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Sample records for surface doping states

  1. Engineering Topological Surface State of Cr-doped Bi2Se3 under external electric field

    Science.gov (United States)

    Zhang, Jian-Min; Lian, Ruqian; Yang, Yanmin; Xu, Guigui; Zhong, Kehua; Huang, Zhigao

    2017-03-01

    External electric field control of topological surface states (SSs) is significant for the next generation of condensed matter research and topological quantum devices. Here, we present a first-principles study of the SSs in the magnetic topological insulator (MTI) Cr-doped Bi2Se3 under external electric field. The charge transfer, electric potential, band structure and magnetism of the pure and Cr doped Bi2Se3 film have been investigated. It is found that the competition between charge transfer and spin-orbit coupling (SOC) will lead to an electrically tunable band gap in Bi2Se3 film under external electric field. As Cr atom doped, the charge transfer of Bi2Se3 film under external electric field obviously decreases. Remarkably, the band gap of Cr doped Bi2Se3 film can be greatly engineered by the external electric field due to its special band structure. Furthermore, magnetic coupling of Cr-doped Bi2Se3 could be even mediated via the control of electric field. It is demonstrated that external electric field plays an important role on the electronic and magnetic properties of Cr-doped Bi2Se3 film. Our results may promote the development of electronic and spintronic applications of magnetic topological insulator.

  2. Tailoring the surface chemical bond states of the NbN films by doping Ag: Achieving hard hydrophobic surface

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Ping; Zhang, Kan; Du, Suxuan [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Meng, Qingnan [College of Construction Engineering, Jilin University, Changchun, 130026 (China); He, Xin [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Wang, Shuo [Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China); Wen, Mao, E-mail: wenmao225@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Zheng, Weitao, E-mail: WTZheng@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China)

    2017-06-15

    Highlights: • Intrinsically hydrophilic NbN films can transfer to hydrophobic Nb-Ag-N films by doping Ag atoms into NbN sublattice. • Solute Ag can promote that the hydrophobic Ag{sub 2}O groups formed on the Nb-Ag-N film surface through self-oxidation. • The present work may provide a straightforward approach for the production of robust hydrophobic ceramic surfaces. - Abstract: Robust hydrophobic surfaces based on ceramics capable of withstanding harsh conditions such as abrasion, erosion and high temperature, are required in a broad range of applications. The metal cations with coordinative saturation or low electronegativity are commonly chosen to achieve the intrinsically hydrophobic ceramic by reducing Lewis acidity, and thus the ceramic systems are limited. In this work, we present a different picture that robust hydrophobic surface with high hardness (≥20 GPa) can be fabricated through doping Ag atoms into intrinsically hydrophilic ceramic film NbN by reactive co-sputtering. The transition of wettability from hydrophilic to hydrophobic of Nb-Ag-N films induced by Ag doping results from the appearance of Ag{sub 2}O groups on the films surfaces through self-oxidation, because Ag cations (Ag{sup +}) in Ag{sub 2}O are the filled-shell (4d{sup 10}5S{sup 0}) electronic structure with coordinative saturation that have no tendency to interact with water. The results show that surface Ag{sub 2}O benefited for hydrophobicity comes from the solute Ag atoms rather than precipitate metal Ag, in which the more Ag atoms incorporated into Nb-sublattice are able to further improve the hydrophobicity, whereas the precipitation of Ag nanoclusters would worsen it. The present work opens a window for fabricating robust hydrophobic surface through tailoring surface chemical bond states by doping Ag into transition metal nitrides.

  3. Controllable magnetic doping of the surface state of a topological insulator

    DEFF Research Database (Denmark)

    Schlenk, T.; Bianchi, M.; Koleini, Mohammad

    2013-01-01

    A combined experimental and theoretical study of doping individual Fe atoms into Bi2Se3 is presented. It is shown through a scanning tunneling microscopy study that single Fe atoms initially located at hollow sites on top of the surface (adatoms) can be incorporated into subsurface layers by ther...

  4. Evaluation of surface energy state distribution and bulk defect concentration in DSSC photoanodes based on Sn, Fe, and Cu doped TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Ekanayake, Piyaisiri, E-mail: piyasiri.ekanayake@ubd.edu.bn [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research -A*STAR, 3 Research Link, 117602 (Singapore); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Locked Bag 4, Maroochydore DC, Queensland, 4558 (Australia); Hobley, Jonathan [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Chellappan, Vijila [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Gorelik, Sergey; Subramanian, Gomathy Sandhya [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Lim, Chee Ming [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam)

    2015-10-01

    Graphical abstract: - Highlights: • The structural, optical and optoelectronic properties of 1 mol.% Fe, Sn and Cu doped TiO{sub 2} have been compared. • Transient lifetimes for pure TiO{sub 2} and Sn doped TiO{sub 2} were considerably shorter than Fe and Cu doped TiO{sub 2}. • A good correlation between the bulk defects and transient decay for the doped TiO{sub 2} powders was observed. • Photon to current conversion efficiency of DSSC based on the metal doped TiO{sub 2} were in order Sn-TiO{sub 2} > Cu-TiO{sub 2} > Pure >> Fe-TiO{sub 2}. • DSSC based on Fe doped photoanodes is limited by a high concentration of surface free holes observed at 433 nm. - Abstract: Electron transfer dynamics in the oxide layers of the working electrodes in both dye-sensitized solar cells and photocatalysts greatly influences their performance. A proper understanding of the distribution of surface and bulk energy states on/in these oxide layers can provide insights into the associated electron transfer processes. Metal ions like Iron (Fe), Copper (Cu) and Tin (Sn) doped onto TiO{sub 2} have shown enhanced photoactivity in these processes. In this work, the structural, optical and transient properties of Fe, Cu and Sn doped TiO{sub 2} nanocrystalline powders have been investigated and compared using EDX, Raman spectroscopy, X-ray Photoelectron spectroscopy (XPS), and Transient Absorption spectroscopy (TAS). Surface free energy states distributions were probed using Electrochemical Impedance spectroscopy (EIS) on Dye Sensitized Solar Cells (DSSC) based on the doped TiO{sub 2} photoanodes. Raman and XPS Ti2p{sub 3/2} peak shifts and broadening showed that the concentration of defects were in the order: Cu doped TiO{sub 2} > Fe doped TiO{sub 2} > Sn doped TiO{sub 2} > pure TiO{sub 2}. Nanosecond laser flash photolysis of Fe and Cu doped TiO{sub 2} indicated slower transient decay kinetics than that of Sn doped TiO{sub 2} or pure TiO{sub 2}. A broad absorption peak and fast

  5. Doping profile measurement on textured silicon surface

    Science.gov (United States)

    Essa, Zahi; Taleb, Nadjib; Sermage, Bernard; Broussillou, Cédric; Bazer-Bachi, Barbara; Quillec, Maurice

    2018-04-01

    In crystalline silicon solar cells, the front surface is textured in order to lower the reflection of the incident light and increase the efficiency of the cell. This texturing whose dimensions are a few micrometers wide and high, often makes it difficult to determine the doping profile measurement. We have measured by secondary ion mass spectrometry (SIMS) and electrochemical capacitance voltage profiling the doping profile of implanted phosphorus in alkaline textured and in polished monocrystalline silicon wafers. The paper shows that SIMS gives accurate results provided the primary ion impact angle is small enough. Moreover, the comparison between these two techniques gives an estimation of the concentration of electrically inactive phosphorus atoms.

  6. Effect of Phosphine Doping and the Surface Metal State of Ni on the Catalytic Performance of Ni/Al2O3 Catalyst

    Directory of Open Access Journals (Sweden)

    Xiaoru Li

    2015-04-01

    Full Text Available Ni-based catalysts as replacement for noble metal catalysts are of particular interest in the catalytic conversion of biomass due to their cheap and satisfactory catalytic activity. The Ni/SiO2 catalyst has been studied for the hydrogenolysis of glycerol, and doping with phosphorus (P found to improve the catalytic performance significantly because of the formation of Ni2P alloys. However, in the present work we disclose a different catalytic phenomenon for the P-doped Ni/Al2O3 catalyst. We found that doping with P has a significant effect on the state of the active Ni species, and thus improves the selectivity to 1,2-propanediol (1,2-PDO significantly in the hydrogenolysis of glycerol, although Ni-P alloys were not observed in our catalytic system. The structure and selectivity correlations were determined from the experimental data, combining the results of X-ray diffraction (XRD, X-ray photoelectron spectroscopy (XPS, hydrogen temperature-programmed reduction (H2-TPR and ammonia temperature-programmed desorption (NH3-TPD. The presence of NiO species, formed from P-doped Ni/Al2O3 catalyst, was shown to benefit the formation of 1,2-PDO. This was supported by the results of the Ni/Al2O3 catalyst containing NiO species with incomplete reduction. Furthermore, the role the NiO species played in the reaction and the potential reaction mechanism over the P-doped Ni/Al2O3 catalyst is discussed. The new findings in the present work open a new vision for Ni catalysis and will benefit researchers in designing Ni-based catalysts.

  7. Stability of the antiferromagnetic state in the electron doped iridates

    Science.gov (United States)

    Bhowal, Sayantika; Moradi Kurdestany, Jamshid; Satpathy, Sashi

    2018-06-01

    Iridates such as Sr2IrO4 are of considerable interest owing to the formation of the Mott insulating state driven by a large spin–orbit coupling. However, in contrast to the expectation from the Nagaoka theorem that a single doped hole or electron destroys the anti-ferromagnetic (AFM) state of the half-filled Hubbard model in the large U limit, the anti-ferromagnetism persists in the doped Iridates for a large dopant concentration beyond half-filling. With a tight-binding description of the relevant states by the third-neighbor (t 1, t 2, t 3, U) Hubbard model on the square lattice, we examine the stability of the AFM state to the formation of a spin spiral state in the strong coupling limit. The third-neighbor interaction t 3 is important for the description of the Fermi surface of the electron doped system. A phase diagram in the parameter space is obtained for the regions of stability of the AFM state. Our results qualitatively explain the robustness of the AFM state in the electron doped iridate (such as Sr2‑x La x IrO4), observed in many experiments, where the AFM state continues to be stable until a critical dopant concentration.

  8. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film

    Directory of Open Access Journals (Sweden)

    Wei Xun

    2017-07-01

    Full Text Available Based on first-principles calculations, the BaTiO3(BTO film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investigation can provide an alternative avenue in modification of surface property and surface screening effect in polar materials.

  9. Hybrid Doping of Few-Layer Graphene via a Combination of Intercalation and Surface Doping

    KAUST Repository

    Mansour, Ahmed

    2017-05-23

    Surface molecular doping of graphene has been shown to modify its work function and increase its conductivity. However, the associated shifts in work function and increases in carrier concentration are highly coupled and limited by the surface coverage of dopant molecules on graphene. Here we show that few-layer graphene (FLG) can be doped using a hybrid approach, effectively combining surface doping by larger (metal-)organic molecules, while smaller molecules, such as Br2 and FeCl3, intercalate into the bulk. Intercalation tunes the carrier concentration more effectively, whereas surface doping of intercalated FLG can be used to tune its work function without reducing the carrier mobility. This multi-modal doping approach yields a very high carrier density and tunable work function for FLG, demonstrating a new versatile platform for fabricating graphene-based contacts for electronic, optoelectronic and photovoltaic applications.

  10. Hybrid Doping of Few-Layer Graphene via a Combination of Intercalation and Surface Doping

    KAUST Repository

    Mansour, Ahmed; Kirmani, Ahmad R.; Barlow, Stephen; Marder, Seth R.; Amassian, Aram

    2017-01-01

    Surface molecular doping of graphene has been shown to modify its work function and increase its conductivity. However, the associated shifts in work function and increases in carrier concentration are highly coupled and limited by the surface coverage of dopant molecules on graphene. Here we show that few-layer graphene (FLG) can be doped using a hybrid approach, effectively combining surface doping by larger (metal-)organic molecules, while smaller molecules, such as Br2 and FeCl3, intercalate into the bulk. Intercalation tunes the carrier concentration more effectively, whereas surface doping of intercalated FLG can be used to tune its work function without reducing the carrier mobility. This multi-modal doping approach yields a very high carrier density and tunable work function for FLG, demonstrating a new versatile platform for fabricating graphene-based contacts for electronic, optoelectronic and photovoltaic applications.

  11. Surface Characterization and Electrochemical Oxidation of Metal Doped Uranium Dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jeongmook; Kim, Jandee; Youn, Young-Sang; Kim, Jong-Goo; Ha, Yeong-Keong; Kim, Jong-Yun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    Trivalent element in UO{sub 2} matrix makes the oxygen vacancy from loss of oxygen for charge compensation. Tetravalent element alters lattice parameter of UO{sub 2} due to diameter difference between the tetravalent element and replaced U. These structural changes have significant effect on not only relevant fuel performance but also the kinetics of fuel oxidation. Park and Olander explained the stabilization of Ln (III)-doped UO{sub 2} against oxidation based on oxygen potential calculations. In this work, we have been investigated the effect of Gd{sup 3+} and Th{sup 4+} doping on the UO{sub 2} structure with Raman spectroscopy and X-ray diffraction to characterize the surface structure of nuclear fuel material. For Gd doped UO{sub 2}, its electrochemical oxidation behaviors are also investigated. The Gd and Th doped uranium dioxide solid solution pellets with various doping level were investigated by XRD, Raman spectroscopy, SEM, electrochemical experiments to investigate surface structure and electro chemical oxidation behaviors. The lattice parameter evaluated from XRD spectra indicated the formation of solid solutions. Raman spectra showed the existence of the oxygen vacancy. SEM images showed the grain structure on the surface of Gd doped uranium dioxide depending on doping level and oxygen-to-metal ratio.

