10 11 cm -2 . Very high electron mobilities, exceeding 3 x10 6 cm 2 /Vs at 4.2 K, are obtained. With such a combination of density tunability and low disorder, these layers provide unique opportunities for studying low dimensional systems following further lithography. Nanolithography with feature sizes under 50 nm will be possible at UNSW in early 1996. In preparation for 1-dimensional and 0-dimensional structure fabrication, the 2DEG samples have been characterised in steady fields at temperatures ∼ 50 mK. Recent theory has explained the fractional quantum Hall effect at electron filling factor ν=1/2 in terms of composite fermions (made up of interacting electrons) behaving as if they are a non-interacting system at B=0. The question of the mobility μ c of composite fermions in the new devices, and how it varies as the electron density varies, has been studied. Preliminary measurements at ν=1/2 yield μ c ∼ 10 4 cm 2 /Vs. The composite fermion mobility is nearly independent of electron density beyond an apparent threshold N = 0.5 x 10 11 cm -2 , and independent of temperature in the range 50 to 200 mK. The electron N threshold coincides with the crossover of the carrier Fermi wavelength and the mean free path

  18. Experimental and density functional study of Mn doped Bi2Te3 topological insulator

    Directory of Open Access Journals (Sweden)

    A. Ghasemi

    2016-12-01

    Full Text Available We present a nanoscale structural and density functional study of the Mn doped 3D topological insulator Bi2Te3. X-ray absorption near edge structure shows that Mn has valency of nominally 2+. Extended x-ray absorption fine structure spectroscopy in combination with electron energy loss spectroscopy (EELS shows that Mn is a substitutional dopant of Bi and Te and also resides in the van der Waals gap between the quintuple layers of Bi2Te3. Combination of aberration-corrected scanning transmission electron microscopy and EELS shows that Mn substitution of Te occurs in film regions with increased Mn concentration. First-principles calculations show that the Mn dopants favor octahedral sites and are ferromagnetically coupled.

  19. Dopants and defects in semiconductors

    CERN Document Server

    McCluskey, Matthew D

    2012-01-01

    "The book goes beyond the usual textbook in that it provides more specific examples of real-world defect physics … The book will be most useful for beginning graduate students in materials science. … an easy reading, broad introductory overview of the field …"-Materials Today, July-August 2012"… well written, with clear, lucid explanations …"-Chemistry World"The scientific development towards the method of controllable doping transformed the erratic and not reproducible family of semiconductor materials into the truly wonderful basis of modern microelectronics. This book tells the remarkable success story and I recommend it!"-Hans J. Queisser, Max-Planck-Institute, Stuttgart, Germany"McCluskey and Haller have written an outstanding modern guide to this field that will be useful to newcomers, and also to active researchers who want to broaden their horizons, as a means to learn the capabilities and limitations of the many techniques that are used in semiconductor-defect science."-Professor Michael J....

  20. Effect of the substituents on the photophysical, electrochemical and electroluminescence properties of OLED dopant Iridium bis(2-phenylbenzothiozolato- N,C2')(acetylacetonate)

    Science.gov (United States)

    Ivanov, P.; Tomova, R.; Petrova, P.

    2014-12-01

    The effect of two substituents: clorine and 1,3-diphenylpropane-1,3-dionate, placed on different position in the molecule of Iridium (III) bis(2-phenylbenzothiozolato-N,C2')- (acetylacetonate) (bt)2Ir(acac), on its electrochemical behaviour, photophysical and electroluminescence properties were investigated. Three complexes (bt)2Ir(acac), Iridium (III) bis[2-(4-chlorophenyl)benzothiazolato-N,C2']-acetylacetonate (Clbt)2Ir(acac), in which the Cl atom was introduced on the 4-position in the benzothiazole ring, and the new Iridium (Ill) bis[2 -phenylbenzothiazolato -N,C2'] -(1,3 -diphenylpropane-1,3 -dionate) (bt)2Ir(dbm), where ancillary acetylacetonate ligand was replaced by 1,3-diphenylpropane-1,3-dionate, were synthesized and characterised by 1H-NMR and elemental analysis. The HOMO/LUMO energy levels of the complexes were determined by cyclic voltammetry (CV) and their properties were established by UV-Visible and fluorescence spectroscopy. The application of (Clbt)2Ir(acac), (bt)2Ir(bsm) and (bt)2Ir(acac) as dopants in hole transporting layer (HTL) of Organic light- emitting diodes(OLEDs). It was found that with respect to the reference (bt)2Ir(acac): both LUMO and HOMO of the substituted complexes were shifted to more positive values accordingly with 0.23 and 0.19 eV for (Clbt)2Ir(acac) and 0.14 and 0.12 eV for (bt)2Ir(dbm). OLEDs doped with 1 w% of the complexes irradiated the warm white light with Commission internationale de l'eclairage (CIE) coordinates: 0.24;0.38 for (Clbt)2Ir(acac), 0.30;0.44 for (bt)2Ir(acac) and 0.28;0.46 for (bt)2Ir(dbm). Devices doped with 10 w% of all complexes irradiated in the yellow orange region of the spectrum.

  1. Tris(2-(1 H -pyrazol-1-yl)pyridine)cobalt(III) as p-Type Dopant for Organic Semiconductors and Its Application in Highly Efficient Solid-State Dye-Sensitized Solar Cells

    KAUST Repository

    Burschka, Julian

    2011-11-16

    Chemical doping is an important strategy to alter the charge-transport properties of both molecular and polymeric organic semiconductors that find widespread application in organic electronic devices. We report on the use of a new class of Co(III) complexes as p-type dopants for triarylamine-based hole conductors such as spiro-MeOTAD and their application in solid-state dye-sensitized solar cells (ssDSCs). We show that the proposed compounds fulfill the requirements for this application and that the discussed strategy is promising for tuning the conductivity of spiro-MeOTAD in ssDSCs, without having to rely on the commonly employed photo-doping. By using a recently developed high molar extinction coefficient organic D-π-A sensitizer and p-doped spiro-MeOTAD as hole conductor, we achieved a record power conversion efficiency of 7.2%, measured under standard solar conditions (AM1.5G, 100 mW cm -2). We expect these promising new dopants to find widespread applications in organic electronics in general and photovoltaics in particular. © 2011 American Chemical Society.

  2. Ti-dopant-enhanced photocatalytic activity of a CaFe{sub 2}O{sub 4}/MgFe{sub 2}O{sub 4} bulk heterojunction under visible-light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Borse, Pramod H. [International Advanced Research Center for Powder Metallurgy and New Materials, Hyderabad (India); Kim, Jae Y.; Lee, Jae S. [Pohang University of Science and Technology, Pohang (Korea, Republic of); Lim, Kwon T. [Pukyong National University, Busan (Korea, Republic of); Jeong, Euh D.; Bae, Jong S.; Yoon, Jang H.; Yu, Seong M.; Kim, Hyun G. [Korea Basic Science Institute, Busan (Korea, Republic of)

    2012-07-15

    The effect substitution of Ti{sup 4+} at the Fe{sup 3+} site in a CaFe{sub 2}O{sub 4{sup -}}MgFe{sub 2}O{sub 4} bulk hetero-junction (BH) lattice photocatalyst was explored and the Ti ion concentration was optimized to fabricate an efficient photocatalyst. A BH consisting of an optimum dopant concentration (Ti{sup +4}) level of x = 0.03 exhibited an increased band gap and generated a 1.5 times higher photocurrent. The newly fabricated Ti ion doped photocatalyst showed an enhanced quantum yield (up to ∼13.3%) for photodecomposition of a H{sub 2}O-CH{sub 3}OH mixture, as compared to its undoped BH counterpart under visible light (λ ≥ 420 nm). In contrast, the material doped with a very high Ti-dopant concentration displayed deteriorated photochemical properties. An efficient charge-separation induced by Ti-ion doping seems to be responsible for the higher photocatalytic activity in a doped bulk BH.

  3. Effect of Sintering Time and Diameter on Bi-Pb-Sr-Ca-Cu-O Superconducting Wire Formation with TiO2 Dopant by Silver (Ag Tube

    Directory of Open Access Journals (Sweden)

    Cindy Al Kindi

    2018-01-01

    Full Text Available Pengaruh waktu sintering dan diameter terhadap pembentukan kawat superkonduktor Bi-Pb-Sr-Ca-Cu-O dengan dopan TiO2 menggunakan tabung perak (Ag menjadi penting untuk dibahas karena hal ini berpengaruh terhadap adanya suhu kritis yang merupakan syarat penting superkonduktor. Pada penelitian ini ada beberapa tahap yang dilakukan yaitu preparasi bahan, proses permesinan, penarikan kawat dan proses perlakuan panas. Serbuk BPSCCO dengan dopan TiO2 dimasukkan ke dalam tabung perak (Ag dan dikalsinasi pada temperatur 820oC selama 20 jam, lalu proses penarikan (Rolling sampai diameter 6 mm dan 2,6 mm serta sintering dilakukan pada temperatur 850oC selama 9 jam dan 30 jam untuk masing-masing ukuran diameter dengan dua kali proses sintering. Hasil penelitian menunjukkan bahwa kawat superkonduktor memiliki suhu kritis yaitu Tc onset = 99 K dan Tc zero = 70 K. Waktu yang sangat berpengaruh pada pembentukan fasa superkonduktor yaitu sintering selama 9 jam sedangkan untuk ukuran diameter kawat yang memiliki suhu kritis yaitu 6 mm, sedangkan waktu sintering selama 30 jam dapat merubah fasa BPSCCO sehingga tidak terbentuk superkonduktor melainkan konduktor dan semikonduktor. Pada diameter 2,6 mm belum menjadi ukuran yang tepat pada pembentukan kawat superkonduktor.   The influence of sintering time and diameter on the formation of Bi-Pb-Sr-Ca-Cu-O superconducting wire with doped TiO2 by silver (Ag tube becomes important to be discussed because of the presence of critical temperature which is an essential condition in superconductors. In this research there are several steps must be done that is: material preparation, machine process, wire drawing and heat process. BPSCCO powder with dopant TiO2 filled into silver (Ag tube with calcination temperature at 820oC for 20 h, then rolling process to diameter 6 mm and 2,6 mm with sintering temperature at 850oC for 9 h and 30 h for each size of diameter by twice sintering process. The results showed that

  4. Molybdenum Oxides - From Fundamentals to Functionality.

    Science.gov (United States)

    de Castro, Isabela Alves; Datta, Robi Shankar; Ou, Jian Zhen; Castellanos-Gomez, Andres; Sriram, Sharath; Daeneke, Torben; Kalantar-Zadeh, Kourosh

    2017-10-01

    The properties and applications of molybdenum oxides are reviewed in depth. Molybdenum is found in various oxide stoichiometries, which have been employed for different high-value research and commercial applications. The great chemical and physical characteristics of molybdenum oxides make them versatile and highly tunable for incorporation in optical, electronic, catalytic, bio, and energy systems. Variations in the oxidation states allow manipulation of the crystal structure, morphology, oxygen vacancies, and dopants, to control and engineer electronic states. Despite this overwhelming functionality and potential, a definitive resource on molybdenum oxide is still unavailable. The aim here is to provide such a resource, while presenting an insightful outlook into future prospective applications for molybdenum oxides. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. On the origin of near-IR luminescence in SiO{sub 2} glass with bismuth as the single dopant. Formation of the photoluminescent univalent bismuth silanolate by SiO{sub 2} surface modification

    Energy Technology Data Exchange (ETDEWEB)

    Romanov, A.N., E-mail: alexey.romanov@list.ru; Haula, E.V.; Shashkin, D.P.; Vtyurina, D.N.; Korchak, V.N.

    2017-03-15

    Near infrared photoluminescent bismuth(I) silanolate centers ((≡Si-O){sub 3}Si–O-Bi) were prepared on the surface of SiO{sub 2} xerogel, by the treatment in the vapors of bismuth(I) chloride. The optical properties of these groups are almost identical to that of photoluminescent centers in the bulk SiO{sub 2} glasses with bismuth as the single dopant. - Highlights: • univalent bismuth silanolate can be prepared on SiO{sub 2} surface by treatment in BiCl vapors. • univalent bismuth silanolate is responsible for NIR photoluminescence in Bi-doped SiO{sub 2} glass. • univalent bismuth silanolate is the active center in laser, operating on Bi-doped SiO{sub 2} fiber.

  6. Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-δ (x = 0.05–0.20) as a pigment

    KAUST Repository

    Stojmenović, Marija

    2015-07-31

    Ceramic pigments based on cerium oxide were synthesized by self–propagating room temperature method and their color properties were assessed from the viewpoint of potential environmentally nontoxic pink pigments. Thermal stabilities of the pigments were examined at 600, 900 and 1200 ºC. According to X–ray powder diffraction and Raman spectroscopy results, all obtained pigments were single–phase solid solutions of cerium oxide, independent of the concentration of dopants. The X–ray analysis showed that the crystallites were of nanometric dimensions, as recorded and by transmission electron microscopy analysis. Color characteristics of solid solutions, which depended on concentracion erbium ions and calcination temperature, and their position in the chromaticity diagram were studied by ultraviolet–visible spectrophotometry, which confirmed potential application of environmentally friendly pigments of desired color. The color efficiency of pigments was also evaluated by colorimetric analysis.

  7. Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-δ (x = 0.05–0.20) as a pigment

    KAUST Repository

    Stojmenović, Marija; Milenković, Maja C.; Banković, Predrag T.; Zunic, Milan; Gulicovski, Jelena J.; Pantić, Jelena R.; Bošković, Snežana B.

    2015-01-01

    Ceramic pigments based on cerium oxide were synthesized by self–propagating room temperature method and their color properties were assessed from the viewpoint of potential environmentally nontoxic pink pigments. Thermal stabilities of the pigments were examined at 600, 900 and 1200 ºC. According to X–ray powder diffraction and Raman spectroscopy results, all obtained pigments were single–phase solid solutions of cerium oxide, independent of the concentration of dopants. The X–ray analysis showed that the crystallites were of nanometric dimensions, as recorded and by transmission electron microscopy analysis. Color characteristics of solid solutions, which depended on concentracion erbium ions and calcination temperature, and their position in the chromaticity diagram were studied by ultraviolet–visible spectrophotometry, which confirmed potential application of environmentally friendly pigments of desired color. The color efficiency of pigments was also evaluated by colorimetric analysis.

  8. Remarkable Enhancement of the Hole Mobility in Several Organic Small-Molecules, Polymers, and Small-Molecule:Polymer Blend Transistors by Simple Admixing of the Lewis Acid p-Dopant B(C6F5)3.

    Science.gov (United States)

    Panidi, Julianna; Paterson, Alexandra F; Khim, Dongyoon; Fei, Zhuping; Han, Yang; Tsetseris, Leonidas; Vourlias, George; Patsalas, Panos A; Heeney, Martin; Anthopoulos, Thomas D

    2018-01-01

    Improving the charge carrier mobility of solution-processable organic semiconductors is critical for the development of advanced organic thin-film transistors and their application in the emerging sector of printed electronics. Here, a simple method is reported for enhancing the hole mobility in a wide range of organic semiconductors, including small-molecules, polymers, and small-molecule:polymer blends, with the latter systems exhibiting the highest mobility. The method is simple and relies on admixing of the molecular Lewis acid B(C 6 F 5 ) 3 in the semiconductor formulation prior to solution deposition. Two prototypical semiconductors where B(C 6 F 5 ) 3 is shown to have a remarkable impact are the blends of 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene:poly(triarylamine) (diF-TESADT:PTAA) and 2,7-dioctyl[1]-benzothieno[3,2-b][1]benzothiophene:poly(indacenodithiophene-co-benzothiadiazole) (C8-BTBT:C16-IDTBT), for which hole mobilities of 8 and 11 cm 2 V -1 s -1 , respectively, are obtained. Doping of the 6,13-bis(triisopropylsilylethynyl)pentacene:PTAA blend with B(C 6 F 5 ) 3 is also shown to increase the maximum hole mobility to 3.7 cm 2 V -1 s -1 . Analysis of the single and multicomponent materials reveals that B(C 6 F 5 ) 3 plays a dual role, first acting as an efficient p-dopant, and secondly as a microstructure modifier. Semiconductors that undergo simultaneous p-doping and dopant-induced long-range crystallization are found to consistently outperform transistors based on the pristine materials. Our work underscores Lewis acid doping as a generic strategy towards high performance printed organic microelectronics.

  9. Remarkable Enhancement of the Hole Mobility in Several Organic Small-Molecules, Polymers, and Small-Molecule:Polymer Blend Transistors by Simple Admixing of the Lewis Acid p-Dopant B(C6F5)3

    KAUST Repository

    Panidi, Julianna; Paterson, Alexandra F.; Khim, Dongyoon; Fei, Zhuping; Han, Yang; Tsetseris, Leonidas; Vourlias, George; Patsalas, Panos A.; Heeney, Martin; Anthopoulos, Thomas D.

    2017-01-01

    Improving the charge carrier mobility of solution-processable organic semiconductors is critical for the development of advanced organic thin-film transistors and their application in the emerging sector of printed electronics. Here, a simple method is reported for enhancing the hole mobility in a wide range of organic semiconductors, including small-molecules, polymers, and small-molecule:polymer blends, with the latter systems exhibiting the highest mobility. The method is simple and relies on admixing of the molecular Lewis acid B(C6F5)(3) in the semiconductor formulation prior to solution deposition. Two prototypical semiconductors where B(C6F5)(3) is shown to have a remarkable impact are the blends of 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene:poly(triarylamine) (diF-TESADT:PTAA) and 2,7-dioctyl[1]-benzothieno[3,2-b][1]benzothiophene:poly(indacenodithiophene-co-benzothiadiazole) (C8-BTBT:C16-IDTBT), for which hole mobilities of 8 and 11 cm(2) V-1 s(-1), respectively, are obtained. Doping of the 6,13-bis(triisopropylsilylethynyl)pentacene:PTAA blend with B(C6F5)(3) is also shown to increase the maximum hole mobility to 3.7 cm(2) V-1 s(-1). Analysis of the single and multicomponent materials reveals that B(C6F5)(3) plays a dual role, first acting as an efficient p-dopant, and secondly as a microstructure modifier. Semiconductors that undergo simultaneous p-doping and dopant-induced long-range crystallization are found to consistently outperform transistors based on the pristine materials. Our work underscores Lewis acid doping as a generic strategy towards high performance printed organic microelectronics.

  10. Remarkable Enhancement of the Hole Mobility in Several Organic Small-Molecules, Polymers, and Small-Molecule:Polymer Blend Transistors by Simple Admixing of the Lewis Acid p-Dopant B(C6F5)3

    KAUST Repository

    Panidi, Julianna

    2017-10-05

    Improving the charge carrier mobility of solution-processable organic semiconductors is critical for the development of advanced organic thin-film transistors and their application in the emerging sector of printed electronics. Here, a simple method is reported for enhancing the hole mobility in a wide range of organic semiconductors, including small-molecules, polymers, and small-molecule:polymer blends, with the latter systems exhibiting the highest mobility. The method is simple and relies on admixing of the molecular Lewis acid B(C6F5)(3) in the semiconductor formulation prior to solution deposition. Two prototypical semiconductors where B(C6F5)(3) is shown to have a remarkable impact are the blends of 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene:poly(triarylamine) (diF-TESADT:PTAA) and 2,7-dioctyl[1]-benzothieno[3,2-b][1]benzothiophene:poly(indacenodithiophene-co-benzothiadiazole) (C8-BTBT:C16-IDTBT), for which hole mobilities of 8 and 11 cm(2) V-1 s(-1), respectively, are obtained. Doping of the 6,13-bis(triisopropylsilylethynyl)pentacene:PTAA blend with B(C6F5)(3) is also shown to increase the maximum hole mobility to 3.7 cm(2) V-1 s(-1). Analysis of the single and multicomponent materials reveals that B(C6F5)(3) plays a dual role, first acting as an efficient p-dopant, and secondly as a microstructure modifier. Semiconductors that undergo simultaneous p-doping and dopant-induced long-range crystallization are found to consistently outperform transistors based on the pristine materials. Our work underscores Lewis acid doping as a generic strategy towards high performance printed organic microelectronics.

  11. Potential rare-earth modified CeO{sub 2} catalysts for soot oxidation. Part III. Effect of dopant loading and calcination temperature on catalytic activity with O{sub 2} and NO + O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Krishna, K.; Bueno-Lopez, A.; Makkee, M.; Moulijn, J.A. [Catalysis Engineering, DelftChemTech, Delft University of Technology, Julianalaan 136, NL 2628 BL Delft (Netherlands)

    2007-09-26

    CeO{sub 2} and CeReO{sub xy} catalysts are prepared by the calcination at different temperatures (y = 500-1000 C) and having a different composition (Re = La{sup 3+} or Pr{sup 3+/4+}{sub ,} 0-90 wt.%). The catalysts are characterised by XRD, H{sub 2}-TPR, Raman, and BET surface area. The soot oxidation is studied with O{sub 2} and NO + O{sub 2} in the tight and loose contact conditions, respectively. CeO{sub 2} sinters between 800-900 C due to a grain growth, leading to an increased crystallite size and a decreased BET surface area. La{sup 3+} or Pr{sup 3+/4+} hinders the grain growth of CeO{sub 2} and, thereby, improving the surface catalytic properties. Using O{sub 2} as an oxidant, an improved soot oxidation is observed over CeLaO{sub xy} and CePrO{sub xy} in the whole dopant weight loading and calcination temperature range studied, compared with CeO{sub 2}. Using NO + O{sub 2}, the soot conversion decreased over CeLaO{sub xy} catalysts calcined below 800 C compared with the soot oxidation over CeO{sub 2y}. CePrO{sub xy}, on the other hand, showed a superior soot oxidation activity in the whole composition and calcination temperature range using NO + O{sub 2}. The improvement in the soot oxidation activity over the various catalysts with O{sub 2} can be explained based on an improvement in the external surface area. The superior soot oxidation activity of CePrO{sub xy} with NO + O{sub 2} is explained by the changes in the redox properties of the catalyst as well as surface area. CePrO{sub xy}, having 50 wt.% of dopant, is found to be the best catalyst due to synergism between cerium and praseodymium compared to pure components. NO into NO{sub 2} oxidation activity, that determines soot oxidation activity, is improved over all CePrO{sub x} catalysts. (author)

  12. Effects of Ca-dopant on the pyroelectric, piezoelectric and dielectric properties of (Sr 0.6Ba 0.4) 4Na 2Nb 10O 30 ceramics

    KAUST Repository

    Yao, Yingbang

    2012-12-01

    Calcium-doped sodium strontium barium niobate (SBNN, (Sr 0.6Ba 0.4) 4-xCa xNa 2Nb 10O 30, 0 ≤ x ≤ 0.5) ceramics were prepared by a conventional solid-state reaction method. SBNN showed \\'filled\\' tetragonal tungsten-bronze structure with fully occupied A-sites. The tetragonal structure, as revealed by X-ray diffraction (XRD) and Raman spectroscopy, was not affected by the Ca-dopant. Effects of Ca-doping concentration on the phase transitions as well as ferroelectric, piezoelectric and pyroelectric properties of the SBNN ceramics were investigated. From the dielectric studies, two anomalies were observed, namely, a sharp normal ferroelectric transition at 260 °C and a broad maximum at round -110 °C. The later was affected by the Ca-doping concentration and its origin was discussed. At x = 0.3, the sample exhibited the highest pyroelectric coefficient of 168 μC/m 2 K and the largest piezoelectric coefficient (d 33) of 63 pC/N at room temperature. On the basis of our results, the pyroelectric properties of the SBNN were improved by Ca-doping. © 2012 Elsevier B.V. All rights reserved.