  12. An in situ vapour phase hydrothermal surface doping approach for fabrication of high performance Co3O4 electrocatalysts with an exceptionally high S-doped active surface.

    Science.gov (United States)

    Tan, Zhijin; Liu, Porun; Zhang, Haimin; Wang, Yun; Al-Mamun, Mohammad; Yang, Hua Gui; Wang, Dan; Tang, Zhiyong; Zhao, Huijun

    2015-04-04

    A facile in situ vapour phase hydrothermal (VPH) surface doping approach has been developed for fabrication of high performance S-doped Co3O4 electrocatalysts with an unprecedentedly high surface S content (>47%). The demonstrated VPH doping approach could be useful for enrichment of surface active sites for other metal oxide electrocatalysts.

  13. Surface study of gallium- and aluminum- doped graphenes upon adsorption of cytosine: DFT calculations

    International Nuclear Information System (INIS)

    Shokuhi Rad, Ali; Zareyee, Daryoush; Peyravi, Majid; Jahanshahi, Mohsen

    2016-01-01

    Highlights: • P1 and P4 are the most stable adsorption configurations for cytosine. • NBO analysis show n-type semiconductor property for both Al- and Ga-doped graphenes. • Important changes in the HOMO and LUMO of doped graphene upon adsorption of cytosine. • Increase in the conductivity of system when cytosine is adsorbed on doped graphenes. - Abstract: The adsorption of cytosine molecule on Al- and Ga- doped graphenes is studied using first-principles density functional theory (DFT) calculations. The energetically most stable geometries of cytosine on both Al- and Ga- doped graphenes are determined and the adsorption energies are calculated. The net charge of transfer as well as local charge of doped atoms upon adsorption of cytosine are studied by natural bond orbitals (NBO) analysis. Orbital hybridizing of complexes was searched by frontier molecular orbital theory (FMO), and density of states (DOS). Depending on the side of cytosine, there are four possible sites for its adsorption on doped graphene; denoted as P1, P2, P3, and P4, respectively. The order of binding energy in the case of Al-doped graphene is found as P1 > P4 > P3 > P2. Interestingly, the order in the case of Ga-doped graphene changes to: P4 ∼ P1 > P3 > P2. Both surfaces show superior adsorbent property, resulting chemisorption of cytosine, especially at P1 and P4 position configurations. The NBO charge analysis reveals that the charge transfers from Al- and Ga- doped graphene sheets to cytosine. The electronic properties of both surfaces undertake important changes after cytosine adsorption, which indicates notable change in its electrical conductivity.

  14. Surface study of gallium- and aluminum- doped graphenes upon adsorption of cytosine: DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Shokuhi Rad, Ali, E-mail: a.shokuhi@gmail.com [Department of Chemical Engineering, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of); Zareyee, Daryoush [Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of); Peyravi, Majid; Jahanshahi, Mohsen [Faculty of Chemical Engineering, Babol University of Technology, Babol (Iran, Islamic Republic of)

    2016-12-30

    Highlights: • P1 and P4 are the most stable adsorption configurations for cytosine. • NBO analysis show n-type semiconductor property for both Al- and Ga-doped graphenes. • Important changes in the HOMO and LUMO of doped graphene upon adsorption of cytosine. • Increase in the conductivity of system when cytosine is adsorbed on doped graphenes. - Abstract: The adsorption of cytosine molecule on Al- and Ga- doped graphenes is studied using first-principles density functional theory (DFT) calculations. The energetically most stable geometries of cytosine on both Al- and Ga- doped graphenes are determined and the adsorption energies are calculated. The net charge of transfer as well as local charge of doped atoms upon adsorption of cytosine are studied by natural bond orbitals (NBO) analysis. Orbital hybridizing of complexes was searched by frontier molecular orbital theory (FMO), and density of states (DOS). Depending on the side of cytosine, there are four possible sites for its adsorption on doped graphene; denoted as P1, P2, P3, and P4, respectively. The order of binding energy in the case of Al-doped graphene is found as P1 > P4 > P3 > P2. Interestingly, the order in the case of Ga-doped graphene changes to: P4 ∼ P1 > P3 > P2. Both surfaces show superior adsorbent property, resulting chemisorption of cytosine, especially at P1 and P4 position configurations. The NBO charge analysis reveals that the charge transfers from Al- and Ga- doped graphene sheets to cytosine. The electronic properties of both surfaces undertake important changes after cytosine adsorption, which indicates notable change in its electrical conductivity.

  15. Photocatalysis with chromium-doped TiO2: Bulk and surface doping

    KAUST Repository

    Ould-Chikh, Samy

    2014-04-15

    The photocatalytic properties of TiO2 modified by chromium are usually found to depend strongly on the preparation method. To clarify this problem, two series of chromium-doped titania with a chromium content of up to 1.56 wt % have been prepared under hydrothermal conditions: the first series (Cr:TiO2) is intended to dope the bulk of TiO2, whereas the second series (Cr/TiO2) is intended to load the surface of TiO2 with Cr. The catalytic properties have been compared in the photocatalytic oxidation of formic acid. Characterization data provides evidence that in the Cr/TiO2 catalysts chromium is located on the surface of TiO2 as amorphous CrOOH clusters. In contrast, in the Cr:TiO 2 series, chromium is mostly dissolved in the titania lattice, although a minor part is still present on the surface. Photocatalytic tests show that both series of chromium-doped titania demonstrate visible-light-driven photo-oxidation activity. Surface-doped Cr/TiO2 solids appear to be more efficient photocatalysts than the bulk-doped Cr:TiO2 counterparts. It\\'s classified! The photocatalytic properties of TiO2 modified by chromium depend strongly on the preparation method. To clarify this problem, two types of modified titania are discussed: one with CrIII doped in the bulk and one with CrOOH clusters on the TiO2 surface (see picture). Both series show visible-light-driven photo-oxidation activity. However, surface modification appears to be a more efficient strategy. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Surface states and spectra

    International Nuclear Information System (INIS)

    Jaksic, V.; Last, Y.; California Inst. of Tech., Pasadena, CA

    2001-01-01

    Let Z + d+1 =Z d x Z + , let H 0 be the discrete Laplacian on the Hilbert space l 2 (Z + d+1 ) with a Dirichlet boundary condition, and let V be a potential supported on the boundary ∂Z + d+1 . We introduce the notions of surface states and surface spectrum of the operator H=H 0 +V and explore their properties. Our main result is that if the potential V is random and if the disorder is either large or small enough, then in dimension two H has no surface spectrum on σ(H 0 ) with probability one. To prove this result we combine Aizenman-Molchanov theory with techniques of scattering theory. (orig.)

  17. Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films

    KAUST Repository

    Benali Kanoun, Mohammed

    2012-05-29

    We present first-principles results for Sc-doped ZnOthin films. Neighboring Sc atoms in the surface and/or subsurface layers are found to be coupled ferromagnetically, where only two of the possible configurations induce spin polarization. In the first configuration, the polarization is carried by the Sc d states as expected for transition metaldoping. However, there is a second configuration which is energetically favorable. It is governed by polarized hybrid states of the Zns, O p, and Sc d orbitals. Such highly delocalized states can be an important ingredient for understanding the magnetism of dopedZnOthin films.

  18. Study of gadolinia-doped ceria solid electrolyte surface by XPS

    International Nuclear Information System (INIS)

    Datta, Pradyot; Majewski, Peter; Aldinger, Fritz

    2009-01-01

    Gadolinia-doped ceria (CGO) is an important material to be used as electrolyte for solid oxide fuel cell for intermediate temperature operation. Ceria doped with 10 mol% gadolinia (Ce 0.9 Gd 0.1 O 1.95 ) was prepared by conventional solid state synthesis and found to be single phase by room temperature X-ray diffraction (XRD). The chemical states of the surface of the prepared sample were analyzed by X-ray photoelectron spectroscopy (XPS). Though Gd was present in its characteristic chemical state, Ce was found in both Ce 4+ and Ce 3+ states. Presence of Ce 3+ state was ascribed to the differential yield of oxygen atoms in the sputtering process

  19. Self-energy behavior away from the Fermi surface in doped Mott insulators.

    Science.gov (United States)

    Merino, J; Gunnarsson, O; Kotliar, G

    2016-02-03

    We analyze self-energies of electrons away from the Fermi surface in doped Mott insulators using the dynamical cluster approximation to the Hubbard model. For large onsite repulsion, U, and hole doping, the magnitude of the self-energy for imaginary frequencies at the top of the band ([Formula: see text]) is enhanced with respect to the self-energy magnitude at the bottom of the band ([Formula: see text]). The self-energy behavior at these two [Formula: see text]-points is switched for electron doping. Although the hybridization is much larger for (0, 0) than for [Formula: see text], we demonstrate that this is not the origin of this difference. Isolated clusters under a downward shift of the chemical potential, [Formula: see text], at half-filling reproduce the overall self-energy behavior at (0, 0) and [Formula: see text] found in low hole doped embedded clusters. This happens although there is no change in the electronic structure of the isolated clusters. Our analysis shows that a downward shift of the chemical potential which weakly hole dopes the Mott insulator can lead to a large enhancement of the [Formula: see text] self-energy for imaginary frequencies which is not associated with electronic correlation effects, even in embedded clusters. Interpretations of the strength of electronic correlations based on self-energies for imaginary frequencies are, in general, misleading for states away from the Fermi surface.

  20. Coating of hydroxyapatite doped Ag on commercially pure titanium surface

    International Nuclear Information System (INIS)

    Vieira, Jonas de Oliveira; Vercik, Luci Cristina de Oliveira; Rigo, Eliana Cristina da Silva

    2012-01-01

    This paper presents results of bioactive coating on commercially pure titanium surface (CpTi) doped with Ag ions. The coating consists of 3 steps, in step 1- surface chemical treatment of the samples with NaOH, step 2 - immersing the substrate in question in a sodium silicate solution (SS) to the nucleation and step 3 - reimmersion these substrates in synthetic solution that simulates the blood serum for precipitation and growth of apatite layer. After the coating step the AgNO 3 substrates were immersed in solutions with concentrations of 20 ppm and 100 ppm at 37 ° C for 48h. The substrates were characterized by scanning electron microscopy (SEM), infrared spectroscopy (IR) and X-ray diffraction (XRD). By the results verified the formation of an apatite layer with aspects of cells, on the surface of CpTi. The increase in Ag concentration causes an increase in Ag amount doped in apatite layer. With the results we concluded that it is possible to obtain an apatite layer on a metal surface as the CpTi doped with Ag ions

  1. Control of magnetism by electrical charge doping or redox reactions in a surface-oxidized Co thin film with a solid-state capacitor structure

    Science.gov (United States)

    Hirai, T.; Koyama, T.; Chiba, D.

    2018-03-01

    We have investigated the electric field (EF) effect on magnetism in a Co thin film with a naturally oxidized surface. The EF was applied to the oxidized Co surface through a gate insulator layer made of HfO2, which was formed using atomic layer deposition (ALD). The efficiency of the EF effect on the magnetic anisotropy in the sample with the HfO2 layer deposited at the appropriate temperature for the ALD process was relatively large compared to the previously reported values with an unoxidized Co film. The coercivity promptly and reversibly followed the variation in gate voltage. The modulation of the channel resistance was at most ˜0.02%. In contrast, a dramatic change in the magnetic properties including the large change in the saturation magnetic moment and a much larger EF-induced modulation of the channel resistance (˜10%) were observed in the sample with a HfO2 layer deposited at a temperature far below the appropriate temperature range. The response of these properties to the gate voltage was very slow, suggesting that a redox reaction dominated the EF effect on the magnetism in this sample. The frequency response for the capacitive properties was examined to discuss the difference in the mechanism of the EF effect observed here.

  2. Initial Reduction of CO2 on Pd-, Ru-, and Cu-Doped CeO2(111) Surfaces: Effects of Surface Modification on Catalytic Activity and Selectivity.

    Science.gov (United States)

    Guo, Chen; Wei, Shuxian; Zhou, Sainan; Zhang, Tian; Wang, Zhaojie; Ng, Siu-Pang; Lu, Xiaoqing; Wu, Chi-Man Lawrence; Guo, Wenyue

    2017-08-09

    Surface modification by metal doping is an effective treatment technique for improving surface properties for CO 2 reduction. Herein, the effects of doped Pd, Ru, and Cu on the adsorption, activation, and reduction selectivity of CO 2 on CeO 2 (111) were investigated by periodic density functional theory. The doped metals distorted the configuration of a perfect CeO 2 (111) by weakening the adjacent Ce-O bond strength, and Pd doping was beneficial for generating a highly active O vacancy. The analyses of adsorption energy, charge density difference, and density of states confirmed that the doped metals were conducive for enhancing CO 2 adsorption, especially for Cu/CeO 2 (111). The initial reductive dissociation CO 2 → CO* + O* on metal-doped CeO 2 (111) followed the sequence of Cu- > perfect > Pd- > Ru-doped CeO 2 (111); the reductive hydrogenation CO 2 + H → COOH* followed the sequence of Cu- > perfect > Ru- > Pd-doped CeO 2 (111), in which the most competitive route on Cu/CeO 2 (111) was exothermic by 0.52 eV with an energy barrier of 0.16 eV; the reductive hydrogenation CO 2 + H → HCOO* followed the sequence of Ru- > perfect > Pd-doped CeO 2 (111). Energy barrier decomposition analyses were performed to identify the governing factors of bond activation and scission along the initial CO 2 reduction routes. Results of this study provided deep insights into the effect of surface modification on the initial reduction mechanisms of CO 2 on metal-doped CeO 2 (111) surfaces.