  13. Enhanced piezo-humidity sensing of a Cd-ZnO nanowire nanogenerator as a self-powered/active gas sensor by coupling the piezoelectric screening effect and dopant displacement mechanism.

    Science.gov (United States)

    Yu, Binwei; Fu, Yongming; Wang, Penglei; Zhao, Yayu; Xing, Lili; Xue, Xinyu

    2015-04-28

    Highly sensitive humidity sensing has been realized from a Cd-doped ZnO nanowire (NW) nanogenerator (NG) as a self-powered/active gas sensor. The piezoelectric output of the device acts not only as a power source, but also as a response signal to the relative humidity (RH) in the environment. The response of Cd-ZnO (1 : 10) NWs reached up to 85.7 upon exposure to 70% relative humidity, much higher than that of undoped ZnO NWs. Cd dopant can increase the number of oxygen vacancies in the NWs, resulting in more adsorption sites on the surface of the NWs. Upon exposure to a humid environment, a large amount of water molecules can displace the adsorbed oxygen ions on the surface of Cd-ZnO NWs. This procedure can influence the carrier density in Cd-ZnO NWs and vary the screening effect on the piezoelectric output. Our study can stimulate a research trend on exploring composite materials for piezo-gas sensing.

  14. n-type dopants in (001) β-Ga2O3 grown on (001) β-Ga2O3 substrates by plasma-assisted molecular beam epitaxy

    Science.gov (United States)

    Han, Sang-Heon; Mauze, Akhil; Ahmadi, Elaheh; Mates, Tom; Oshima, Yuichi; Speck, James S.

    2018-04-01

    Ge and Sn as n-type dopants in (001) β-Ga2O3 films were investigated using plasma-assisted molecular beam epitaxy. The Ge concentration showed a strong dependence on the growth temperature, whereas the Sn concentration remains independent of the growth temperature. The maximum growth temperature at which a wide range of Ge concentrations (from 1017 to 1020 cm-3) could be achieved was 675 °C while the same range of Sn concentration could be achieved at growth temperature of 750 °C. Atomic force microscopy results revealed that higher growth temperature shows better surface morphology. Therefore, our study reveals a tradeoff between higher Ge doping concentration and high quality surface morphology on (001) β-Ga2O3 films grown by plasma-assisted molecular beam epitaxy. The Ge doped films had an electron mobility of 26.3 cm2 V-1 s-1 at the electron concentration of 6.7 × 1017 cm-3 whereas the Sn doped films had an electron mobility of 25.3 cm2 V-1 s-1 at the electron concentration of 1.1 × 1018 cm-3.

  15. Effects of Ca-dopant on the pyroelectric, piezoelectric and dielectric properties of (Sr 0.6Ba 0.4) 4Na 2Nb 10O 30 ceramics

    KAUST Repository

    Yao, Yingbang; Mak, C. L.

    2012-01-01

    Calcium-doped sodium strontium barium niobate (SBNN, (Sr 0.6Ba 0.4) 4-xCa xNa 2Nb 10O 30, 0 ≤ x ≤ 0.5) ceramics were prepared by a conventional solid-state reaction method. SBNN showed 'filled' tetragonal tungsten-bronze structure with fully occupied A-sites. The tetragonal structure, as revealed by X-ray diffraction (XRD) and Raman spectroscopy, was not affected by the Ca-dopant. Effects of Ca-doping concentration on the phase transitions as well as ferroelectric, piezoelectric and pyroelectric properties of the SBNN ceramics were investigated. From the dielectric studies, two anomalies were observed, namely, a sharp normal ferroelectric transition at 260 °C and a broad maximum at round -110 °C. The later was affected by the Ca-doping concentration and its origin was discussed. At x = 0.3, the sample exhibited the highest pyroelectric coefficient of 168 μC/m 2 K and the largest piezoelectric coefficient (d 33) of 63 pC/N at room temperature. On the basis of our results, the pyroelectric properties of the SBNN were improved by Ca-doping. © 2012 Elsevier B.V. All rights reserved.

  16. Density functional theory study of Al-doped hematite

    International Nuclear Information System (INIS)

    Rivera, Richard; Stashans, Arvids; Piedra, Lorena; Pinto, Henry P

    2012-01-01

    Using first-principles density functional theory calculations within the generalized gradient approximation (GGA) as well as the GGA+U approach, we study Al-doped α-Fe 2 O 3 crystals. Structural, electronic, magnetic and optical properties due to impurity incorporation have been investigated and discussed in detail. Atomic displacements and Bader charges on atoms have been computed, showing that Al dopant converts the chemical bonding in its neighbourhood into a more ionic one. This work enhances our knowledge about how a crystalline lattice reacts in the presence of an Al impurity. It was found that Al incorporation produces some local changes in the band structure of the material without the creation of local energy levels within the band gap. The results provide evidence for changes in the magnetic moments in the vicinity of a defect, which means that α-Fe 2 O 3 doped with aluminum might not act as an antiferromagnetic substance.

  17. Rare earth substitutional impurities in germanium: A hybrid density functional theory study

    Science.gov (United States)

    Igumbor, E.; Omotoso, E.; Tunhuma, S. M.; Danga, H. T.; Meyer, W. E.

    2017-10-01

    The Heyd, Scuseria, and Ernzerhof (HSE06) hybrid functional by means of density functional theory has been used to model the electronic and structural properties of rare earth (RE) substitutional impurities in germanium (REGe) . The formation and charge state transition energies for the REGe (RE = Ce, Pr, Er and Eu) were calculated. The energy of formation for the neutral charge state of the REGe lies between -0.14 and 3.13 eV. The formation energy result shows that the Pr dopant in Ge (PrGe) has the lowest formation energy of -0.14 eV, and is most energetically favourable under equilibrium conditions. The REGe induced charge state transition levels within the band gap of Ge. Shallow acceptor levels were induced by both the Eu (EuGe) and Pr (PrGe) dopants in Ge. The CeGe and ErGe exhibited properties of negative-U ordering with effective-U values of -0.85 and -1.07 eV, respectively.

  18. Electronic conductivity of Ce(0.9)Gd(0.1)O(1.95-δ) and Ce(0.8)Pr(0.2)O(2-δ): Hebb-Wagner polarisation in the case of redox active dopants and interference

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos; Hendriksen, Peter Vang

    2011-01-01

    of the steady state I-V curve from the standard Hebb-Wagner equation was observed for the case of Ce(0.8)Pr(0.2)O(2-δ). It is shown that the I-V curve can be successfully reproduced when the presence of the redox active dopant, Pr(3+)/Pr(4+), is taken into account, whereas even better agreement can be reached...

  19. New Layered Materials and Functional Nanoelectronic Devices

    Science.gov (United States)

    Yu, Jaeeun

    This thesis introduces functional nanomaterials including superatoms and carbon nanotubes (CNTs) for new layered solids and molecular devices. Chapters 1-3 present how we incorporate superatoms into two-dimensional (2D) materials. Chapter 1 describes a new and simple approach to dope transition metal dichalcogenides (TMDCs) using the superatom Co6Se8(PEt3)6 as the electron dopant. Doping is an effective method to modulate the electrical properties of materials, and we demonstrate an electron-rich cluster can be used as a tunable and controllable surface dopant for semiconducting TMDCs via charge transfer. As a demonstration of the concept, we make a p-n junction by patterning on specific areas of TMDC films. Chapter 2 and Chapter 3 introduce new 2D materials by molecular design of superatoms. Traditional atomic van der Waals materials such as graphene, hexagonal boron-nitride, and TMDCs have received widespread attention due to the wealth of unusual physical and chemical behaviors that arise when charges, spins, and vibrations are confined to a plane. Though not as widespread as their atomic counterparts, molecule-based layered solids offer significant benefits; their structural flexibility will enable the development of materials with tunable properties. Chapter 2 describes a layered van der Waals solid self-assembled from a structure-directing building block and C60 fullerene. The resulting crystalline solid contains a corrugated monolayer of neutral fullerenes and can be mechanically exfoliated. Chapter 3 describes a new method to functionalize electroactive superatoms with groups that can direct their assembly into covalent and non-covalent multi-dimensional frameworks. We synthesized Co6Se8[PEt2(4-C6H4COOH)]6 and found that it forms two types of crystalline assemblies with Zn(NO3)2, one is a three-dimensional solid and the other consists of stacked layers of two-dimensional sheets. The dimensionality is controlled by subtle changes in reaction conditions. CNT

  20. The role of electronic dopant on full band in-plane RKKY coupling in armchair graphene nanoribbons-magnetic impurity system

    Science.gov (United States)

    Hoi, Bui Dinh; Yarmohammadi, Mohsen

    2018-05-01

    Motivated by the growing interest in solving the obstacles of spintronics applications, we study the Ruderman-Kittel-Kasuya-Yosida (RKKY) effective pairwise interaction between magnetic impurities interacting through the π -electrons embedded in both electronically doped-semiconducting and metallic armchair graphene nanoribbons. In terms of the Green's function formalism, treated in a tight-binding approximation with hopping beyond Dirac cone approximation, the RKKY coupling is an attraction or a repulsion depending on the magnetic impurities distances. Our results show that the RKKY coupling in semiconducting nanoribbons is much more affected by doping than metallic ones. Furthermore, we found that the RKKY coupling increases with ribbon width, while there exist some critical electronic concentrations in RKKY interaction oscillations. On the other hand, we find an unusual incoming wave-vector direction for electrons which describes more clearly the ferro- and antiferromagnetic spin configurations in such system. Also, the RKKY coupling at low and high-temperature regions has been addressed for both ferro- and antiferromagnetic spin arrangements.

  1. Capability of parasulfonato calix[6]arene, as an anion dopant, and organic solvents in enhancing the sensitivity and loading of glucose oxidase (GOx) on polypyrrole film in a biosensor: a comparative study.

    Science.gov (United States)

    Safarnavadeh, Vahideh; Zare, Karim; Fakhari, Ali Reza

    2013-11-15

    In this study, the effects of two solvents (acetonitrile and water) and an anion dopant (para sulfonato calix[6]arene ((C[6]S)(-6))), on the manufacturing and properties of a polypyrrole (Ppy)-based, glucose oxidase amperometric biosensor were studied. Pyrrole was polymerized using galvanostatic mode in two different solvents, and the effect of (C[6]S)(-6) was studied in aqueous solution. The morphology of the obtained polypyrrole films was studied by scanning electron microscopy (SEM). Glucose oxidase (GOx) was adsorbed on the Ppy films via cross-linking method. Then the amperometric responses of the Pt/Ppy/GOx electrodes were measured using the amperometric method at the potential of 0.7 V in steps of adding a glucose solution to a potassium phosphate buffer. We found that acetonitrile and (C[6]S)(-6) increase the sensitivity of the enzyme electrode up to 79.30 µA M(-1)cm(-2) in comparison with 31.60 μA M(-1)cm(-2) for the electrode synthesized in calixarene free aqueous solvent. Also (C[6]S)(-6) has the main role in preventing leaching the enzyme from the electrode. This fact increases loading of the enzyme and stability of the biosensor. So that the steady state current density of the aforementioned electrode increases linearly with increasing glucose concentration up to 190 mM. Whereas the linearity was observed up to 61 mM and 80 mM for the electrodes made using calixarene free acetonitrile and aqueous solutions, respectively. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Remarkable Enhancement of the Hole Mobility in Several Organic Small‐Molecules, Polymers, and Small‐Molecule:Polymer Blend Transistors by Simple Admixing of the Lewis Acid p‐Dopant B(C6F5)3

    Science.gov (United States)

    Panidi, Julianna; Paterson, Alexandra F.; Khim, Dongyoon; Fei, Zhuping; Han, Yang; Tsetseris, Leonidas; Vourlias, George; Patsalas, Panos A.; Heeney, Martin

    2017-01-01

    Abstract Improving the charge carrier mobility of solution‐processable organic semiconductors is critical for the development of advanced organic thin‐film transistors and their application in the emerging sector of printed electronics. Here, a simple method is reported for enhancing the hole mobility in a wide range of organic semiconductors, including small‐molecules, polymers, and small‐molecule:polymer blends, with the latter systems exhibiting the highest mobility. The method is simple and relies on admixing of the molecular Lewis acid B(C6F5)3 in the semiconductor formulation prior to solution deposition. Two prototypical semiconductors where B(C6F5)3 is shown to have a remarkable impact are the blends of 2,8‐difluoro‐5,11‐bis(triethylsilylethynyl)anthradithiophene:poly(triarylamine) (diF‐TESADT:PTAA) and 2,7‐dioctyl[1]‐benzothieno[3,2‐b][1]benzothiophene:poly(indacenodithiophene‐co‐benzothiadiazole) (C8‐BTBT:C16‐IDTBT), for which hole mobilities of 8 and 11 cm2 V−1 s−1, respectively, are obtained. Doping of the 6,13‐bis(triisopropylsilylethynyl)pentacene:PTAA blend with B(C6F5)3 is also shown to increase the maximum hole mobility to 3.7 cm2 V−1 s−1. Analysis of the single and multicomponent materials reveals that B(C6F5)3 plays a dual role, first acting as an efficient p‐dopant, and secondly as a microstructure modifier. Semiconductors that undergo simultaneous p‐doping and dopant‐induced long‐range crystallization are found to consistently outperform transistors based on the pristine materials. Our work underscores Lewis acid doping as a generic strategy towards high performance printed organic microelectronics. PMID:29375962

  3. Mid-temperature deep removal of hydrogen sulfide on rare earth (RE = Ce, La, Sm, Gd) doped ZnO supported on KIT-6: Effect of RE dopants and interaction between active phase and support matrix

    Science.gov (United States)

    Li, Lu; Zhou, Pin; Zhang, Hongbo; Meng, Xianglong; Li, Juexiu; Sun, Tonghua

    2017-06-01

    Rare earth oxides (RE = Ce, La, Sm and Gd) doped ZnO supported on KIT-6 sorbents (RE-ZnO/KIT-6) were synthesized by sol-gel method and their performance for deep removal of H2S (bellow 0.1 ppmv) from gas stream at medium temperature was tested. The RE dopants (except Ce) significantly enhance the deep desulfurization capacity of ZnO/KIT-6 sorbent and maintained higher sulfur uptake capacities upon multiple cycles of regeneration by a simple thermal oxidation in 10 v% of O2 in N2 atmosphere. The results of SAXS, XRD, N2 physisorption, TEM, FIIR, and XPS implied that the KIT-6 structure of loading metal oxides remained intact. It was found that RE could hinder the ZnO crystal ripening during calcination resulted in smaller ZnO particles, enhance the interaction of ZnO and silica matrix to improve the dispersion of active phase on KIT-6. Furthermore, by increasing the outlayer electron density of Zn atom and oxygen transfer ability, the synergistic effect considered to be favorable for RE-ZnO/KIT-6 sulfidation. Even though the performance of improving ZnO dispersion was weaker than that of Sm and Gd, La-ZnO/KIT-6 performs the best deep desulfurizers by changing the surface chemical atmosphere for ZnO. Steam in the gas stream inhibited the capture of H2S by ZnO in the sorbents, in the case of La-ZnO/KIT-6, the steam content should control as lower as 5 v% to ensure the desulfurization efficiency and precision.

  4. Density functional theory study for the enhanced sulfur tolerance of Ni catalysts by surface alloying

    Science.gov (United States)

    Hwang, Bohyun; Kwon, Hyunguk; Ko, Jeonghyun; Kim, Byung-Kook; Han, Jeong Woo

    2018-01-01

    Sulfur compounds in fuels deactivate the surface of anode materials in solid oxide fuel cells (SOFCs), which adversely affect the long-term durability. To solve this issue, it is important to design new SOFC anode materials with high sulfur tolerance. Unfortunately, it is difficult to completely replace the traditional Ni anode owing to its outstanding reactivity with low cost. As an alternative, alloying Ni with transition metals is a practical strategy to enhance the sulfur resistance while taking advantage of Ni metal. Therefore, in this study, we examined the effects of transition metal (Cu, Rh, Pd, Ag, Pt, and Au) doping into a Ni catalyst on not only the adsorption of H2S, HS, S, and H but also H2S decomposition using density functional theory (DFT) calculations. The dopant metals were selected rationally by considering the stability of the Ni-based binary alloys. The interactions between sulfur atoms produced by H2S dissociation and the surface are weakened by the dopant metals at the topmost layer. In addition, the findings show that H2S dissociation can be suppressed by doping transition metals. It turns out that these effects are maximized in the Au-doped Ni catalyst. Our DFT results will provide useful insights into the design of sulfur-tolerant SOFC anode materials.

  5. Generalized functions

    CERN Document Server

    Gelfand, I M; Graev, M I; Vilenkin, N Y; Pyatetskii-Shapiro, I I

    Volume 1 is devoted to basics of the theory of generalized functions. The first chapter contains main definitions and most important properties of generalized functions as functional on the space of smooth functions with compact support. The second chapter talks about the Fourier transform of generalized functions. In Chapter 3, definitions and properties of some important classes of generalized functions are discussed; in particular, generalized functions supported on submanifolds of lower dimension, generalized functions associated with quadratic forms, and homogeneous generalized functions are studied in detail. Many simple basic examples make this book an excellent place for a novice to get acquainted with the theory of generalized functions. A long appendix presents basics of generalized functions of complex variables.

  6. Cirrus Dopant Nano-Composite Coatings

    Science.gov (United States)

    2014-11-01

    coatings without alteration to the existing plating process. Glen Slater, Cirrus Materials | Stephen Flint, Auckland UniServices Ltd Report...ADDRESS(ES) University of Auckland ,Cirrus Materials, Auckland , New Zealand, 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY...JiA/ g THE UNIVERSITY ’-" OF AUCKLAND NEW ZEALAND Te Whare Wanan a o Thmaki Makaurau ~"""’ • ........,." ... Southwest Pacific Basin . p

  7. Mid-temperature deep removal of hydrogen sulfide on rare earth (RE = Ce, La, Sm, Gd) doped ZnO supported on KIT-6: Effect of RE dopants and interaction between active phase and support matrix

    Energy Technology Data Exchange (ETDEWEB)

    Li, Lu; Zhou, Pin; Zhang, Hongbo; Meng, Xianglong; Li, Juexiu; Sun, Tonghua, E-mail: sunth@sjtu.edu.cn

    2017-06-15

    Highlights: • Various rare earth (RE)-doped ZnO/KIT-6 sorbents were prepared via sol-gel method. • La showed the highest efficiency on promoting ZnO/KIT-6 desulfurization activity. • The morphology of ZnO on KIT-6 played a crucial role for the reactivity. • The most initial factor of improving reactivity by RE was surface chemical property. • Crystallinity, host-guest interaction were also important to ZnO state on support. - Abstract: Rare earth oxides (RE = Ce, La, Sm and Gd) doped ZnO supported on KIT-6 sorbents (RE-ZnO/KIT-6) were synthesized by sol-gel method and their performance for deep removal of H{sub 2}S (bellow 0.1 ppmv) from gas stream at medium temperature was tested. The RE dopants (except Ce) significantly enhance the deep desulfurization capacity of ZnO/KIT-6 sorbent and maintained higher sulfur uptake capacities upon multiple cycles of regeneration by a simple thermal oxidation in 10 v% of O{sub 2} in N{sub 2} atmosphere. The results of SAXS, XRD, N{sub 2} physisorption, TEM, FIIR, and XPS implied that the KIT-6 structure of loading metal oxides remained intact. It was found that RE could hinder the ZnO crystal ripening during calcination resulted in smaller ZnO particles, enhance the interaction of ZnO and silica matrix to improve the dispersion of active phase on KIT-6. Furthermore, by increasing the outlayer electron density of Zn atom and oxygen transfer ability, the synergistic effect considered to be favorable for RE-ZnO/KIT-6 sulfidation. Even though the performance of improving ZnO dispersion was weaker than that of Sm and Gd, La-ZnO/KIT-6 performs the best deep desulfurizers by changing the surface chemical atmosphere for ZnO. Steam in the gas stream inhibited the capture of H{sub 2}S by ZnO in the sorbents, in the case of La-ZnO/KIT-6, the steam content should control as lower as 5 v% to ensure the desulfurization efficiency and precision.