  3. Strain engineering of magnetic state in vacancy-doped phosphorene

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Jie [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Zhang, Chunxiao, E-mail: zhangchunxiao@xtu.edu.cn [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Li, Jin [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Guo, Zhixin [Department of Physics, Xiangtan University, Xiangtan 411105, Hunan (China); Xiao, Huaping, E-mail: hpxiao@xtu.edu.cn [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Zhong, Jianxin [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China)

    2016-09-23

    Inducing and manipulating the magnetism in two-dimensional materials play an important role for the development of the next-generation spintronics. In this letter, the effects of the biaxial strain on magnetic properties of vacancy-doped phosphorene are investigated using first-principles calculation. We find although only SV956 doping induces magnetism for unstrained phosphorene, the biaxial strain induces nonzero magnetic moment for SV5566 and DVa doped phosphorene. The biaxial strain also modulates the magnetic state for SV956, SV5566 and DVa doped phosphorene. The local magnetic moment derives from the spin polarization of the dangling bonds near the vacancy. The biaxial strain influences the local bonding configuration near the vacancy which determines the presence of dangling bonds, and then modulates the magnetic state. Our findings promise the synergistic effect of strain engineering and vacancy decoration is an effective method for the operation of phosphorene-based spintronic devices. - Highlights: • Investigation of the magnetic moment of vacancy-doped phosphorene by DFT calculation. • The modulation of the magnetic moment by the biaxial strain. • The analysis of the bonding configuration with the biaxial strain. • The analysis of the electronic structures to explain the evolution of the magnetic moment. • The effects of the biaxial strain on the band gap and doping levels.

  4. Infrared absorption spectra of various doping states in cuprate superconductors

    International Nuclear Information System (INIS)

    Yonemitsu, K.; Bishop, A.R.; Lorenzana, J.

    1992-01-01

    Doping states in a two-dimensional three-band extended Peierls-Hubbard model was investigated within inhomogeneous Hartree-Fock and random phase approximation. They are very sensitive to small changes of interaction parameters and their distinct vibrational and optical absorption spectra can be used to identify different doping states. For electronic parameters relevant to cuprate superconductors, as intersite electron-phonon interaction strength increases, the doping state changes from a Zhang-Rice state to a covalent molecular singlet state accompanied by local quenching of the Cu magnetic moment and large local lattice distortion in an otherwise undistorted antiferromagnetic background. In a region where both intersite electron-phonon interaction and on-site electron-electron repulsion are large, we obtain new stable global phases including a bond-order-wave state and a mixed state of spin-Peierls bonds and antiferromagnetic Cu spins, as well as many metastable states. Doping in the bond-order-wave region induces separation of spin and charge. 9 refs

  5. Reversible control of kinesin activity and microtubule gliding speeds by switching the doping states of a conducting polymer support

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Brett D [US Naval Research Laboratory, Code 6930, Washington, DC 20375 (United States); Velea, Luminita M [US Naval Research Laboratory, Code 6930, Washington, DC 20375 (United States); Soto, Carissa M [US Naval Research Laboratory, Code 6930, Washington, DC 20375 (United States); Whitaker, Craig M [US Naval Academy, Department of Chemistry, Annapolis, MD 21402 (United States); Gaber, Bruce P [US Naval Research Laboratory, Code 6930, Washington, DC 20375 (United States); Ratna, Banahalli [US Naval Research Laboratory, Code 6930, Washington, DC 20375 (United States)

    2007-02-07

    We describe a method for reversibly controlling the ATPase activity of streptavidin-linked kinesin by changing the doping states of a conducting polymer support. When the polymer (poly(CH{sub 2}OH-EDOT)) was electrochemically switched from its dedoped (semiconducting) state to its doped (conducting) state, the ATPase activity of the adsorbed kinesin complex decreased by 35% with a concomitant decrease in the gliding speeds of kinesin-driven microtubules. When the polymer was switched back to its original dedoped state, nearly identical increases were observed in the kinesin ATPase activity and microtubule speeds. Use of a fluorescent ATP substrate analogue showed that the total amount of kinesin adsorbed on the poly(CH{sub 2}OH-EDOT) surface remained constant as the doping state of the polymer was switched. The microtubules exhibited nearly identical speed differences on the doped and dedoped surfaces for both chemical and electrochemical doping methods. Michaelis-Menten modelling suggests that the doped surface acts as an 'uncompetitive inhibitor' of kinesin. This work represents an investigation into the phenomenon of an electrically switchable surface exerting a moderating effect on the activity of an adsorbed protein that does not contain a bound, electroactive metal ion.

  6. Ion doping of surface layers in conducting electrical materials

    International Nuclear Information System (INIS)

    Zukowski, P.; Karwat, Cz.; Kozak, Cz. M.; Kolasik, M.; Kiszczak, K.

    2009-01-01

    The presented article gives basic component elements of an implanter MKPCz-99, its parameters and methods for doping surface layers of conducting electrical materials. The discussed device makes possible to dope the materials with ions of gaseous elements. At the application of cones made of solid-element sheets it is possible to perform doping with atoms that do not chemically react with the modified material. By performing voltage drop measurements with a specialized circuit between a movable testing electrode and the modified sample the dependence of transition resistance on pressure force of the testing electrode on the sample can be determined. The testing can be performed at the current passage of a determined value for surfaces modified with ions of gaseous elements or atoms of solid elements. A computer stand for switch testing makes possible to measure temperature of switch contacts and voltage drop at the contact and thereby to determine contact resistance of a switch depending on the number of switch cycles (ON-OFF). Pattern recording of current and voltage at the switch contacts and the application of an adequate computer software makes possible to determined the value of energy between fixed and moving contacts at their getting apart. In order to eliminate action of the environment onto the switch operation measurements can be performed at placing the tested switch together with the driving system in an atmosphere of noble gas like argon. (authors)

  7. Coherent states and rational surfaces

    International Nuclear Information System (INIS)

    Brody, Dorje C; Graefe, Eva-Maria

    2010-01-01

    The state spaces of generalized coherent states associated with special unitary groups are shown to form rational curves and surfaces in the space of pure states. These curves and surfaces are generated by the various Veronese embeddings of the underlying state space into higher dimensional state spaces. This construction is applied to the parameterization of generalized coherent states, which is useful for practical calculations, and provides an elementary combinatorial approach to the geometry of the coherent state space. The results are extended to Hilbert spaces with indefinite inner products, leading to the introduction of a new kind of generalized coherent states.

  8. Ab-initio study of Mg-doped InN(0001 surface

    Directory of Open Access Journals (Sweden)

    A. Belabbes

    2013-01-01

    Full Text Available We study the incorporation of Mg atoms into the InN(0001 surface. Energies and atomic geometries are described within density functional theory, while the electronic structure is investigated by an approximate quasiparticle method that yields a gap value of 0.7 eV for bulk InN. The formation of substitutional Mg is energetically favored in the surface layer. The surface electronic structure is less influenced by Mg-derived states. The Fermi level is pinned by In-derived surface states. With increasing depth of Mg beneath the surface the Fermi-level position moves toward the valence band top, suggesting formation of holes and, hence, p-doping of Mg in bulk-like layers.

  9. Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces

    International Nuclear Information System (INIS)

    Fields, Meredith; Tsai, Charlie; Chen, Leanne D.; Abild-Pedersen, Frank; Nørskov, Jens K.; Chan, Karen

    2017-01-01

    Molybdenum phosphide (MoP), a well-documented catalyst for applications ranging from hydrotreating reactions to electrochemical hydrogen evolution, has yet to be mapped from a more fundamental perspective, particularly in the context of transition-metal scaling relations. In this work, we use periodic density functional theory to extend linear scaling arguments to doped MoP surfaces and understand the behavior of the phosphorus active site. The derived linear relationships for hydrogenated C, N, and O species on a variety of doped surfaces suggest that phosphorus experiences a shift in preferred bond order depending on the degree of hydrogen substitution on the adsorbate molecule. This shift in phosphorus hybridization, dependent on the bond order of the adsorbate to the surface, can result in selective bond weakening or strengthening of chemically similar species. As a result, we discuss how this behavior deviates from transition-metal, sulfide, carbide, and nitride scaling relations, and we discuss potential applications in the context of electrochemical reduction reactions.

  10. La modified TiO{sub 2} photoanode and its effect on DSSC performance: A comparative study of doping and surface treatment on deep and surface charge trapping

    Energy Technology Data Exchange (ETDEWEB)

    Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara Brunei Darussalam (Brunei Darussalam); Ekanayake, Piyasiri, E-mail: piyasiri.ekanayake@ubd.edu.bn [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara Brunei Darussalam (Brunei Darussalam); Centre for Advanced Material and Energy Sciences (CAMES), Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara Brunei Darussalam (Brunei Darussalam); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara Brunei Darussalam (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara Brunei Darussalam (Brunei Darussalam); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Maroochydore DC, Queensland, 4558 (Australia); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, #08-03, 2 Fusionopolis Way, Innovis, 138634 (Singapore)

    2016-04-01

    The effect of Lanthanum ions (La{sup 3+}) on charge trapping in dye-sensitized solar cell (DSSC) photoanodes has been investigated with doped and surface-treated TiO{sub 2} nanoparticles. Doped nanoparticles consisting of 0.5 mol.% Mg and La co-doped TiO{sub 2}, 0.5 mol.% Mg doped TiO{sub 2} and pure TiO{sub 2} were synthesized by the sol gel method. Surface-treated nanoparticles of Mg doped TiO{sub 2} and pure TiO{sub 2} were prepared by ball milling in 0.05 M aqueous La{sup 3+} solution. All materials were analyzed by XRD, XPS and UV–Vis DRS. Cell performance, surface free energy state changes and electron injection efficiency of DSSCs based on these nanoparticles were evaluated using current –voltage measurements, EIS and Incident photon to current conversion efficiency. Doped materials had La and Mg ions incorporated into the TiO{sub 2} lattice, while no lattice changes were observed for the surface-treated materials. Less visible light was absorbed by treated oxides compared with doped oxide samples. The overall power conversion efficiencies (PCE) of DSSC photoanodes based on doped materials were twice those of photoanodes fabricated from treated nanoparticles. Doping establishes deep traps that reduce the recombination of electron–hole (e–h) pairs. Conversely, the presence of absorbed oxygen in treated materials enhances e–h recombination with electrolyte at surface trap sites. - Highlights: • DSSC performance is investigated using photoanodes of doped and La{sup 3+} surface treated TiO{sub 2}. • TiO{sub 2} and Mg–TiO{sub 2} treated with La{sup 3+} absorbed less visible light. • A high concentration of absorbed oxygen on surface treated oxides reduced band bending. • Increased surface free energy in the modified DSSC anodes is caused more by Mg{sup 2+} at Ti{sup 4+} than by La{sup 3+} at the surfaces. • Near surface charge traps due to La{sup 3+} treatment promotes e–h recombination.

  11. Measurement of surface recombination velocity on heavily doped indium phosphide

    International Nuclear Information System (INIS)

    Jenkins, P.; Ghalla-Goradia, M.; Faur, M.; Bailey, S.

    1990-01-01

    The controversy surrounding the published low values of surface recombination velocity (SRV) in n-InP, solidified in recent years when modeling of existing n/p InP solar cells revealed that the front surface SRV had to be higher than 1 x 10 6 cm/sec in order to justify the poor blue response that is characteristic of all n/p InP solar cells. In this paper, SRV on heavily doped (>10 18 cm -3 )n-type and p-type InP is measured as a function of surface treatment. For the limited range of substrates and surface treatments studied, SRV and surface stability depend strongly on the surface treatment. SRVs of ∼10 5 cm/sec in both p-type and n-type InP are obtainable, but in n-type the low SRV surfaces were unstable, and the only stable surfaces on n-type had SRVs of >10 6 cm/sec

  12. Stabilization of Reactive MgO Surfaces by Ni Doping

    Science.gov (United States)

    Mazheika, Aliaksei; Levchenko, Sergey V.

    Ni-MgO solid solutions are promising materials for catalytic reduction of CO2 and dry reforming of CH4. To explain the catalytic activity, an ab initio study of Ni-substitutional defects in MgO (NiMg) has been performed. At first, the validation of the theory level was done. We compared results of CCSD(T) embedded-cluster calculations of NiMg formation energies and adsorption energies of CO, CO2 and H2 on them to the HSE(α) hybrid DFT functional with the fraction of the exact exchange α varied between 0 and 1. HSE(0.3) was found to be the best compromise in this study. Our periodic HSE(0.3) calculations show that NiMg defects are most stable at corner sites, followed by steps, and are least stable at (001) terraces. Thus, Ni-doping stabilizes stepped MgO surfaces. The dissociative adsorption of H2 on the terrace is found to be endothermic (+ 1 . 1 eV), whereas on (110) surface with NiMg it is highly exothermic (- 1 . 6 eV). Adsorbed CO2 is also significantly stabilized (- 0 . 6 vs. - 2 . 2 eV). These findings explain recent microcalorimetry measurements of H2 and CO2 adsorption at doped Ni-MgO samples. partially supported by UniCat (Deutsche Forschungsgemeinschaft).