  8. Mid-temperature deep removal of hydrogen sulfide on rare earth (RE = Ce, La, Sm, Gd) doped ZnO supported on KIT-6: Effect of RE dopants and interaction between active phase and support matrix

    International Nuclear Information System (INIS)

    Li, Lu; Zhou, Pin; Zhang, Hongbo; Meng, Xianglong; Li, Juexiu; Sun, Tonghua

    2017-01-01

    Highlights: • Various rare earth (RE)-doped ZnO/KIT-6 sorbents were prepared via sol-gel method. • La showed the highest efficiency on promoting ZnO/KIT-6 desulfurization activity. • The morphology of ZnO on KIT-6 played a crucial role for the reactivity. • The most initial factor of improving reactivity by RE was surface chemical property. • Crystallinity, host-guest interaction were also important to ZnO state on support. - Abstract: Rare earth oxides (RE = Ce, La, Sm and Gd) doped ZnO supported on KIT-6 sorbents (RE-ZnO/KIT-6) were synthesized by sol-gel method and their performance for deep removal of H 2 S (bellow 0.1 ppmv) from gas stream at medium temperature was tested. The RE dopants (except Ce) significantly enhance the deep desulfurization capacity of ZnO/KIT-6 sorbent and maintained higher sulfur uptake capacities upon multiple cycles of regeneration by a simple thermal oxidation in 10 v% of O 2 in N 2 atmosphere. The results of SAXS, XRD, N 2 physisorption, TEM, FIIR, and XPS implied that the KIT-6 structure of loading metal oxides remained intact. It was found that RE could hinder the ZnO crystal ripening during calcination resulted in smaller ZnO particles, enhance the interaction of ZnO and silica matrix to improve the dispersion of active phase on KIT-6. Furthermore, by increasing the outlayer electron density of Zn atom and oxygen transfer ability, the synergistic effect considered to be favorable for RE-ZnO/KIT-6 sulfidation. Even though the performance of improving ZnO dispersion was weaker than that of Sm and Gd, La-ZnO/KIT-6 performs the best deep desulfurizers by changing the surface chemical atmosphere for ZnO. Steam in the gas stream inhibited the capture of H 2 S by ZnO in the sorbents, in the case of La-ZnO/KIT-6, the steam content should control as lower as 5 v% to ensure the desulfurization efficiency and precision.

  9. Functional Boxplots

    KAUST Repository

    Sun, Ying

    2011-01-01

    This article proposes an informative exploratory tool, the functional boxplot, for visualizing functional data, as well as its generalization, the enhanced functional boxplot. Based on the center outward ordering induced by band depth for functional data, the descriptive statistics of a functional boxplot are: the envelope of the 50% central region, the median curve, and the maximum non-outlying envelope. In addition, outliers can be detected in a functional boxplot by the 1.5 times the 50% central region empirical rule, analogous to the rule for classical boxplots. The construction of a functional boxplot is illustrated on a series of sea surface temperatures related to the El Niño phenomenon and its outlier detection performance is explored by simulations. As applications, the functional boxplot and enhanced functional boxplot are demonstrated on children growth data and spatio-temporal U.S. precipitation data for nine climatic regions, respectively. This article has supplementary material online. © 2011 American Statistical Association.

  10. Orbit Functions

    Directory of Open Access Journals (Sweden)

    Anatoliy Klimyk

    2006-01-01

    Full Text Available In the paper, properties of orbit functions are reviewed and further developed. Orbit functions on the Euclidean space E_n are symmetrized exponential functions. The symmetrization is fulfilled by a Weyl group corresponding to a Coxeter-Dynkin diagram. Properties of such functions will be described. An orbit function is the contribution to an irreducible character of a compact semisimple Lie group G of rank n from one of its Weyl group orbits. It is shown that values of orbit functions are repeated on copies of the fundamental domain F of the affine Weyl group (determined by the initial Weyl group in the entire Euclidean space E_n. Orbit functions are solutions of the corresponding Laplace equation in E_n, satisfying the Neumann condition on the boundary of F. Orbit functions determine a symmetrized Fourier transform and a transform on a finite set of points.

  11. Functional displays

    International Nuclear Information System (INIS)

    Angelis De, F.; Haentjens, J.

    1995-01-01

    The Functional Displays are directly derived from the Man-Machine Design key document: Function-Based Task Analysis. The presentation defines and describes the goals-means structure of the plant function along with applicable control volumes and parameters of interest. The purpose of the subject is to show, through an example of a preliminary design, what the main parts of a function are. (3 figs.)

  12. Functional Programming

    OpenAIRE

    Chitil, Olaf

    2009-01-01

    Functional programming is a programming paradigm like object-oriented programming and logic programming. Functional programming comprises both a specific programming style and a class of programming languages that encourage and support this programming style. Functional programming enables the programmer to describe an algorithm on a high-level, in terms of the problem domain, without having to deal with machine-related details. A program is constructed from functions that only map inputs to ...

  13. Functionalized amphipols

    DEFF Research Database (Denmark)

    Della Pia, Eduardo Antonio; Hansen, Randi Westh; Zoonens, Manuela

    2014-01-01

    Amphipols are amphipathic polymers that stabilize membrane proteins isolated from their native membrane. They have been functionalized with various chemical groups in the past years for protein labeling and protein immobilization. This large toolbox of functionalized amphipols combined with their...... surfaces for various applications in synthetic biology. This review summarizes the properties of functionalized amphipols suitable for synthetic biology approaches....

  14. Lightness functions

    DEFF Research Database (Denmark)

    Campi, Stefano; Gardner, Richard; Gronchi, Paolo

    2012-01-01

    Variants of the brightness function of a convex body K in n-dimensional Euclidean are investigated. The Lambertian lightness function L(K; v , w ) gives the total reflected light resulting from illumination by a light source at infinity in the direction w that is visible when looking...... in the direction v . The partial brightness function R( K ; v , w ) gives the area of the projection orthogonal to v of the portion of the surface of K that is both illuminated by a light source from the direction w and visible when looking in the direction v . A class of functions called lightness functions...... is introduced that includes L(K;.) and R(K;.) as special cases. Much of the theory of the brightness function like uniqueness, stability, and the existence and properties of convex bodies of maximal and minimal volume with finitely many function values equal to those of a given convex body, is extended...

  15. Metal-functionalized silicene for efficient hydrogen storage.

    Science.gov (United States)

    Hussain, Tanveer; Chakraborty, Sudip; Ahuja, Rajeev

    2013-10-21

    First-principles calculations based on density functional theory are used to investigate the electronic structure along with the stability, bonding mechanism, band gap, and charge transfer of metal-functionalized silicene to envisage its hydrogen-storage capacity. Various metal atoms including Li, Na, K, Be, Mg, and Ca are doped into the most stable configuration of silicene. The corresponding binding energies and charge-transfer mechanisms are discussed from the perspective of hydrogen-storage compatibility. The Li and Na metal dopants are found to be ideally suitable, not only for strong metal-to-substrate binding and uniform distribution over the substrate, but also for the high-capacity storage of hydrogen. The stabilities of both Li- and Na-functionalized silicene are also confirmed through molecular dynamics simulations. It is found that both of the alkali metals, Li(+) and Na(+), can adsorb five hydrogen molecules, attaining reasonably high storage capacities of 7.75 and 6.9 wt %, respectively, with average adsorption energies within the range suitable for practical hydrogen-storage applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Enhanced performance of dye-sensitized solar cells based on organic dopant incorporated PVDF-HFP/PEO polymer blend electrolyte with g-C{sub 3}N{sub 4}/TiO{sub 2} photoanode

    Energy Technology Data Exchange (ETDEWEB)

    Senthil, R.A.; Theerthagiri, J. [Solar Energy Lab, Department of Chemistry, Thiruvalluvar University, Vellore 632115 (India); Madhavan, J., E-mail: jagan.madhavan@gmail.com [Solar Energy Lab, Department of Chemistry, Thiruvalluvar University, Vellore 632115 (India); Murugan, K. [Department of Zoology, Bharathiar University, Coimbatore 641046 (India); Arunachalam, Prabhakarn [Electrochemistry Research Group, Chemistry Department, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia); Arof, A.K. [Centre for Ionics University Malaya, Department of Physics, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2016-10-15

    successful attempt to provide a new pathway to enhance the performance of DSSCs. - Graphical abstract: In this study, the g-C{sub 3}N{sub 4} was synthesized from low cost urea and it was used as a precursor to synthesize of g-C{sub 3}N{sub 4}/TiO{sub 2} composite. The pure and 2-APY incorporated PVDF-HFP/PEO electrolytes were fabricated by solution casting method. A remarkably enhanced PCE of 4.73% was observed for 2-APY incorporated PVDF-HFP/PEO electrolyte with g-C{sub 3}N{sub 4}/TiO{sub 2} composite photoanode based DSSC. - Highlights: • 2-APY added PVDF-HFP/PEO electrolyte was prepared by solution casting method. • The g-C{sub 3}N{sub 4}/TiO{sub 2} composites were synthesized by wet-impregnation method. • DSSC with g-C{sub 3}N{sub 4}/TiO{sub 2} and 2-APY added electrolyte showed the efficiency of 4.73 %. • The g-C{sub 3}N{sub 4} and 2-APY can be a useful dopant to enhance the performance of DSSCs.

  17. Enhanced performance of dye-sensitized solar cells based on organic dopant incorporated PVDF-HFP/PEO polymer blend electrolyte with g-C3N4/TiO2 photoanode

    International Nuclear Information System (INIS)

    Senthil, R.A.; Theerthagiri, J.; Madhavan, J.; Murugan, K.; Arunachalam, Prabhakarn; Arof, A.K.

    2016-01-01

    4 was synthesized from low cost urea and it was used as a precursor to synthesize of g-C 3 N 4 /TiO 2 composite. The pure and 2-APY incorporated PVDF-HFP/PEO electrolytes were fabricated by solution casting method. A remarkably enhanced PCE of 4.73% was observed for 2-APY incorporated PVDF-HFP/PEO electrolyte with g-C 3 N 4 /TiO 2 composite photoanode based DSSC. - Highlights: • 2-APY added PVDF-HFP/PEO electrolyte was prepared by solution casting method. • The g-C 3 N 4 /TiO 2 composites were synthesized by wet-impregnation method. • DSSC with g-C 3 N 4 /TiO 2 and 2-APY added electrolyte showed the efficiency of 4.73 %. • The g-C 3 N 4 and 2-APY can be a useful dopant to enhance the performance of DSSCs.

  18. Functional analysis

    CERN Document Server

    Kantorovich, L V

    1982-01-01

    Functional Analysis examines trends in functional analysis as a mathematical discipline and the ever-increasing role played by its techniques in applications. The theory of topological vector spaces is emphasized, along with the applications of functional analysis to applied analysis. Some topics of functional analysis connected with applications to mathematical economics and control theory are also discussed. Comprised of 18 chapters, this book begins with an introduction to the elements of the theory of topological spaces, the theory of metric spaces, and the theory of abstract measure space

  19. Doping strategies to control A-centres in silicon: Insights from hybrid density functional theory

    KAUST Repository

    Wang, Hao; Chroneos, Alexander I.; Londos, Charalampos A.; Sgourou, Efstratia N.; Schwingenschlö gl, Udo

    2014-01-01

    Hybrid density functional theory is used to gain insights into the interaction of intrinsic vacancies (V) and oxygen-vacancy pairs (VO, known as A-centres) with the dopants (D) germanium (Ge), tin (Sn), and lead (Pb) in silicon (Si). We determine the structures as well as binding and formation energies of the DVO and DV complexes. The results are discussed in terms of the density of states and in view of the potential of isovalent doping to control A-centres in Si. We argue that doping with Sn is the most efficient isovalent doping strategy to suppress A-centres by the formation of SnVO complexes, as these are charge neutral and strongly bound. © 2014 the Owner Societies.

  20. Functional Boxplots

    KAUST Repository

    Sun, Ying; Genton, Marc G.

    2011-01-01

    data, the descriptive statistics of a functional boxplot are: the envelope of the 50% central region, the median curve, and the maximum non-outlying envelope. In addition, outliers can be detected in a functional boxplot by the 1.5 times the 50% central

  1. Functional coma.

    Science.gov (United States)

    Ludwig, L; McWhirter, L; Williams, S; Derry, C; Stone, J

    2016-01-01

    Functional coma - here defined as a prolonged motionless dissociative attack with absent or reduced response to external stimuli - is a relatively rare presentation. In this chapter we examine a wide range of terms used to describe states of unresponsiveness in which psychologic factors are relevant to etiology, such as depressive stupor, catatonia, nonepileptic "pseudostatus," and factitious disorders, and discuss the place of functional or psychogenic coma among these. Historically, diagnosis of functional coma has sometimes been reached after prolonged investigation and exclusion of other diagnoses. However, as is the case with other functional disorders, diagnosis should preferably be made on the basis of positive findings that provide evidence of inconsistency between an apparent comatose state and normal waking nervous system functioning. In our review of physical signs, we find some evidence for the presence of firm resistance to eye opening as reasonably sensitive and specific for functional coma, as well as the eye gaze sign, in which patients tend to look to the ground when turned on to one side. Noxious stimuli such as Harvey's sign (application of high-frequency vibrating tuning fork to the nasal mucosa) can also be helpful, although patients with this disorder are often remarkably unresponsive to usually painful stimuli, particularly as more commonly applied using sternal or nail bed pressure. The use of repeated painful stimuli is therefore not recommended. We also discuss the role of general anesthesia and other physiologic triggers to functional coma. © 2016 Elsevier B.V. All rights reserved.

  2. Rhinoplasty (Functional)

    Science.gov (United States)

    ... RESOURCES Medical Societies Patient Education About this Website Font Size + - Home > TREATMENTS > Rhinoplasty (Functional) Nasal/Sinus Irrigation ... performed to restore breathing, it typically necessitates some type of change to the appearance of the nose. ...

  3. Functional tremor.

    Science.gov (United States)

    Schwingenschuh, P; Deuschl, G

    2016-01-01

    Functional tremor is the commonest reported functional movement disorder. A confident clinical diagnosis of functional tremor is often possible based on the following "positive" criteria: a sudden tremor onset, unusual disease course, often with fluctuations or remissions, distractibility of the tremor if attention is removed from the affected body part, tremor entrainment, tremor variability, and a coactivation sign. Many patients show excessive exhaustion during examination. Other somatizations may be revealed in the medical history and patients may show additional functional neurologic symptoms and signs. In cases where the clinical diagnosis remains challenging, providing a "laboratory-supported" level of certainty aids an early positive diagnosis. In rare cases, in which the distinction from Parkinson's disease is difficult, dopamine transporter single-photon emission computed tomography (DAT-SPECT) can be indicated. © 2016 Elsevier B.V. All rights reserved.

  4. Cognitive Function

    Science.gov (United States)

    Because chemicals can adversely affect cognitive function in humans, considerable effort has been made to characterize their effects using animal models. Information from such models will be necessary to: evaluate whether chemicals identified as potentially neurotoxic by screenin...

  5. Functional unparsing

    DEFF Research Database (Denmark)

    Danvy, Olivier

    2000-01-01

    A string-formatting function such as printf in C seemingly requires dependent types, because its control string determines the rest of its arguments. Examples: formula here We show how changing the representation of the control string makes it possible to program printf in ML (which does not allow...... dependent types). The result is well typed and perceptibly more efficient than the corresponding library functions in Standard ML of New Jersey and in Caml....

  6. Functional Unparsing

    DEFF Research Database (Denmark)

    Danvy, Olivier

    1998-01-01

    A string-formatting function such as printf in C seemingly requires dependent types, because its control string determines the rest of its arguments. We show how changing the representation of the control string makes it possible to program printf in ML (which does not allow dependent types......). The result is well typed and perceptibly more efficient than the corresponding library functions in Standard ML of New Jersey and in Caml....

  7. Overlap functions

    Czech Academy of Sciences Publication Activity Database

    Bustince, H.; Fernández, J.; Mesiar, Radko; Montero, J.; Orduna, R.

    2010-01-01

    Roč. 72, 3-4 (2010), s. 1488-1499 ISSN 0362-546X R&D Projects: GA ČR GA402/08/0618 Institutional research plan: CEZ:AV0Z10750506 Keywords : t-norm * Migrative property * Homogeneity property * Overlap function Subject RIV: BA - General Mathematics Impact factor: 1.279, year: 2010 http://library.utia.cas.cz/separaty/2009/E/mesiar-overlap functions.pdf

  8. Bessel functions

    CERN Document Server

    Nambudiripad, K B M

    2014-01-01

    After presenting the theory in engineers' language without the unfriendly abstraction of pure mathematics, several illustrative examples are discussed in great detail to see how the various functions of the Bessel family enter into the solution of technically important problems. Axisymmetric vibrations of a circular membrane, oscillations of a uniform chain, heat transfer in circular fins, buckling of columns of varying cross-section, vibrations of a circular plate and current density in a conductor of circular cross-section are considered. The problems are formulated purely from physical considerations (using, for example, Newton's law of motion, Fourier's law of heat conduction electromagnetic field equations, etc.) Infinite series expansions, recurrence relations, manipulation of expressions involving Bessel functions, orthogonality and expansion in Fourier-Bessel series are also covered in some detail. Some important topics such as asymptotic expansions, generating function and Sturm-Lioville theory are r...

  9. Functional inequalities

    CERN Document Server

    Ghoussoub, Nassif

    2013-01-01

    The book describes how functional inequalities are often manifestations of natural mathematical structures and physical phenomena, and how a few general principles validate large classes of analytic/geometric inequalities, old and new. This point of view leads to "systematic" approaches for proving the most basic inequalities, but also for improving them, and for devising new ones--sometimes at will and often on demand. These general principles also offer novel ways for estimating best constants and for deciding whether these are attained in appropriate function spaces. As such, improvements of Hardy and Hardy-Rellich type inequalities involving radially symmetric weights are variational manifestations of Sturm's theory on the oscillatory behavior of certain ordinary differential equations. On the other hand, most geometric inequalities, including those of Sobolev and Log-Sobolev type, are simply expressions of the convexity of certain free energy functionals along the geodesics on the Wasserstein manifold of...

  10. Algebraic functions

    CERN Document Server

    Bliss, Gilbert Ames

    1933-01-01

    This book, immediately striking for its conciseness, is one of the most remarkable works ever produced on the subject of algebraic functions and their integrals. The distinguishing feature of the book is its third chapter, on rational functions, which gives an extremely brief and clear account of the theory of divisors.... A very readable account is given of the topology of Riemann surfaces and of the general properties of abelian integrals. Abel's theorem is presented, with some simple applications. The inversion problem is studied for the cases of genus zero and genus unity. The chapter on t

  11. Functional dyspepsia

    NARCIS (Netherlands)

    Kleibeuker, JH; Thijs, JC

    2004-01-01

    Purpose of review Functional dyspepsia is a common disorder, most of the time of unknown etiology and with variable pathophysiology. Therapy has been and still is largely empirical. Data from recent studies provide new clues for targeted therapy based on knowledge of etiology and pathophysiologic

  12. Mechanical behavior of tungsten–vanadium–lanthana alloys as function of temperature

    Energy Technology Data Exchange (ETDEWEB)

    Palacios, T., E-mail: teresa.palacios@mater.upm.es [Departamento de Ciencia de Materiales-CISDEM, Universidad Politécnica de Madrid, E.T.S.I. Caminos, Canales y Puertos, C/Professor Aranguren s/n, 28040 Madrid (Spain); Pastor, J.Y. [Departamento de Ciencia de Materiales-CISDEM, Universidad Politécnica de Madrid, E.T.S.I. Caminos, Canales y Puertos, C/Professor Aranguren s/n, 28040 Madrid (Spain); Aguirre, M.V. [Departamento de Tecnologías Especiales Aplicadas a la Aeronáutica, Universidad Politécnica de Madrid, E.I. Aeronáutica y del Espacio, 28040 Madrid (Spain); Martín, A. [Departamento de Ciencia de Materiales-CISDEM, Universidad Politécnica de Madrid, E.T.S.I. Caminos, Canales y Puertos, C/Professor Aranguren s/n, 28040 Madrid (Spain); Monge, M.A.; Muñóz, A.; Pareja, R. [Departamento de Física, Universidad Carlos III de Madrid, Leganés (Spain)

    2013-11-15

    The mechanical behavior of three tungsten (W) alloys with vanadium (V) and lanthana (La{sub 2}O{sub 3}) additions (W–4%V, W–1%La{sub 2}O{sub 3}, W–4%V–1%La{sub 2}O{sub 3}) processed by hot isostatic pressing (HIP) have been compared with pure-W to analyze the influence of the dopants. Mechanical characterization was performed by three point bending (TPB) tests in an oxidizing air atmosphere and temperature range between 77 (immersion tests in liquid nitrogen) and 1273 K, through which the fracture toughness, flexural strength, and yield strength as function of temperature were obtained. Results show that the V and La{sub 2}O{sub 3} additions improve the mechanical properties and oxidation behavior, respectively. Furthermore, a synergistic effect of both dopants results in an extraordinary increase of the flexure strength, fracture toughness and resistance to oxidation compared to pure-W, especially at higher temperatures. In addition, a new experimental method was developed to obtain a very small notch tip radius (around 5–7 μm) and much more similar to a crack through the use of a new machined notch. The fracture toughness results were lower than those obtained with traditional machining of the notch, which can be explained with electron microscopy, observations of deformation in the rear part of the notch tip. Finally, scanning electron microscopy (SEM) examination of the microstructure and fracture surfaces was used to determine and analyze the relationship between the macroscopic mechanical properties and the micromechanisms of failure involved, depending on the temperature and the dispersion of the alloy.

  13. Ni-Doping Effects on Oxygen Removal from an Orthorhombic Mo 2 C (001) Surface: A Density Functional Theory Study

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Mingxia [Department; Cheng, Lei [Materials; Choi, Jae-Soon [Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, TN 37831, Unites States; Liu, Bin [Department; Curtiss, Larry A. [Materials; Assary, Rajeev S. [Materials

    2018-01-11

    Density functional theory (DFT) calculations were used to investigate the effect of Ni dopants on the removal of chemisorbed oxygen (O*) from the Mo-terminated (T-Mo) and C-terminated (Tc) Mo2C(001) surfaces. The removal of adsorbed oxygen from the catalytic site is essential to maintain the long-term activity and selectivity of the carbide catalysts in the deoxygenation process related to bio-oil stabilization and upgrading. In this contribution, the computed reaction energetics and reaction barriers of O* removal were compared among undoped and Ni-doped Mo2C(001) surfaces. The DFT calculations indicate that selected Ni-doped surfaces such as Ni adsorbed on T-Mo and Tc Mo2C(001) surfaces enable weaker binding of important reactive intermediates (O*, OH*) compared to the undoped counterparts, which is beneficial for the O* removal from the catalyst surface. This study thus confirms the promoting effect of the Ni dopant on O* removal reaction on the T-Mo Mo2C(001) and Tc Mo2C(001) surfaces. This computational prediction has been confirmed by the temperature-programmed reduction profiles of Mo2C and Ni-doped Mo2C catalysts, which had been passivated and stored in an oxygen environment.