  13. Surface photovoltage in heavily doped GaN:Si,Zn

    Science.gov (United States)

    McNamara, J. D.; Behrends, A.; Mohajerani, M. S.; Bakin, A.; Waag, A.; Baski, A. A.; Reshchikov, M. A.

    2014-02-01

    In n-type GaN, an upward band bending of about 1 eV is caused by negative charge at the surface. UV light reduces the band bending by creating a surface photovoltage (SPV), which can be measured by a Kelvin probe. Previously, we reported a fast SPV signal of about 0.6 eV in undoped and moderately doped GaN. In this work, we have studied degenerate GaN co-doped with Zn and Si, with a Si concentration of about 1019 cm-3 and a Zn concentration of 6×1017 cm-3. At room temperature, a fast component of about 0.6 eV was observed. However, after preheating the sample at 600 K for one hour and subsequently cooling the sample to 300 K (all steps performed in vacuum), the fast component disappeared. Instead, a very slow (minutes) and logarithmic in time rise of the SPV was observed with UV illumination. The total change in SPV was about 0.4 eV. This slow SPV transient can be reversibly converted into the "normal" fast (subsecond) rise by letting air or dry oxygen in at room temperature. Possible explanations of the observed unusual SPV transients are discussed.

  14. Surface Charge Transfer Doping of Monolayer Phosphorene via Molecular Adsorption.

    Science.gov (United States)

    He, Yuanyuan; Xia, Feifei; Shao, Zhibin; Zhao, Jianwei; Jie, Jiansheng

    2015-12-03

    Monolayer phosphorene has attracted much attention owing to its extraordinary electronic, optical, and structural properties. Rationally tuning the electrical transport characteristics of monolayer phosphorene is essential to its applications in electronic and optoelectronic devices. Herein, we study the electronic transport behaviors of monolayer phosphorene with surface charge transfer doping of electrophilic molecules, including 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), NO2, and MoO3, using density functional theory combined with the nonequilibrium Green's function formalism. F4TCNQ shows optimal performance in enhancing the p-type conductance of monolayer phosphorene. Static electronic properties indicate that the enhancement is originated from the charge transfer between adsorbed molecule and phosphorene layer. Dynamic transport behaviors demonstrate that additional channels for hole transport in host monolayer phosphorene were generated upon the adsorption of molecule. Our work unveils the great potential of surface charge transfer doping in tuning the electronic properties of monolayer phosphorene and is of significance to its application in high-performance devices.

  15. Observation of an electron band above the Fermi level in FeTe0.55Se0.45 from in-situ surface doping

    International Nuclear Information System (INIS)

    Zhang, P.; Ma, J.; Qian, T.; Richard, P.; Ding, H.; Xu, N.; Xu, Y.-M.; Fedorov, A. V.; Denlinger, J. D.; Gu, G. D.

    2014-01-01

    We used in-situ potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe 0.55 Se 0.45 . The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily electron-doped KFe 2−x Se 2 compound.

  16. High spin state driven magnetism and thermoelectricity in Mn doped topological insulator Bi2Se3

    Science.gov (United States)

    Maurya, V. K.; Dong, C. L.; Chen, C. L.; Asokan, K.; Patnaik, S.

    2018-06-01

    We report on the synthesis, and structural - magnetic characterizations of Mn doped Bi2Se3 towards achieving a magnetically doped topological insulator. High quality single crystals of MnxBi2-xSe3 (x = 0, 0.03, 0.05, 0.1) are grown and analysed by X-ray diffraction (XRD), Low Energy Electron Diffraction (LEED), Scanning electron microscopy (SEM), and X-ray absorption near-edge structure spectroscopy (XANES). Magnetic properties of these samples under ZFC-FC protocol and isothermal magnetization confirm ferromagnetic correlation above x = 0.03 value. XANES measurements confirm that the dopant Mn is in Mn2+ state. This is further reconfirmed to be in high spin state by fitting magnetic data with Brillouin function for J = 5/2. Both Hall and Seebeck measurements indicate a sign change of charge carriers above x = 0.03 value of Mn doping. We propose Mn doped Bi2Se3 to be a potential candidate for electromagnetic and thermoelectric device applications involving topological surface states.

  17. Surface states in photonic crystals

    Directory of Open Access Journals (Sweden)

    Vojtíšek P.

    2013-05-01

    Full Text Available Among many unusual and interesting physical properties of photonic crystals (PhC, in recent years, the propagation of surface electromagnetic waves along dielectric PhC boundaries have attracted considerable attention, also in connection to their possible applications. Such surfaces states, produced with the help of specialized defects on PhC boundaries, similarly to surfaces plasmons, are localized surfaces waves and, as such, can be used in various sensing applications. In this contribution, we present our recent studies on numerical modelling of surface states (SS for all three cases of PhC dimensionality. Simulations of these states were carried out by the use of plane wave expansion (PWE method via the MIT MPB package.

  18. Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires

    Science.gov (United States)

    Li, Yan-Jing; Li, Shu-Long; Gong, Pei; Li, Ya-Lin; Cao, Mao-Sheng; Fang, Xiao-Yong

    2018-04-01

    The electronic structure and optical properties of the nitrogen and phosphorus doped silicon carbide nanowires (SiCNWs) are investigated using first-principle calculations based on density functional theory. The results show doping can change the type of the band gap and improve the conductivity. However, the doped SiCNWs form a discrete impurity levels at the Fermi energy, and the dispersion degree decreases with the diameter increasing. In order to reveal the root of this phenomenon, we hydrogenated the doped SiCNWs, found that the surface dangling bonds were saturated, and the discrete impurity levels are degeneracy, which indicates that the discrete impurity band of the doped SiCNWs is derived from the dangling bonds. The surface passivation can degenerate the impurity levels. Therefore, both doping and surface passivation can better improve the photoelectric properties of the SiCNWs. The result can provide additional candidates in producing nano-optoelectronic devices.

  19. The influence of Fe doping on the surface topography of GaN epitaxial material

    International Nuclear Information System (INIS)

    Cui Lei; Yin Haibo; Jiang Lijuan; Wang Quan; Feng Chun; Xiao Hongling; Wang Cuimei; Wang Xiaoliang; Gong Jiamin; Zhang Bo; Li Baiquan; Wang Zhanguo

    2015-01-01

    Fe doping is an effective method to obtain high resistivity GaN epitaxial material. But in some cases, Fe doping could result in serious deterioration of the GaN material surface topography, which will affect the electrical properties of two dimensional electron gas (2DEG) in HEMT device. In this paper, the influence of Fe doping on the surface topography of GaN epitaxial material is studied. The results of experiments indicate that the surface topography of Fe-doped GaN epitaxial material can be effectively improved and the resistivity could be increased after increasing the growth rate of GaN materials. The GaN material with good surface topography can be manufactured when the Fe doping concentration is 9 × 10 19 cm −3 . High resistivity GaN epitaxial material which is 1 × 10 9 Ω·cm is achieved. (paper)

  20. Hole doped Dirac states in silicene by biaxial tensile strain

    KAUST Repository

    Kaloni, Thaneshwor P.; Cheng, Yingchun; Schwingenschlö gl, Udo

    2013-01-01

    The effects of biaxial tensile strain on the structure, electronic states, and mechanical properties of silicene are studied by ab-initio calculations. Our results show that up to 5% strain the Dirac cone remains essentially at the Fermi level, while higher strain induces hole doped Dirac states because of weakened Si–Si bonds. We demonstrate that the silicene lattice is stable up to 17% strain. It is noted that the buckling first decreases with the strain (up to 10%) and then increases again, which is accompanied by a band gap variation. We also calculate the Grüneisen parameter and demonstrate a strain dependence similar to that of graphene.

  1. Hole doped Dirac states in silicene by biaxial tensile strain

    KAUST Repository

    Kaloni, Thaneshwor P.

    2013-03-11

    The effects of biaxial tensile strain on the structure, electronic states, and mechanical properties of silicene are studied by ab-initio calculations. Our results show that up to 5% strain the Dirac cone remains essentially at the Fermi level, while higher strain induces hole doped Dirac states because of weakened Si–Si bonds. We demonstrate that the silicene lattice is stable up to 17% strain. It is noted that the buckling first decreases with the strain (up to 10%) and then increases again, which is accompanied by a band gap variation. We also calculate the Grüneisen parameter and demonstrate a strain dependence similar to that of graphene.

  2. Realization of N-Type Semiconducting of Phosphorene through Surface Metal Doping and Work Function Study

    Directory of Open Access Journals (Sweden)

    Haocheng Sun

    2018-01-01

    Full Text Available Phosphorene becomes an important member of the layered nanomaterials since its discovery for the fabrication of nanodevices. In the experiments, pristine phosphorene shows p-type semiconducting with no exception. To reach its full capability, n-type semiconducting is a necessity. Here, we report the electronic structure engineering of phosphorene by surface metal atom doping. Five metal elements, Cu, Ag, Au, Li, and Na, have been considered which could form stable adsorption on phosphorene. These elements show patterns in their electron configuration with one valence electron in their outermost s-orbital. Among three group 11 elements, Cu can induce n-type degenerate semiconducting, while Ag and Au can only introduce localized impurity states. The distinct ability of Cu, compared to Ag and Au, is mainly attributed to the electronegativity. Cu has smaller electronegativity and thus denotes its electron to phosphorene, upshifting the Fermi level towards conduction band, resulting in n-type semiconducting. Ag and Au have larger electronegativity and hardly transfer electrons to phosphorene. Parallel studies of Li and Na doping support these findings. In addition, Cu doping effectively regulates the work function of phosphorene, which gradually decreases upon increasing Cu concentration. It is also interesting that Au can hardly change the work function of phosphorene.

  3. Density functional theory prediction for diffusion of lithium on boron-doped graphene surface

    International Nuclear Information System (INIS)

    Gao Shuanghong; Ren Zhaoyu; Wan Lijuan; Zheng Jiming; Guo Ping; Zhou Yixuan

    2011-01-01

    The density functional theory (DFT) investigation shows that graphene has changed from semimetal to semiconductor with the increasing number of doped boron atoms. Lithium and boron atoms acted as charge contributors and recipients, which attracted to each other. Further investigations show that, the potential barrier for lithium diffusion on boron-doped graphene is higher than that of intrinsic graphene. The potential barrier is up to 0.22 eV when six boron atoms doped (B 6 C 26 ), which is the lowest potential barrier in all the doped graphene. The potential barrier is dramatically affected by the surface structure of graphene.

  4. Reliability improvement of PMZNT relaxor ferroelectrics through surface modification by MnO2 doping against electroplating-induced degradation

    International Nuclear Information System (INIS)

    Cao Jiangli; Li Longtu; Gui Zhilun

    2003-01-01

    Electroplating treatment, scanning electron microscopy (SEM) observation, X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) analyses were conducted to investigate the reliability improvement of lead magnesium niobate-based ceramics (PMZNT) through MnO 2 vaporous doping against hydrogen reduction during electroplating. The results showed that manganese dopant was reduced to be +3 oxidation state during the sintering and Mn 3+ was incorporated into the perovskite lattice; however, only the outermost ceramics surface was doped while 50 μm beneath kept unchanged. This technique proved to enhance the reliability of PMZNT against electroplating significantly without changing the dielectric properties of ceramics body. Based on the above results, the modification mechanism of MnO 2 vaporous doping was analyzed from the viewpoint of defect chemistry

  5. Adsorption of sugars on Al- and Ga-doped boron nitride surfaces: A computational study

    Energy Technology Data Exchange (ETDEWEB)

    Darwish, Ahmed A. [Center for Nanotechnology, Zewail City of Science and Technology, Giza 12588 (Egypt); Department of Nuclear and Radiation Engineering, Faculty of Engineering, Alexandria University, Alexandria (Egypt); Fadlallah, Mohamed M. [Center for Fundamental Physics, Zewail City of Science and Technology, Giza 12588 (Egypt); Department of Physics, Faculty of Science, Benha University, Benha (Egypt); Badawi, Ashraf [Center for Nanotechnology, Zewail City of Science and Technology, Giza 12588 (Egypt); Maarouf, Ahmed A., E-mail: ahmed.maarouf@egnc.gov.eg [Center for Fundamental Physics, Zewail City of Science and Technology, Giza 12588 (Egypt); Egypt Nanotechnology Center & Department of Physics, Faculty of Science, Cairo University, Giza 12613 (Egypt)

    2016-07-30

    Highlights: • Doping boron nitride sheets with aluminum or gallium atoms significantly enhances their molecular adsorption properties. • Adsorption of glucose or glucosamine on Al- and Ga-doped boron nitride sheets changes the band gap. • Doping concentration changes the bad gap, but has a minor effect on the adsorption energy. - Abstract: Molecular adsorption on surfaces is a key element for many applications, including sensing and catalysis. Non-invasive sugar sensing has been an active area of research due to its importance to diabetes care. The adsorption of sugars on a template surface study is at the heart of matter. Here, we study doped hexagonal boron nitride sheets (h-BNNs) as adsorbing and sensing template for glucose and glucosamine. Using first principles calculations, we find that the adsorption of glucose and glucosamine on h-BNNs is significantly enhanced by the substitutional doping of the sheet with Al and Ga. Including long range van der Waals corrections gives adsorption energies of about 2 eV. In addition to the charge transfer occurring between glucose and the Al/Ga-doped BN sheets, the adsorption alters the size of the band gap, allowing for optical detection of adsorption. We also find that Al-doped boron nitride sheet is better than Ga-doped boron nitride sheet to enhance the adsorption energy of glucose and glucosamine. The results of our work can be potentially utilized when designing support templates for glucose and glucosamine.