  14. Towards double-functionalized small diamondoids: selective electronic band-gap tuning

    International Nuclear Information System (INIS)

    Adhikari, Bibek; Fyta, Maria

    2015-01-01

    Diamondoids are nanoscale diamond-like cage structures with hydrogen terminations, which can occur in various sizes and with a diverse type of modifications. In this work, we focus on the structural alterations and the effect of doping and functionalization on the electronic properties of diamondoids, from the smallest adamantane to heptamantane. The results are based on quantum mechanical calculations. We perform a self-consistent study, starting with doping the smallest diamondoid, adamantane. Boron, nitrogen, silicon, oxygen, and phosphorus are chosen as dopants at sites which have been previously optimized and are also consistent with the literature. At a next step, an amine- and a thiol- group are separately used to functionalize the adamantane molecule. We mainly focus on a double functionalization of diamondoids up to heptamantane using both these atomic groups. The effect of isomeration in the case of tetramantane is also studied. We discuss the higher efficiency of a double-functionalization compared to doping or a single-functionalization of diamondoids in tuning the electronic properties, such as the electronic band-gap, of modified small diamondoids in view of their novel nanotechnological applications. (paper)

  15. Functional Literacy

    Directory of Open Access Journals (Sweden)

    Fani Nolimal

    2000-12-01

    Full Text Available The author first defines literacy as the ability of co-operation in all fields of life and points at the features of illiterate or semi-literate individuals. The main stress is laid upon the assessment of literacy and illiteracy. In her opinion the main weak­ ness of this kind of evaluation are its vague psycho-metric characteristics, which leads to results valid in a single geographical or cultural environment only. She also determines the factors causing illiteracy, and she states that the level of functional literacy is more and more becoming a national indicator of successfulness.

  16. Enhanced electronic and magnetic properties by functionalization of monolayer GaS via substitutional doping and adsorption

    Science.gov (United States)

    Rahman, Altaf Ur; Rahman, Gul; Kratzer, Peter

    2018-05-01

    The structural, electronic, and magnetic properties of two-dimensional (2D) GaS are investigated using density functional theory (DFT). After confirming that the pristine 2D GaS is a non-magnetic, indirect band gap semiconductor, we consider N and F as substitutional dopants or adsorbed atoms. Except for N substituting for Ga (NGa), all considered cases are found to possess a magnetic moment. Fluorine, both in its atomic and molecular form, undergoes a highly exothermic reaction with GaS. Its site preference (FS or FGa) as substitutional dopant depends on Ga-rich or S-rich conditions. Both for FGa and F adsorption at the Ga site, a strong F–Ga bond is formed, resulting in broken bonds within the GaS monolayer. As a result, FGa induces p-type conductivity in GaS, whereas FS induces a dispersive, partly occupied impurity band about 0.5 e below the conduction band edge of GaS. Substitutional doping with N at both the S and the Ga site is exothermic when using N atoms, whereas only the more favourable site under the prevailing conditions can be accessed by the less reactive N2 molecules. While NGa induces a deep level occupied by one electron at 0.5 eV above the valence band, non-magnetic NS impurities in sufficiently high concentrations modify the band structure such that a direct transition between N-induced states becomes possible. This effect can be exploited to render monolayer GaS a direct-band gap semiconductor for optoelectronic applications. Moreover, functionalization by N or F adsorption on GaS leads to in-gap states with characteristic transition energies that can be used to tune light absorption and emission. These results suggest that GaS is a good candidate for design and construction of 2D optoelectronic and spintronics devices.

  17. Lung function

    International Nuclear Information System (INIS)

    Sorichter, S.

    2009-01-01

    The term lung function is often restricted to the assessment of volume time curves measured at the mouth. Spirometry includes the assessment of lung volumes which can be mobilised with the corresponding flow-volume curves. In addition, lung volumes that can not be mobilised, such as the residual volume, or only partially as FRC and TLC can be measured by body plethysmography combined with the determination of the airway resistance. Body plethysmography allows the correct positioning of forced breathing manoeuvres on the volume-axis, e.g. before and after pharmacotherapy. Adding the CO single breath transfer factor (T LCO ), which includes the measurement of the ventilated lung volume using He, enables a clear diagnosis of different obstructive, restrictive or mixed ventilatory defects with and without trapped air. Tests of reversibility and provocation, as well as the assessment of inspiratory mouth pressures (PI max , P 0.1 ) help to classify the underlying disorder and to clarify treatment strategies. For further information and to complete the diagnostic of disturbances of the ventilation, diffusion and/or perfusion (capillar-)arterial bloodgases at rest and under physical strain sometimes amended by ergospirometry are recommended. Ideally, lung function measurements are amended by radiological and nuclear medicine techniques. (orig.) [de

  18. Functional phlebology

    International Nuclear Information System (INIS)

    Weber, J.; May, R.; Biland, L.; Endert, G.; Gottlob, R.; Justich, E.; Luebcke, P.; Mignon, G.; Moltz, L.; Partsch, H.; Petter, A.; Ritter, H.; Soerensen, R.; Widmer, L.K.; Widmer, M.T.; Zemp, E.

    1990-01-01

    The book presents a complete survey of the problems occurring in the venous system of the legs, pelvis, and abdomen. The material is arranged in the following main chapters: (1) Introduction to the phlebology of the low-pressure system in the lower part of the body; (2) Phlebographic methods; (3) Instrumented function studies and methods; (4) Pathologic findings; (5) Diagnostic methods and vein therapy; (6) Interventional radiology; (7) Expert opinions on venous lesions including insurance aspects. The first chapter encompasses a section briefly discussing the available instrumented diagnostic imaging methods. In view of the novel imaging methods, namely digital subtraction phlebology, sonography, CT and MRI, the classical phlebography remains the gold standard, so to speak: all currently available phlebographic methods for imaging the venes in the legs, pelvis and abdomen are explained and comparatively evaluated. Instrumented function tests such as Doppler effect ultrasound testing, plethysmography, peripheral and central phlebodynamometry (venous pressure measurement) are analysed for their diagnostic value and as alternative or supplementing techniques in comparison to phlebology. (orig./MG) With 843 figs., 101 tabs [de

  19. Functional Credentials

    Directory of Open Access Journals (Sweden)

    Deuber Dominic

    2018-04-01

    Full Text Available A functional credential allows a user to anonymously prove possession of a set of attributes that fulfills a certain policy. The policies are arbitrary polynomially computable predicates that are evaluated over arbitrary attributes. The key feature of this primitive is the delegation of verification to third parties, called designated verifiers. The delegation protects the privacy of the policy: A designated verifier can verify that a user satisfies a certain policy without learning anything about the policy itself. We illustrate the usefulness of this property in different applications, including outsourced databases with access control. We present a new framework to construct functional credentials that does not require (non-interactive zero-knowledge proofs. This is important in settings where the statements are complex and thus the resulting zero-knowledge proofs are not efficient. Our construction is based on any predicate encryption scheme and the security relies on standard assumptions. A complexity analysis and an experimental evaluation confirm the practicality of our approach.

  20. Functional Angioplasty

    Directory of Open Access Journals (Sweden)

    Rohit Tewari

    2013-01-01

    Full Text Available Coronary angiography underestimates or overestimates lesion severity, but still remains the cornerstone in the decision making for revascularization for an overwhelming majority of interventional cardiologists. Guidelines recommend and endorse non invasive functional evaluation ought to precede revascularization. In real world practice, this is adopted in less than 50% of patients who go on to have some form of revascularization. Fractional flow reserve (FFR is the ratio of maximal blood flow in a stenotic coronary relative to maximal flow in the same vessel, were it normal. Being independent of changes in heart rate, BP or prior infarction; and take into account the contribution of collateral blood flow. It is a majorly specific index with a reasonably high sensitivity (88%, specificity (100%, positive predictive value (100%, and overall accuracy (93%. Whilst FFR provides objective determination of ischemia and helps select appropriate candidates for revascularization (for both CABG and PCI in to cath lab itself before intervention, whereas intravascular ultrasound/optical coherence tomography guidance in PCI can secure the procedure by optimizing stent expansion. Functional angioplasty simply is incorporating both intravascular ultrasound and FFR into our daily Intervention practices.

  1. Thyroid Function Tests

    Science.gov (United States)

    ... Home » Thyroid Function Tests Leer en Español Thyroid Function Tests FUNCTION HOW DOES THE THYROID GLAND FUNCTION? ... Cancer Thyroid Nodules in Children and Adolescents Thyroid Function Tests Resources Thyroid Function Tests Brochure PDF En ...

  2. Functional nanometer-scale structures

    Science.gov (United States)

    Chan, Tsz On Mario

    cases, which led to desired chemical phase formation. The residue of polymer thermal decomposition was also controlled and utilized for certain functionality in some nanostructures. Throughout this study, we successfully fabricated several novel functional structures and revealed a new formation mechanism of metal/metal oxide nanotubes. The magnetic and electrical properties of these nanostructures were studied and optimized for applications in soft magnetic materials and spintronics devices. In the second part, (Chapter 7) a study on memristive switching devices with magnetron-sputtered metal-semiconductor-metal thin film structures based on ZnO is presented. Resistive random access memory (RRAM) is a new, non-volatile memory based on the memristor effect theoretically predicted by Leon Chua in 1971 and first experimentally demonstrated by Hewlett Packard in 2008. The unit cell of a RRAM (a memristor) is a two-terminal device in which the switching medium is sandwiched between the top and bottom electrodes and the resistance of the switching medium can be modulated by applying an electrical signal (current or voltage) to the electrodes. On the other hand, the significance of a memristor, as the fourth element of circuit elements besides resistor, capacitor and inductor, is not limited to just being a candidate for next-generation memory. Owing to the unique i-v characteristics of non-linear memristors that cannot be duplicated with any combinations of the other three basic elements in a passive circuitry, many new electrical functions are being developed based on the memristors. In our study, various contact electrode combinations and semiconductor doping profiles were utilized to achieve different functional resistive switching behaviors and to help fundamentally understand the underlying switching mechanisms in ZnO-based thin film structures. Two distinctive switching mechanisms (ferroelectric charge-induced resistive switching and dopant-induced filament

  3. Functional materials

    International Nuclear Information System (INIS)

    Park, J. Y.; Hong, G. W.; Lee, H. J.