  6. Ultrasonic attenuation in the superconducting and intermediate states of pure and doped type I superconductors

    International Nuclear Information System (INIS)

    Chaudhuri, K.D.; Singh, R.

    1982-01-01

    The attenuation of longitudinal ultrasonic waves has been measured in single crystals of indium (99.999%), indium doped with 0.003 at % of tin, and indium doped with 0.002 at % of bismuth in the intermediate and superconducting states over the frequency range 10--30 MHz. For the bismuth-doped indium specimen, measurements were taken for three different physical states, i.e., for three different dislocation densities, and for the indium and the tin-doped indium specimens, measurements were for one-physical state. For a particular measurement, the same physical state was maintained both in the intermediate and superconducting states. A temperature-dependent oscillatory behavior of the ultrasonic attenuation was observed in the intermediate state in all the three specimens, but in the superconducting state the oscillatory behavior was observed only in the bismuth-doped specimen. Two phases have been identified in the superconducting layers of the intermediate state and there is only one phase in the superconducting state of the bismuth-doped sample. The origin of the two phases in the intermediate state and that of the single phase in the superconducting state of the bismuth-doped sample are discussed. A qualitative explanation is presented for the occurrence of oscillatory attenuation in the intermediate state irrespective of the nature of the dopant and the selective occurrence of oscillatory attenuation in the superconducting state due to the nature of the dopant

  7. Exceptionally crystalline and conducting acid doped polyaniline films by level surface assisted solution casting approach

    Energy Technology Data Exchange (ETDEWEB)

    Puthirath, Anand B.; Varma, Sreekanth J.; Jayalekshmi, S., E-mail: jayalekshmi@cusat.ac.in [Division for Research in Advanced Materials, Department of Physics, Cochin University of Science and Technology, Cochin, Kerala 682022 (India); Methattel Raman, Shijeesh [Nanophotonic and Optoelectronic Devices Laboratory, Department of Physics, Cochin University of Science and Technology, Cochin, Kerala 682022 (India)

    2016-04-18

    Emeraldine salt form of polyaniline (PANI) was synthesized by chemical oxidative polymerisation method using ammonium persulfate as oxidant. Resultant emeraldine salt form of PANI was dedoped using ammonia solution and then re-doped with camphor sulphonic acid (CSA), naphthaline sulphonic acid (NSA), hydrochloric acid (HCl), and m-cresol. Thin films of these doped PANI samples were deposited on glass substrates using solution casting method with m-cresol as solvent. A level surface was employed to get homogeneous thin films of uniform thickness. Detailed X-ray diffraction studies have shown that the films are exceptionally crystalline. The crystalline peaks observed in the XRD spectra can be indexed to simple monoclinic structure. FTIR and Raman spectroscopy studies provide convincing explanation for the exceptional crystallinity observed in these polymer films. FESEM and AFM images give better details of surface morphology of doped PANI films. The DC electrical conductivity of the samples was measured using four point probe technique. It is seen that the samples also exhibit quite high DC electrical conductivity, about 287 S/cm for CSA doped PANI, 67 S/cm for NSA doped PANI 65 S/cm for HCl doped PANI, and just below 1 S/cm for m-cresol doped PANI. Effect of using the level surface for solution casting is studied and correlated with the observed crystallinity.

  8. Electronic properties and surface reactivity of SrO-terminated SrTiO3 and SrO-terminated iron-doped SrTiO3.

    Science.gov (United States)

    Staykov, Aleksandar; Tellez, Helena; Druce, John; Wu, Ji; Ishihara, Tatsumi; Kilner, John

    2018-01-01

    Surface reactivity and near-surface electronic properties of SrO-terminated SrTiO 3 and iron doped SrTiO 3 were studied with first principle methods. We have investigated the density of states (DOS) of bulk SrTiO 3 and compared it to DOS of iron-doped SrTiO 3 with different oxidation states of iron corresponding to varying oxygen vacancy content within the bulk material. The obtained bulk DOS was compared to near-surface DOS, i.e. surface states, for both SrO-terminated surface of SrTiO 3 and iron-doped SrTiO 3 . Electron density plots and electron density distribution through the entire slab models were investigated in order to understand the origin of surface electrons that can participate in oxygen reduction reaction. Furthermore, we have compared oxygen reduction reactions at elevated temperatures for SrO surfaces with and without oxygen vacancies. Our calculations demonstrate that the conduction band, which is formed mainly by the d-states of Ti, and Fe-induced states within the band gap of SrTiO 3 , are accessible only on TiO 2 terminated SrTiO 3 surface while the SrO-terminated surface introduces a tunneling barrier for the electrons populating the conductance band. First principle molecular dynamics demonstrated that at elevated temperatures the surface oxygen vacancies are essential for the oxygen reduction reaction.

  9. Doping Control Via Molecularly Engineered Surface Ligand Coordination

    KAUST Repository

    Yuan, Mingjian; Zhitomirsky, David; Adinolfi, Valerio; Voznyy, Oleksandr; Kemp, Kyle W.; Ning, Zhijun; Lan, Xinzheng; Xu, Jixian; Kim, Jin Young; Dong, Haopeng; Sargent, Edward H.

    2013-01-01

    A means to control the net doping of a CQD solid is identified via the design of the bidentate ligand crosslinking the material. The strategy does not rely on implementing different atmospheres at different steps in device processing, but instead is a robust strategy implemented in a single processing ambient. We achieve an order of magnitude difference in doping that allows us to build a graded photovoltaic device and maintain high current and voltage at maximum power-point conditions. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Doping Control Via Molecularly Engineered Surface Ligand Coordination

    KAUST Repository

    Yuan, Mingjian

    2013-08-05

    A means to control the net doping of a CQD solid is identified via the design of the bidentate ligand crosslinking the material. The strategy does not rely on implementing different atmospheres at different steps in device processing, but instead is a robust strategy implemented in a single processing ambient. We achieve an order of magnitude difference in doping that allows us to build a graded photovoltaic device and maintain high current and voltage at maximum power-point conditions. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Photocatalysis with chromium-doped TiO2: Bulk and surface doping

    KAUST Repository

    Ould-Chikh, Samy; Proux, Olivier; Afanasiev, Pavel V.; Khrouz, Lhoussain; Hedhili, Mohamed N.; Anjum, Dalaver H.; Harb, Moussab; Geantet, Christophe; Basset, Jean-Marie; Puzenat, Eric

    2014-01-01

    The photocatalytic properties of TiO2 modified by chromium are usually found to depend strongly on the preparation method. To clarify this problem, two series of chromium-doped titania with a chromium content of up to 1.56 wt % have been prepared

  12. Quenching of surface traps in Mn doped ZnO thin films for enhanced optical transparency

    International Nuclear Information System (INIS)

    Ilyas, Usman; Rawat, R.S.; Roshan, G.; Tan, T.L.; Lee, P.; Springham, S.V.; Zhang, Sam; Fengji Li; Chen, R.; Sun, H.D.

    2011-01-01

    The structural and photoluminescence analyses were performed on un-doped and Mn doped ZnO thin films grown on Si (1 0 0) substrate by pulsed laser deposition (PLD) and annealed at different post-deposition temperatures (500-800 deg. C). X-ray diffraction (XRD), employed to study the structural properties, showed an improved crystallinity at elevated temperatures with a consistent decrease in the lattice parameter 'c'. The peak broadening in XRD spectra and the presence of Mn 2p3/2 peak at ∼640 eV in X-ray Photoelectron Spectroscopic (XPS) spectra of the doped thin films confirmed the successful incorporation of Mn in ZnO host matrix. Extended near band edge emission (NBE) spectra indicated the reduction in the concentration of the intrinsic surface traps in comparison to the doped ones resulting in improved optical transparency. Reduced deep level emission (DLE) spectra in doped thin films with declined PL ratio validated the quenching of the intrinsic surface traps thereby improving the optical transparency and the band gap, essential for optoelectronic and spintronic applications. Furthermore, the formation and uniform distribution of nano-sized grains with improved surface features of Mn-doped ZnO thin films were observed in Field Emission Scanning Electron Microscopy (FESEM) images.

  13. In-surface confinement of topological insulator nanowire surface states

    International Nuclear Information System (INIS)

    Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann

    2015-01-01

    The bandstructures of [110] and [001] Bi 2 Te 3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects

  14. In-surface confinement of topological insulator nanowire surface states

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Fan W., E-mail: fanchen@purdue.edu [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); Jauregui, Luis A. [School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Tan, Yaohua [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Manfra, Michael [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Klimeck, Gerhard [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Chen, Yong P. [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Kubis, Tillmann [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States)

    2015-09-21

    The bandstructures of [110] and [001] Bi{sub 2}Te{sub 3} nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.

  15. In-surface confinement of topological insulator nanowire surface states

    Science.gov (United States)

    Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann

    2015-09-01

    The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.

  16. Surface Plasmons on Highly Doped InP

    DEFF Research Database (Denmark)

    Panah, Mohammad Esmail Aryaee; Ottaviano, Luisa; Semenova, Elizaveta

    2016-01-01

    Silicon doped InP is grown by metal-organic vapor phase epitaxy (MOVPE) using optimized growth parameters to achieve high free carrier concentration. Reflectance of the grown sample in mid-IR range is measured using FTIR and the result is used to retrieve the parameters of the dielectric function...

  17. Simple and greener synthesis of highly photoluminescence Mn{sup 2+}-doped ZnS quantum dots and its surface passivation mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yongbo; Liang, Xuhua; Ma, Xuan; Hu, Yahong [School of Chemical Engineering, Northwest University, No. 229 Taibai North Road, Xi’an, Shannxi, 710069 (China); Hu, Xiaoyun; Li, Xinghua [Department of Physics, Northwest University, No. 229 Taibai North Road, Xi’an, Shannxi, 710069 (China); Fan, Jun, E-mail: fanjun@nwu.edu.cn [School of Chemical Engineering, Northwest University, No. 229 Taibai North Road, Xi’an, Shannxi, 710069 (China)

    2014-10-15

    Graphical abstract: TEM and HRTEM (inset) images of the as-prepared Mn{sup 2+}-doped ZnS QDs and the passivation mechanism model of GSH-capped ZnS QDs (b). - Highlights: • Highly photoluminescent Mn{sup 2+}-doped ZnS quantum dots were synthesized by a simple synthetic method. • The effects of Mn{sup 2+} doping concentration, reaction time and temperature on PL intensity were investigated. • The mechanism of surface passivation was described. - Abstract: In this paper, we reported a simple synthetic method of highly photoluminescent (PL) and stable Mn{sup 2+}-doped ZnS quantum dots (QDs) with glutathione (GSH) as the capping molecule and focused on mechanism of the surface passivation of QDs. The Mn{sup 2+}-doped ZnS QDs that was synthesized in basic solution (pH 10) at 120 °C for 5 h exhibited blue trap-state emission around 418 nm and a strong orange-red emission at about 580 nm with an excitation wavelength of 330 nm. The optimum doping concentration is determined to be 1.5 at.%, and the present Mn{sup 2+}-doped ZnS QDs synthesized under the optimal reaction condition exhibited a quantum yield of 48%. High resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) indicated that the Mn{sup 2+}-doped ZnS QDs were 3–5 nm in size with a zinc blend structure. More importantly, the PL intensity and chemical stability can be improved using organic ligand modification strategies, it was found that GSH could passivate surface defects very efficiently by comparing and analyzing the results of the different organic ligands modification. The cadmium-free Mn{sup 2+}-doped ZnS QDs well-passivated with GSH as capping molecule acquired the advantages of strong PL and excellent chemical stability, which are important to QD applications.

  18. Point defect states in Sb-doped germanium

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Neil S., E-mail: neilp@mit.edu; Monmeyran, Corentin, E-mail: comonmey@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Agarwal, Anuradha [Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Kimerling, Lionel C. [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States)

    2015-10-21

    Defect states in n-type Sb-doped germanium were investigated by deep-level transient spectroscopy. Cobalt-60 gamma rays were used to generate isolated vacancies and interstitials which diffuse and react with impurities in the material to form four defect states (E{sub 37}, E{sub 30}, E{sub 22}, and E{sub 21}) in the upper half of the bandgap. Irradiations at 77 K and 300 K as well as isothermal anneals were performed to characterize the relationships between the four observable defects. E{sub 37} is assigned to the Sb donor-vacancy associate (E-center) and is the only vacancy containing defect giving an estimate of 2 × 10{sup 11 }cm{sup −3} Mrad{sup −1} for the uncorrelated vacancy-interstitial pair introduction rate. The remaining three defect states are interstitial associates and transform among one another. Conversion ratios between E{sub 22}, E{sub 21}, and E{sub 30} indicate that E{sub 22} likely contains two interstitials.

  19. Large optical conductivity of Dirac semimetal Fermi arc surface states

    Science.gov (United States)

    Shi, Li-kun; Song, Justin C. W.