    2002-05-01

    Development of fabrication process of functional ceramic materials, evaluation of characteristics and experiments for understanding of irradiation behavior of ceramics were carried out for application of ceramics to the nuclear industry. The developed processes were the SiC surface coating technology with large area for improvement of wear resistance and corrosion resistance, the fabrication technology of SiC composites for excellent irradiation resistance, performance improvement technology of SiC fiber and nano-sized powder processing by combustion ignition and spray. Typical results were CVD SiC coating with diameter of 25cm and thickness of 100μm, highly dense SiC composite by F-CVI, heat-treating technology of SiC fiber using B4C power, and nano-sized powders of ODS-Cu, Li-based breeding materials, Ni-based metal powders with primary particle diameter of 20∼50nm. Furthermore, test equipment, data productions and damage evaluations were performed to understand corrosion resistance and wear resistance of alumina, silicon carbide and silicon nitride under PWR or PHWR operation conditions. Experimental procedures and basic technologies for evaluation of irradiation behavior were also established. Additionally, highly reactive precursor powders were developed by various technologies and the powders were applied to the fabrication of 100 m long Ag/Bi-2223 multi-filamentary wires. High Tc magnets and fly wheel for energy storage were developed, as well

  4. On the mechanism of gas adsorption for pristine, defective and functionalized graphene.

    Science.gov (United States)

    You, Y; Deng, J; Tan, X; Gorjizadeh, N; Yoshimura, M; Smith, S C; Sahajwalla, V; Joshi, R K

    2017-02-22

    Defects are no longer deemed an adverse aspect of graphene. Contrarily, they can pave ways of extending the applicability of graphene. Herein, we discuss the effects of three types of defects in graphene including carbon deficiency, adatom (single Fe) dopants and the introduction of functional groups (carbonyl, ether group) on the NO 2 gas adsorption via density functional theory methods. We have observed that introducing Fe on graphene can enhance the NO 2 adsorption process. Adsorption energy calculations suggest that the enhancement in NO 2 adsorption is more profound for Fe-doped mono- and tetra-vacant graphene than that for Fe doped bi- and tri-vacant graphene, which is favourable for NO 2 gas capture applications. The unsaturated carbons in defected graphene as well as the oxygenated functional groups are very active to attract NO 2 molecules. However, though the gas binding strength was not as high as the that found in the Fe-doped graphene structure, the relatively low NO 2 gas adsorption energy is suitable for the practical gas sensors both for gas sensitivity and the sensor recovery rate factor. This theoretical study can potentially be useful for developing adsorption-based applications of graphene.

  5. Special functions & their applications

    CERN Document Server

    Lebedev, N N

    1972-01-01

    Famous Russian work discusses the application of cylinder functions and spherical harmonics; gamma function; probability integral and related functions; Airy functions; hyper-geometric functions; more. Translated by Richard Silverman.

  6. Compositions of Mg and Se, surface morphology, roughness and Raman property of Zn1-xMgxSeyTe1-y layers grown at various substrate temperatures or dopant transport rates by MOVPE

    Science.gov (United States)

    Nishio, Mitsuhiro; Saito, Katsuhiko; Urata, Kensuke; Okamoto, Yasuhiro; Tanaka, Daichi; Araki, Yasuhiro; Abiru, Masakatsu; Mori, Eiichiro; Tanaka, Tooru; Guo, Qixin

    2015-03-01

    The growth of undoped and phosphorus (P)-doped Zn1-xMgxSeyTe1-y layers on (100) ZnTe substrates by metalorganic vapor phase epitaxy was carried out. The compositions of Mg and Se, surface morphology, roughness and Raman property were characterized as a function of substrate temperature. Not only the compositions of Mg and Se but also the crystal quality of undoped Zn1-xMgxSeyTe1-y layer strongly depended upon the substrate temperature. Furthermore, the growth of Zn1-xMgxSeyTe1-y layer nearly-lattice-matched to ZnTe substrate was achieved independent of the transport rate of trisdimethylaminophosphorus. Undoped Zn1-xMgxSeyTe1-y layer nearly-lattice-matched to ZnTe led to improvement of surface roughness. On the other hand, P doping brought about deterioration of crystalline quality.

  7. Functional Programming in R

    DEFF Research Database (Denmark)

    Mailund, Thomas

    Master functions and discover how to write functional programs in R. In this book, you'll make your functions pure by avoiding side-effects; you’ll write functions that manipulate other functions, and you’ll construct complex functions using simpler functions as building blocks. In Functional...... Programming in R, you’ll see how we can replace loops, which can have side-effects, with recursive functions that can more easily avoid them. In addition, the book covers why you shouldn't use recursion when loops are more efficient and how you can get the best of both worlds. Functional programming...... functions by combining simpler functions. You will: Write functions in R including infix operators and replacement functions Create higher order functions Pass functions to other functions and start using functions as data you can manipulate Use Filer, Map and Reduce functions to express the intent behind...

  8. Resummed coefficient function for the shape function

    OpenAIRE

    Aglietti, U.

    2001-01-01

    We present a leading evaluation of the resummed coefficient function for the shape function. It is also shown that the coefficient function is short-distance-dominated. Our results allow relating the shape function computed on the lattice to the physical QCD distributions.

  9. Time functions function best as functions of multiple times

    NARCIS (Netherlands)

    Desain, P.; Honing, H.

    1992-01-01

    This article presents an elegant way of representing control functions at an abstractlevel. It introduces time functions that have multiple times as arguments. In this waythe generalized concept of a time function can support absolute and relative kinds of time behavior. Furthermore the

  10. Design and synthesis of diverse functional kinked nanowire structures for nanoelectronic bioprobes.

    Science.gov (United States)

    Xu, Lin; Jiang, Zhe; Qing, Quan; Mai, Liqiang; Zhang, Qingjie; Lieber, Charles M

    2013-02-13

    Functional kinked nanowires (KNWs) represent a new class of nanowire building blocks, in which functional devices, for example, nanoscale field-effect transistors (nanoFETs), are encoded in geometrically controlled nanowire superstructures during synthesis. The bottom-up control of both structure and function of KNWs enables construction of spatially isolated point-like nanoelectronic probes that are especially useful for monitoring biological systems where finely tuned feature size and structure are highly desired. Here we present three new types of functional KNWs including (1) the zero-degree KNW structures with two parallel heavily doped arms of U-shaped structures with a nanoFET at the tip of the "U", (2) series multiplexed functional KNW integrating multi-nanoFETs along the arm and at the tips of V-shaped structures, and (3) parallel multiplexed KNWs integrating nanoFETs at the two tips of W-shaped structures. First, U-shaped KNWs were synthesized with separations as small as 650 nm between the parallel arms and used to fabricate three-dimensional nanoFET probes at least 3 times smaller than previous V-shaped designs. In addition, multiple nanoFETs were encoded during synthesis in one of the arms/tip of V-shaped and distinct arms/tips of W-shaped KNWs. These new multiplexed KNW structures were structurally verified by optical and electron microscopy of dopant-selective etched samples and electrically characterized using scanning gate microscopy and transport measurements. The facile design and bottom-up synthesis of these diverse functional KNWs provides a growing toolbox of building blocks for fabricating highly compact and multiplexed three-dimensional nanoprobes for applications in life sciences, including intracellular and deep tissue/cell recordings.

  11. Wave-function functionals for the density

    International Nuclear Information System (INIS)

    Slamet, Marlina; Pan Xiaoyin; Sahni, Viraht

    2011-01-01

    We extend the idea of the constrained-search variational method for the construction of wave-function functionals ψ[χ] of functions χ. The search is constrained to those functions χ such that ψ[χ] reproduces the density ρ(r) while simultaneously leading to an upper bound to the energy. The functionals are thereby normalized and automatically satisfy the electron-nucleus coalescence condition. The functionals ψ[χ] are also constructed to satisfy the electron-electron coalescence condition. The method is applied to the ground state of the helium atom to construct functionals ψ[χ] that reproduce the density as given by the Kinoshita correlated wave function. The expectation of single-particle operators W=Σ i r i n , n=-2,-1,1,2, W=Σ i δ(r i ) are exact, as must be the case. The expectations of the kinetic energy operator W=-(1/2)Σ i ∇ i 2 , the two-particle operators W=Σ n u n , n=-2,-1,1,2, where u=|r i -r j |, and the energy are accurate. We note that the construction of such functionals ψ[χ] is an application of the Levy-Lieb constrained-search definition of density functional theory. It is thereby possible to rigorously determine which functional ψ[χ] is closer to the true wave function.

  12. Nonlocal kinetic energy functionals by functional integration

    Science.gov (United States)

    Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

    2018-05-01

    Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

  13. Generalized Probability Functions

    Directory of Open Access Journals (Sweden)

    Alexandre Souto Martinez

    2009-01-01

    Full Text Available From the integration of nonsymmetrical hyperboles, a one-parameter generalization of the logarithmic function is obtained. Inverting this function, one obtains the generalized exponential function. Motivated by the mathematical curiosity, we show that these generalized functions are suitable to generalize some probability density functions (pdfs. A very reliable rank distribution can be conveniently described by the generalized exponential function. Finally, we turn the attention to the generalization of one- and two-tail stretched exponential functions. We obtain, as particular cases, the generalized error function, the Zipf-Mandelbrot pdf, the generalized Gaussian and Laplace pdf. Their cumulative functions and moments were also obtained analytically.

  14. Functionality and homogeneity.

    NARCIS (Netherlands)

    2011-01-01

    Functionality and homogeneity are two of the five Sustainable Safety principles. The functionality principle aims for roads to have but one exclusive function and distinguishes between traffic function (flow) and access function (residence). The homogeneity principle aims at differences in mass,

  15. Extraocular muscle function testing

    Science.gov (United States)

    ... medlineplus.gov/ency/article/003397.htm Extraocular muscle function testing To use the sharing features on this page, please enable JavaScript. Extraocular muscle function testing examines the function of the eye muscles. ...

  16. Congenital platelet function defects

    Science.gov (United States)

    ... pool disorder; Glanzmann's thrombasthenia; Bernard-Soulier syndrome; Platelet function defects - congenital ... Congenital platelet function defects are bleeding disorders that cause reduced platelet function. Most of the time, people with these disorders have ...

  17. Hepatic (Liver) Function Panel

    Science.gov (United States)

    ... Educators Search English Español Blood Test: Hepatic (Liver) Function Panel KidsHealth / For Parents / Blood Test: Hepatic (Liver) ... kidneys ) is working. What Is a Hepatic (Liver) Function Panel? A liver function panel is a blood ...

  18. Platelet Function Tests

    Science.gov (United States)

    ... Patient Resources For Health Professionals Subscribe Search Platelet Function Tests Send Us Your Feedback Choose Topic At ... Also Known As Platelet Aggregation Studies PFT Platelet Function Assay PFA Formal Name Platelet Function Tests This ...

  19. On Poisson functions

    OpenAIRE

    Terashima, Yuji

    2008-01-01

    In this paper, defining Poisson functions on super manifolds, we show that the graphs of Poisson functions are Dirac structures, and find Poisson functions which include as special cases both quasi-Poisson structures and twisted Poisson structures.

  20. Investigating body function

    International Nuclear Information System (INIS)

    Monks, R.; Riley, A.L.M.

    1981-01-01

    This invention relates to the investigation of body function, especially small bowel function but also liver function, using bile acids and bile salts or their metabolic precursors labelled with radio isotopes and selenium or tellurium. (author)