    2017-08-01

    Fermi arc surface states, a hallmark of topological Dirac semimetals, can host carriers that exhibit unusual dynamics distinct from that of their parent bulk. Here we find that Fermi arc carriers in intrinsic Dirac semimetals possess a strong and anisotropic light-matter interaction. This is characterized by a large Fermi arc optical conductivity when light is polarized transverse to the Fermi arc; when light is polarized along the Fermi arc, Fermi arc optical conductivity is significantly muted. The large surface spectral weight is locked to the wide separation between Dirac nodes and persists as a large Drude weight of Fermi arc carriers when the system is doped. As a result, large and anisotropic Fermi arc conductivity provides a novel means of optically interrogating the topological surfaces states of Dirac semimetals.

  20. Spectroscopic characterization of a single dangling bond on a bare Si(100)- c ( 4 × 2 ) surface for n - and p -type doping

    KAUST Repository

    Mantega, M.; Rungger, I.; Naydenov, B.; Boland, J. J.; Sanvito, S.

    2012-01-01

    We investigate the charging state of an isolated single dangling bond formed on an unpassivated Si(100) surface with c(4×2) reconstruction, by comparing scanning tunneling microscopy and spectroscopy analysis with density functional theory calculations. The dangling bond is created by placing a single hydrogen atom on the bare surface with the tip of a scanning tunneling microscope. The H atom passivates one of the dimer dangling bonds responsible for the surface one-dimensional electronic structure. This leaves a second dangling at the reacted surface dimer which breaks the surface periodicity. We consider two possible H adsorption configurations for both the neutral and the doped situation (n- and p-type). In the case of n-doping we find that the single dangling bond state is doubly occupied and the most stable configuration is that with H bonded to the bottom Si atom of the surface dimer. In the case of p-doping the dangling bond is instead empty and the configuration with the H attached to the top atom of the dimer is the most stable. Importantly the two configurations have different scattering properties and phase shift fingerprints. This might open up interesting perspectives for fabricating a switching device by tuning the doping level or by locally charging the single dangling bond state. © 2012 American Physical Society.

  1. Spectroscopic characterization of a single dangling bond on a bare Si(100)- c ( 4 × 2 ) surface for n - and p -type doping

    KAUST Repository

    Mantega, M.

    2012-07-19

    We investigate the charging state of an isolated single dangling bond formed on an unpassivated Si(100) surface with c(4×2) reconstruction, by comparing scanning tunneling microscopy and spectroscopy analysis with density functional theory calculations. The dangling bond is created by placing a single hydrogen atom on the bare surface with the tip of a scanning tunneling microscope. The H atom passivates one of the dimer dangling bonds responsible for the surface one-dimensional electronic structure. This leaves a second dangling at the reacted surface dimer which breaks the surface periodicity. We consider two possible H adsorption configurations for both the neutral and the doped situation (n- and p-type). In the case of n-doping we find that the single dangling bond state is doubly occupied and the most stable configuration is that with H bonded to the bottom Si atom of the surface dimer. In the case of p-doping the dangling bond is instead empty and the configuration with the H attached to the top atom of the dimer is the most stable. Importantly the two configurations have different scattering properties and phase shift fingerprints. This might open up interesting perspectives for fabricating a switching device by tuning the doping level or by locally charging the single dangling bond state. © 2012 American Physical Society.

  2. Insight into doping efficiency of organic semiconductors from the analysis of the density of states in n-doped C60 and ZnPc

    Science.gov (United States)

    Gaul, Christopher; Hutsch, Sebastian; Schwarze, Martin; Schellhammer, Karl Sebastian; Bussolotti, Fabio; Kera, Satoshi; Cuniberti, Gianaurelio; Leo, Karl; Ortmann, Frank

    2018-05-01

    Doping plays a crucial role in semiconductor physics, with n-doping being controlled by the ionization energy of the impurity relative to the conduction band edge. In organic semiconductors, efficient doping is dominated by various effects that are currently not well understood. Here, we simulate and experimentally measure, with direct and inverse photoemission spectroscopy, the density of states and the Fermi level position of the prototypical materials C60 and zinc phthalocyanine n-doped with highly efficient benzimidazoline radicals (2-Cyc-DMBI). We study the role of doping-induced gap states, and, in particular, of the difference Δ1 between the electron affinity of the undoped material and the ionization potential of its doped counterpart. We show that this parameter is critical for the generation of free carriers and influences the conductivity of the doped films. Tuning of Δ1 may provide alternative strategies to optimize the electronic properties of organic semiconductors.

  3. Microstructure, ferromagnetic and photoluminescence properties of ITO and Cr doped ITO nanoparticles using solid state reaction

    Energy Technology Data Exchange (ETDEWEB)

    Babu, S. Harinath [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Kaleemulla, S., E-mail: skaleemulla@gmail.com [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Rao, N. Madhusudhana [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Rao, G. Venugopal [Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102, Tamilnadu (India); Krishnamoorthi, C. [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India)

    2016-11-01

    Indium-tin-oxide (ITO) (In{sub 0.95}Sn{sub 0.05}){sub 2}O{sub 3} and Cr doped indium-tin-oxide (In{sub 0.90}Sn{sub 0.05}Cr{sub 0.05}){sub 2}O{sub 3} nanoparticles were prepared using simple low cost solid state reaction method and characterized by different techniques to study their structural, optical and magnetic properties. Microstructures, surface morphology, crystallite size of the nanoparticles were studied using X-ray diffractometer (XRD), field emission scanning electron microscope (FE-SEM). From these methods it was found that the particles were about 45 nm. Chemical composition and valence states of the nanoparticles were studied using energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). From these techniques it was observed that the elements of indium, tin, chromium and oxygen were present in the system in appropriate ratios and they were in +3, +4, +3 and −2 oxidation states. Raman studies confirmed that the nanoparticle were free from unintentional impurities. Two broad emission peaks were observed at 330 nm and 460 nm when excited wavelength of 300 nm. Magnetic studies were carried out at 300 K and 100 K using vibrating sample magnetometer (VSM) and found that the ITO nanoparticles were ferromagnetic at 100 K and 300 K. Where-as the room temperature ferromagnetism completely disappeared in Cr doped ITO nanoparticles at 100 K and 300 K.

  4. Microstructure, ferromagnetic and photoluminescence properties of ITO and Cr doped ITO nanoparticles using solid state reaction

    Science.gov (United States)

    Babu, S. Harinath; Kaleemulla, S.; Rao, N. Madhusudhana; Rao, G. Venugopal; Krishnamoorthi, C.

    2016-11-01

    Indium-tin-oxide (ITO) (In0.95Sn0.05)2O3 and Cr doped indium-tin-oxide (In0.90Sn0.05Cr0.05)2O3 nanoparticles were prepared using simple low cost solid state reaction method and characterized by different techniques to study their structural, optical and magnetic properties. Microstructures, surface morphology, crystallite size of the nanoparticles were studied using X-ray diffractometer (XRD), field emission scanning electron microscope (FE-SEM). From these methods it was found that the particles were about 45 nm. Chemical composition and valence states of the nanoparticles were studied using energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). From these techniques it was observed that the elements of indium, tin, chromium and oxygen were present in the system in appropriate ratios and they were in +3, +4, +3 and -2 oxidation states. Raman studies confirmed that the nanoparticle were free from unintentional impurities. Two broad emission peaks were observed at 330 nm and 460 nm when excited wavelength of 300 nm. Magnetic studies were carried out at 300 K and 100 K using vibrating sample magnetometer (VSM) and found that the ITO nanoparticles were ferromagnetic at 100 K and 300 K. Where-as the room temperature ferromagnetism completely disappeared in Cr doped ITO nanoparticles at 100 K and 300 K.

  5. Effect of doping on electronic states in B-doped polycrystalline CVD diamond films

    International Nuclear Information System (INIS)

    Elsherif, O S; Vernon-Parry, K D; Evans-Freeman, J H; May, P W

    2012-01-01

    High-resolution Laplace deep-level transient spectroscopy (LDLTS) and thermal admittance spectroscopy (TAS) have been used to determine the effect of boron (B) concentration on the electronic states in polycrystalline chemical vapour deposition diamond thin films grown on silicon by the hot filament method. A combination of high-resolution LDLTS and direct-capture cross-sectional measurements was used to investigate whether the deep electronic states present in the layers originated from point or extended defects. There was good agreement between data on deep electronic levels obtained from DLTS and TAS experiments. Two hole traps, E1 (0.29 eV) and E2 (0.53 eV), were found in a film with a boron content of 1 × 10 19 cm −3 . Both these levels and an additional level, E3 (0.35 eV), were found when the B content was increased to 4 × 10 19 cm −3 . Direct capture cross-sectional measurements of levels E1 and E2 show an unusual dependence on the fill-pulse duration which is interpreted as possibly indicating that the levels are part of an extended defect. The E3 level found in the more highly doped film consisted of two closely spaced levels, both of which show point-like defect characteristics. The E1 level may be due to B-related extended defects within the grain boundaries, whereas the ionization energy of the E2 level is in agreement with literature values from ab initio calculations for B–H complexes. We suggest that the E3 level is due to isolated B-related centres in bulk diamond. (paper)

  6. Theory of quasiparticle surface states in semiconductor surfaces

    International Nuclear Information System (INIS)

    Hybertsen, M.S.; Louie, S.G.

    1988-01-01

    A first-principles theory of the quasiparticle surface-state energies on semiconductor surfaces is developed. The surface properties are calculated using a repeated-slab geometry. Many-body effects due to the electron-electron interaction are represented by the electron self-energy operator including the full surface Green's function and local fields and dynamical screening effects in the Coulomb interaction. Calculated surface-state energies for the prototypical Si(111):As and Ge(111):As surfaces are presented. The calculated energies and dispersions for the occupied surface states (resonances) are in excellent agreement with recent angle-resolved photoemission data. Predictions are made for the position of empty surface states on both surfaces which may be experimentally accessible. The resulting surface state gap at Gamma-bar for Si(111):As agrees with recent scanning-tunneling-spectroscopy measurements. Comparison of the present results to eigenvalues from the local-density-functional calculation reveals substantial corrections for the gaps between empty and occupied surface states. This correction is found to depend on the character of the surface states involved

  7. Effect of Ag Doping on the Electronic Structure and Optical Properties of ZnO(0001 Surface

    Directory of Open Access Journals (Sweden)

    Xiang Qian

    2018-01-01

    Full Text Available Using first-principle calculations, the geometrical structure, the electronic and optical properties of Ag-doped ZnO(0001 surface have been investigated. We found that Ag-doped ZnO(0001 surface is more easily formed on the first layer. On the other hand, the doped surface has gradually become an equipotential body, showing obvious metallic characteristics. We found that a new peak appeared in the low energy region after Ag doping, which was mainly due to the electron transition between the two orbital levels of Ag-4d and O-2p.

  8. Hybridized electronic states in potassium-doped picene probed by soft x-ray spectroscopies

    Directory of Open Access Journals (Sweden)

    Hiroyuki Yamane

    2012-12-01

    Full Text Available The electronic structure of the unoccupied and occupied states of potassium (K-doped and undoped picene crystalline films has been investigated by using the element-selective and bulk-sensitive photon-detection methods of X-ray absorption and emission spectroscopies. We observed the formation of the doping-induced unoccupied and occupied electronic states in K-doped picene. By applying the inner-shell resonant-excitation experiments, we observed the evidence for the orbital hybridization between K and picene near the Fermi energy. Furthermore, the resonant X-ray emission experiment suggests the presence of the Raman-active vibronic interaction in K-doped picene. These experimental evidences play a crucial role in the superconductivity of K-doped picene.

  9. Surface morphology and physical properties of partially melt textured Mn doped Bi-2223

    Directory of Open Access Journals (Sweden)

    Indu Verma

    2011-09-01

    Full Text Available The samples of Bi2Sr2Ca2Cu3-xMnxO10+δ (x = 0.0 to 0.30 were prepared by the standard solid-state reaction method. The phase identification characteristics of synthesized (HTSC materials were explored through powder X-ray diffractometer reveals that all the samples crystallize in orthorhombic structure with lattice parameters a = 5.4053 Å, b = 5.4110 Å and c = 37.0642 Å up to Mn concentration of x = 0.30. The critical temperature (Tc measured by standard four probe method has been found to depress from 108 K to 70 K as Mn content (x increases from 0.00 to 0.30. The effects of sintering temperature on the surface morphology of Bi2Sr2Ca2Cu3-xMnxO10+δ have also been investigated. The surface morphology investigated through scanning electron microscope and atomic force microscopy (SEM & AFM results that voids are decreasing but grains size increases as the Mn concentration increases besides, nanosphere like structures on the surface of the Mn doped Bi2Sr2Ca2Cu3-xMnxO10+δ (Bi-2223 samples.

  10. Intermodulation distortion and surface resistance in impurity-doped YBCO and MgB{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Agassi, Y.D. [Naval Surface Warfare Center, Carderock Division, Bethesda, MD 20817 (United States); Oates, D.E., E-mail: oates@ll.mit.edu [MIT-Lincoln Laboratory, Lexington, MA 02420 (United States)

    2014-11-15

    Highlights: • Calculations of impurity-doping effects on surface resistance and intermodulation distortion. • The calculations are compared with previously published measurements in YBCO and MgB{sub 2}. • Excellent agreement between calculations and experiments are shown. • The effects of the symmetry of the energy gap are presented and discussed. - Abstract: Calculations of the microwave intermodulation distortion (IMD) and surface resistance of impurity-doped YBCO, MgB{sub 2} and Nb are presented. These are qualitatively distinct superconductors due to their energy-gap symmetries, d-wave (ℓ = 2), i-wave (ℓ = 6) and s-wave (ℓ = 0), respectively. The calculations are compared with previously published IMD and surface-resistance measurements of impurity-doped YBCO and Nb. The agreement between the data and fitted calculations is excellent in all cases. In the absence of IMD and surface-resistance measurements for doped MgB{sub 2}, we present representative predictions. The calculations are based on a Green’s-function approach that yields analytical expressions for the penetration depth and the nonlinear kernel in the constitutive relation. This penetration-depth expression reproduces the measured T{sup 2} low-temperature variation for doped superconductors and the surface-resistance reduction over that of the pure material. Regarding the IMD in superconductors with a nodal energy gap, the effect of doping is to enhance its magnitude and suppress its low-temperature 1/T{sup 2} divergence predicted by the nonlinear Meissner effect.

  11. Surface states in an external electric field

    International Nuclear Information System (INIS)

    Steslicka, M.

    1975-10-01

    Under conditions typical for field ion microscopy, true surface states can exist. Their shift towards higher energies can be quite significant and, moreover, additional surface levels at still higher energies can appear. The latter can play an important role in the process of tunneling of image gas electrons into surface states

  12. Relation between film thickness and surface doping of MoS2 based field effect transistors

    Science.gov (United States)

    Lockhart de la Rosa, César J.; Arutchelvan, Goutham; Leonhardt, Alessandra; Huyghebaert, Cedric; Radu, Iuliana; Heyns, Marc; De Gendt, Stefan

    2018-05-01

    Ultra-thin MoS2 film doping through surface functionalization with physically adsorbed species is of great interest due to its ability to dope the film without reduction in the carrier mobility. However, there is a need for understanding how the thickness of the MoS2 film is related to the induced surface doping for improved electrical performance. In this work, we report on the relation of MoS2 film thickness with the doping effect induced by the n-dopant adsorbate poly(vinyl-alcohol). Field effect transistors built using MoS2 films of different thicknesses were electrically characterized, and it was observed that the ION/OFF ratio after doping in thin films is more than four orders of magnitudes greater when compared with thick films. Additionally, a semi-classical model tuned with the experimental devices was used to understand the spatial distribution of charge in the channel and explain the observed behavior. From the simulation results, it was revealed that the two-dimensional carrier density induced by the adsorbate is distributed rather uniformly along the complete channel for thin films (<5.2 nm) contrary to what happens for thicker films.

  13. High-Surface-Area Nitrogen-Doped Reduced Graphene Oxide for Electric Double-Layer Capacitors.

    Science.gov (United States)

    Youn, Hee-Chang; Bak, Seong-Min; Kim, Myeong-Seong; Jaye, Cherno; Fischer, Daniel A; Lee, Chang-Wook; Yang, Xiao-Qing; Roh, Kwang Chul; Kim, Kwang-Bum

    2015-06-08

    A two-step method consisting of solid-state microwave irradiation and heat treatment under NH3 gas was used to prepare nitrogen-doped reduced graphene oxide (N-RGO) with a high specific surface area (1007 m(2)  g(-1) ), high electrical conductivity (1532 S m(-1) ), and low oxygen content (1.5 wt %) for electrical double-layer capacitor applications. The specific capacitance of N-RGO was 291 F g(-1) at a current density of 1 A g(-1) , and a capacitance of 261 F g(-1) was retained at 50 A g(-1) , which indicated a very good rate capability. N-RGO also showed excellent cycling stability and preserved 96 % of the initial specific capacitance after 100 000 cycles. Near-edge X-ray absorption fine-structure spectroscopy results provided evidenced for the recovery of π conjugation in the carbon networks with the removal of oxygenated groups and revealed chemical bonding of the nitrogen atoms in N-RGO. The good electrochemical performance of N-RGO is attributed to its high surface area, high electrical conductivity, and low oxygen content. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Nitrogen-doped Carbon Microfiber with Wrinkled Surface for High Performance Supercapacitors

    Science.gov (United States)

    Liu, Ruili; Pan, Lixia; Jiang, Jianzhong; Xi, Xin; Liu, Xiaoxue; Wu, Dongqing

    2016-02-01

    In this work, nitrogen-doped carbon microfiber (NCMF) is fabricated via a facile co-assembly of natural silk and graphene oxide (GO) and the following thermal treatment. The amphiphilic nature of GO endows NCMF a crumpled surface with a high surface area of 115 m2 g-1. As the binder-free electrode in electrical double-layer capacitors, NCMF shows an excellent capacitance of 196 F g-1 at scan rate of 5 mV s-1, which is almost four times higher than that of the pristine CMF from silk (55 F g-1). Additionally, the capacitance of NCMF can be kept around 92 F g-1 at a high scan rate of 300 mV s-1 even after 10000 cycles. More importantly, a high energy density (≈22.7 μW h cm-2) and power density (≈10.26 mW cm-2) are achieved by the all-solid-state supercapacitor based on NCMF.

  15. Determination of chemical state of Al doping element in ZnO layer

    International Nuclear Information System (INIS)

    Csik, A.; Toth, J.; Lovics, R.; Takats, V.; Hakl, J.; Vad, K.

    2011-01-01

    Complete text of publication follows. Transparent and conducting oxides (TCO) thin films are very important from the scientific and technological point of view. The coexistence of electrical conductivity and optical transparency in these materials makes it possible to use them in modern technologies: transparent electrodes for flat panel displays and photovoltaic cells, low emissivity windows, transparent thin films transistors, light emitting diodes. One of the important TCO semiconductors is the impurity-doped zinc-oxide (ZnO) layer, for example aluminium doped zinc-oxide layer (AZO), due to its unique physical and chemical properties. It has wide band gap (3.44 eV) and large exciton binding energy (60 meV). ZnO thin layers have a great interest for potential applications in optical and optoelectronic devices. Furthermore, high quality single crystal ZnO wafers has already been available as a result of new developments in ZnO growth technologies with the capability to scale up wafer size, which is an important factor for increasing efficiency of solar cells. Nonetheless, in order to enable the use of ZnO layers with enhanced electrical properties, higher conductivities can be obtained by doping with donor elements such as aluminium, gallium, indium, boron or fluorine. Investigation of p-type doping possibilities, diffusion processes and thermal stability of these layers are in the focus of interest in the interpretation of their optical and electrical properties, and the prediction of their lifetime. In our SNMS/SIMS-XPS laboratory, experiments on TCO layered structures were carried on. Depth profile and chemical state analyses of ZnO/AlO/ZnO layered structures were performed by Secondary Neutral Mass Spectrometry (SNMS) and X-ray photoelectron spectroscopy (XPS). The samples were produced by atomic layer deposition technique with the following layered structure: between a few hundred atomic layers of ZnO was an AlO atomic layer. The SNMS was used for depth

  16. Distinct effects of Cr bulk doping and surface deposition on the chemical environment and electronic structure of the topological insulator Bi{sub 2}Se{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, Turgut, E-mail: yilmaz@phys.uconn.edu [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Hines, William [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Sun, Fu-Chang [Department of Materials Science and Engineering, University of Connecticut, Storrs, CT 06269 (United States); Pletikosić, Ivo [Department of Physics, Princeton University, Princeton, NJ 08544 (United States); Budnick, Joseph [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Valla, Tonica [Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Sinkovic, Boris [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States)

    2017-06-15

    Highlights: • Cr doping into the bulk of Bi{sub 2}Se{sub 3} opens an energy gap at the Dirac point which is observable in the non-magnetic state. • Cr surface deposition does not lead to open an energy gap at the Dirac point of Bi{sub 2}Se{sub 3}. • Formation of two distinct Bi and Cr core level peaks was observed upon the deposition of Cr on the surface of Bi{sub 2}Se{sub 3}. - Abstract: In this report, it is shown that Cr doped into the bulk and Cr deposited on the surface of Bi{sub 2}Se{sub 3} films produced by molecular beam epitaxy (MBE) have strikingly different effects on both the electronic structure and chemical environment. Angle resolved photoemission spectroscopy (ARPES) shows that Cr doped into the bulk opens a surface state energy gap which can be seen at room temperature; much higher than the measured ferromagnetic transition temperature of ≈10 K. On the other hand, similar ARPES measurements show that the surface states remain gapless down to 15 K for films with Cr surface deposition. In addition, core-level photoemission spectroscopy of the Bi 5d, Se 3d, and Cr 3p core levels show distinct differences in the chemical environment for the two methods of Cr introduction. Surface deposition of Cr results in the formation of shoulders on the lower binding energy side for the Bi 5d peaks and two distinct Cr 3p peaks indicative of two Cr sites. These striking differences suggests an interesting possibility that better control of doping at only near surface region may offer a path to quantum anomalous Hall states at higher temperatures than reported in the literature.

  17. Mechanical, dielectric and surface analysis of hydroxyapatite doped anions for implantations

    Science.gov (United States)

    Helen, S.; Kumar, A. Ruban

    2018-04-01

    Calcium Phosphate has broad applications in field of medicine and in tissue engineering. In that hydroxyapatite is one of the calcium phosphate similar to bone and teeth mineral phase. The aim of this paper is to improve mechanical property of hydroxyapatite which has less mechanical strength by doping of ions. The ions increase its strength which can be used in various medical applications. Surface property of hydroxyapatite and electrical property of ion doped hydroxyapatite analyzed and shown that it can be used in implantations, coatings.

  18. The effect of Ni and Fe doping on Hall anomaly in vortex state of doped YBCO samples

    Directory of Open Access Journals (Sweden)

    M Nazarzadeh

    2010-09-01

    Full Text Available We have investigated hall effect on YBa2Cu3-xMxO7-δ (M=Ni, Fe bulk samples, with dopant amount 0 ≤ x ≤ 0.045 for Ni and 0 ≤ x ≤ 0.03 for Fe, with magnetic field (H=2.52, 4.61, 6.27 kOe perpendicular to sample’s surface with constant current 100 mA. Our study shows that as both dopants increases, TC decreases and it decreases faster by Ni . In these ranges of dopant and magnetic field the Hall sign reversal has been observed in all samples once and also ∆max has occurred in lower temperatures, its magnitude increases by Ni, and in Fe doped samples except in sample with dopant amount x=0.03, which almost decreases, that it can show effect of magnetic doping on hall effect.

  19. Passivation of phosphorus diffused silicon surfaces with Al2O3: Influence of surface doping concentration and thermal activation treatments

    International Nuclear Information System (INIS)

    Richter, Armin; Benick, Jan; Kimmerle, Achim; Hermle, Martin; Glunz, Stefan W.

    2014-01-01

    Thin layers of Al 2 O 3 are well known for the excellent passivation of p-type c-Si surfaces including highly doped p + emitters, due to a high density of fixed negative charges. Recent results indicate that Al 2 O 3 can also provide a good passivation of certain phosphorus-diffused n + c-Si surfaces. In this work, we studied the recombination at Al 2 O 3 passivated n + surfaces theoretically with device simulations and experimentally for Al 2 O 3 deposited with atomic layer deposition. The simulation results indicate that there is a certain surface doping concentration, where the recombination is maximal due to depletion or weak inversion of the charge carriers at the c-Si/Al 2 O 3 interface. This pronounced maximum was also observed experimentally for n + surfaces passivated either with Al 2 O 3 single layers or stacks of Al 2 O 3 capped by SiN x , when activated with a low temperature anneal (425 °C). In contrast, for Al 2 O 3 /SiN x stacks activated with a short high-temperature firing process (800 °C) a significant lower surface recombination was observed for most n + diffusion profiles without such a pronounced maximum. Based on experimentally determined interface properties and simulation results, we attribute this superior passivation quality after firing to a better chemical surface passivation, quantified by a lower interface defect density, in combination with a lower density of negative fixed charges. These experimental results reveal that Al 2 O 3 /SiN x stacks can provide not only excellent passivation on p + surfaces but also on n + surfaces for a wide range of surface doping concentrations when activated with short high-temperature treatments

  20. Micro-orientation control of silicon polymer thin films on graphite surfaces modified by heteroatom doping

    Energy Technology Data Exchange (ETDEWEB)

    Shimoyama, Iwao, E-mail: shimoyama.iwao@jaea.go.jp [Material Science Research Center, Atomic Energy Agency, Tokai-mura 2-4, Naka-gun, Ibaraki 319-1195 (Japan); Baba, Yuji [Fukushima Administrative Department, Atomic Energy Agency, Tokai-mura 2-4, Naka-gun, Ibaraki 319-1195 (Japan); Hirao, Norie [Material Science Research Center, Atomic Energy Agency, Tokai-mura 2-4, Naka-gun, Ibaraki 319-1195 (Japan)

    2017-05-31

    Highlights: • Micro-orientation control method for organic polysilane thin films is proposed. • This method utilizes surface modification of graphite using heteroatom doping. • Lying, standing, and random orientations can be freely controlled by this method. • Micro-pattering of a polysilane film with controlled orientations is achieved. - Abstract: Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy is applied to study orientation structures of polydimethylsilane (PDMS) films deposited on heteroatom-doped graphite substrates prepared by ion beam doping. The Si K-edge NEXAFS spectra of PDMS show opposite trends of polarization dependence for non irradiated and N{sub 2}{sup +}-irradiated substrates, and show no polarization dependence for an Ar{sup +}-irradiated substrate. Based on a theoretical interpretation of the NEXAFS spectra via first-principles calculations, we clarify that PDMS films have lying, standing, and random orientations on the non irradiated, N{sub 2}{sup +}-irradiated, and Ar{sup +}-irradiated substrates, respectively. Furthermore, photoemission electron microscopy indicates that the orientation of a PDMS film can be controlled with microstructures on the order of μm by separating irradiated and non irradiated areas on the graphite surface. These results suggest that surface modification of graphite using ion beam doping is useful for micro-orientation control of organic thin films.

  1. Topological surface states scattering in antimony

    KAUST Repository

    Narayan, Awadhesh; Rungger, Ivan; Sanvito, Stefano

    2012-01-01

    In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

  2. Topological surface states scattering in antimony

    KAUST Repository

    Narayan, Awadhesh

    2012-11-05

    In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

  3. Enhanced Manifold of States Achieved in Heterostructures of Iron Selenide and Boron-Doped Graphene

    Directory of Open Access Journals (Sweden)

    Valentina Cantatore

    2017-10-01

    Full Text Available Enhanced superconductivity is sought by employing heterostructures composed of boron-doped graphene and iron selenide. Build-up of a composite manifold of near-degenerate noninteracting states formed by coupling top-of-valence-band states of FeSe to bottom-of-conduction-band states of boron-doped graphene is demonstrated. Intra- and intersubsystem excitons are explored by means of density functional theory in order to articulate a normal state from which superconductivity may emerge. The results are discussed in the context of electron correlation in general and multi-band superconductivity in particular.

  4. Osmium Atoms and Os2 Molecules Move Faster on Selenium-Doped Compared to Sulfur-Doped Boronic Graphenic Surfaces.

    Science.gov (United States)

    Barry, Nicolas P E; Pitto-Barry, Anaïs; Tran, Johanna; Spencer, Simon E F; Johansen, Adam M; Sanchez, Ana M; Dove, Andrew P; O'Reilly, Rachel K; Deeth, Robert J; Beanland, Richard; Sadler, Peter J

    2015-07-28

    We deposited Os atoms on S- and Se-doped boronic graphenic surfaces by electron bombardment of micelles containing 16e complexes [Os(p-cymene)(1,2-dicarba-closo-dodecarborane-1,2-diselenate/dithiolate)] encapsulated in a triblock copolymer. The surfaces were characterized by energy-dispersive X-ray (EDX) analysis and electron energy loss spectroscopy of energy filtered TEM (EFTEM). Os atoms moved ca. 26× faster on the B/Se surface compared to the B/S surface (233 ± 34 pm·s(-1) versus 8.9 ± 1.9 pm·s(-1)). Os atoms formed dimers with an average Os-Os distance of 0.284 ± 0.077 nm on the B/Se surface and 0.243 ± 0.059 nm on B/S, close to that in metallic Os. The Os2 molecules moved 0.83× and 0.65× more slowly than single Os atoms on B/S and B/Se surfaces, respectively, and again markedly faster (ca. 20×) on the B/Se surface (151 ± 45 pm·s(-1) versus 7.4 ± 2.8 pm·s(-1)). Os atom motion did not follow Brownian motion and appears to involve anchoring sites, probably S and Se atoms. The ability to control the atomic motion of metal atoms and molecules on surfaces has potential for exploitation in nanodevices of the future.

  5. Protection of surface states in topological nanoparticles

    Science.gov (United States)

    Siroki, Gleb; Haynes, Peter D.; Lee, Derek K. K.; Giannini, Vincenzo

    2017-07-01

    Topological insulators host protected electronic states at their surface. These states show little sensitivity to disorder. For miniaturization one wants to exploit their robustness at the smallest sizes possible. This is also beneficial for optical applications and catalysis, which favor large surface-to-volume ratios. However, it is not known whether discrete states in particles share the protection of their continuous counterparts in large crystals. Here we study the protection of the states hosted by topological insulator nanoparticles. Using both analytical and tight-binding simulations, we show that the states benefit from the same level of protection as those on a planar surface. The results hold for many shapes and sustain surface roughness which may be useful in photonics, spectroscopy, and chemistry. They complement past studies of large crystals—at the other end of possible length scales. The protection of the nanoparticles suggests that samples of all intermediate sizes also possess protected states.

  6. Electron spectroscopy of nanodiamond surface states

    Energy Technology Data Exchange (ETDEWEB)

    Belobrov, P.I.; Bursill, L.A.; Maslakov, K.I.; Dementjev, A.P

    2003-06-15

    Electronic states of nanodiamond (ND) were investigated by PEELS, XPS and CKVV Auger spectra. Parallel electron energy loss spectra (PEELS) show that the electrons inside of ND particles are sp{sup 3} hybridized but there is a surface layer containing distinct hybridized states. The CKVV Auger spectra imply that the HOMO of the ND surface has a shift of 2.5 eV from natural diamond levels of {sigma}{sub p} up to the Fermi level. Hydrogen (H) treatment of natural diamond surface produces a chemical state indistinguishable from that of ND surfaces using CKVV. The ND electronic structure forms {sigma}{sub s}{sup 1}{sigma}{sub p}{sup 2}{pi}{sup 1} surface states without overlapping of {pi}-levels. Surface electronic states, including surface plasmons, as well as phonon-related electronic states of the ND surface are also interesting and may also be important for field emission mechanisms from the nanostructured diamond surface.

  7. Influence of silver doping on surface defect characteristics of TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tripathi, S. K., E-mail: surya@pu.ac.in [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (India); Rani, Mamta [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (India); Department of Physics, DAV University Jalandhar, - 144 001, Punjab (India)

    2015-08-28

    In the present work, we proposed a novel silver doped TiO{sub 2} polyethylene conjugated films to improve the performance of DSSCs. Oxides nanoparticles dispersed in a semiconducting polymer form the active layer of a solar cell. Localized surface plasmon resonance effects associated with spatially dispersed silver (Ag) nanoparticles can be exploited to enhance the light-harvesting efficiency, the photocurrent density and the overall light-to electrical-energy-conversion efficiency of high-area DSSCs based TiO{sub 2} photoanodes. Silver doped titanium dioxide (TiO{sub 2}:Ag) is prepared by sol-gel technique and deposited on fluorine doped indium oxide (FTO) coated glass substrates by using doctor blade technique at 550°C from aqueous solutions of titanium butoxide and silver nitrate precursors. The effect of Ag doping on electrical properties of films is studied. The Ag-TiO{sub 2} films are about 548 times more photosensitive as compare to the pure TiO{sub 2} sample. The presence of metallic Ag nanoparticles and oxygen vacancy on the surface of TiO{sub 2} nanoparticles promotes the separation of photogenerated electron-hole pairs and thus enhances the photosensitivity. Photoconduction mechanism of all prepared samples is investigated by performing transient photoconductivity measurements on TiO{sub 2} and Ag-TiO{sub 2} films keeping intensity of light constant.

  8. Brillouin spectroscopy with surface acoustic waves on intermediate valent, doped SmS

    International Nuclear Information System (INIS)

    Schaerer, U.; Jung, A.; Wachter, P.

    1998-01-01

    Brillouin scattering on surface acoustic waves is a very powerful tool to determine the elastic constants of intermediate valent crystals, since the method is non-destructive and no mechanical contact is needed. A strong evidence for intermediate valence is a negative value of Poisson's ratio, which describes the behavior of the volume under uniaxial pressure. SmS by itself makes a semiconductor-metal transition at a pressure of more than 6.5 kbar. When substituting the divalent Sm by a trivalent cation, like Y, La or Tm, SmS can become - depending on the doping concentration - intermediate valent without any applied, external pressure. In this work, we will present measurements of the velocities of the surface acoustic waves and the calculation of the elastic constants of La- and Tm-doped SmS compounds. We found a clear dependence of Poisson's ratio on the doping concentration and on the valence of the materials. Furthermore, we will discuss the mechanism leading to intermediate valence when substituting Sm. Besides the internal, chemical pressure, which is produced by the built in trivalent cations with their smaller ionic radii, we have clear evidence, that the free electrons in the 5d band, induced by the substituting atoms, also play an important role in making doped SmS intermediate valent. (orig.)

  9. Reduction Expansion Synthesis as Strategy to Control Nitrogen Doping Level and Surface Area in Graphene

    Directory of Open Access Journals (Sweden)

    Russell Canty

    2015-10-01

    Full Text Available Graphene sheets doped with nitrogen were produced by the reduction-expansion (RES method utilizing graphite oxide (GO and urea as precursor materials. The simultaneous graphene generation and nitrogen insertion reactions are based on the fact that urea decomposes upon heating to release reducing gases. The volatile byproducts perform two primary functions: (i promoting the reduction of the GO and (ii providing the nitrogen to be inserted in situ as the graphene structure is created. Samples with diverse urea/GO mass ratios were treated at 800 °C in inert atmosphere to generate graphene with diverse microstructural characteristics and levels of nitrogen doping. Scanning electron microscopy (SEM and transmission electron microscopy (TEM were used to study the microstructural features of the products. The effects of doping on the samples structure and surface area were studied by X-ray diffraction (XRD, Raman Spectroscopy, and Brunauer Emmet Teller (BET. The GO and urea decomposition-reduction process as well as nitrogen-doped graphene stability were studied by thermogravimetric analysis (TGA coupled with mass spectroscopy (MS analysis of the evolved gases. Results show that the proposed method offers a high level of control over the amount of nitrogen inserted in the graphene and may be used alternatively to control its surface area. To demonstrate the practical relevance of these findings, as-produced samples were used as electrodes in supercapacitor and battery devices and compared with conventional, thermally exfoliated graphene.

  10. Density functional theory study of elemental mercury adsorption on boron doped graphene surface decorated by transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Jungsuttiwong, Siriporn, E-mail: siriporn.j@ubu.ac.th [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190 (Thailand); Wongnongwa, Yutthana [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190 (Thailand); Namuangruk, Supawadee [National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Klong Luang, Pathum Thani 12120 (Thailand); Kungwan, Nawee [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Promarak, Vinich [Department of Material Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology, Rayong 21210 (Thailand); Kunaseth, Manaschai, E-mail: manaschai@nanotec.or.th [National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Klong Luang, Pathum Thani 12120 (Thailand)

    2016-01-30

    Graphical abstract: Decoration of Pd{sub 4}-A (square planar) on B-doped graphene significantly promotes Hg{sup 0} adsorption, a single site of Pd{sub 4} cluster on BDG could strongly adsorb up to six Hg atoms. - Highlights: • Transition metal atom and cluster binds strongly on B-doped graphene surface. • Decoration of transition metal on B-doped graphene significantly promotes Hg{sup 0} adsorption. • Adsorption strength of Hg{sup 0} atom on metal decorated B-doped graphene: Pd > Pt > Ru > W > Cu. • One site decorated Pd4 cluster adsorbed Hg{sup 0} strongly up to six atoms.

  11. Platinum nanoparticles on gallium nitride surfaces: effect of semiconductor doping on nanoparticle reactivity.

    Science.gov (United States)

    Schäfer, Susanne; Wyrzgol, Sonja A; Caterino, Roberta; Jentys, Andreas; Schoell, Sebastian J; Hävecker, Michael; Knop-Gericke, Axel; Lercher, Johannes A; Sharp, Ian D; Stutzmann, Martin

    2012-08-01

    Platinum nanoparticles supported on n- and p-type gallium nitride (GaN) are investigated as novel hybrid systems for the electronic control of catalytic activity via electronic interactions with the semiconductor support. In situ oxidation and reduction were studied with high pressure photoemission spectroscopy. The experiments revealed that the underlying wide-band-gap semiconductor has a large influence on the chemical composition and oxygen affinity of supported nanoparticles under X-ray irradiation. For as-deposited Pt cuboctahedra supported on n-type GaN, a higher fraction of oxidized surface atoms was observed compared to cuboctahedral particles supported on p-type GaN. Under an oxygen atmosphere, immediate oxidation was recorded for nanoparticles on n-type GaN, whereas little oxidation was observed for nanoparticles on p-type GaN. Together, these results indicate that changes in the Pt chemical state under X-ray irradiation depend on the type of GaN doping. The strong interaction between the nanoparticles and the support is consistent with charge transfer of X-ray photogenerated free carriers at the semiconductor-nanoparticle interface and suggests that GaN is a promising wide-band-gap support material for photocatalysis and electronic control of catalysis.

  12. Luminescence and surface properties of Tb3+ doped Sr3(VO4)2 nanophosphors

    International Nuclear Information System (INIS)

    Bedyal, A.K.; Kumar, Vinay; Sharma, Vishal

    2013-01-01

    In this paper, we present a detailed investigation of the luminescence and surface properties of Tb 3+ doped Sr 3 (VO 4 ) 2 nanocrystalline phosphors, synthesized by the combustion method. X-ray diffraction (XRD) peaks in the patterns corresponding to the reflection of rhombohedral pure phase of Sr 3 (VO 4 ) 2 . The average particle sizes have been found in the range of 30-34 nm. Scanning electron microscopy (SEM) indicated that an agglomerated peanut like morphology was obtained. Photoluminescence (PL) spectroscopy has been utilized to investigate the spectral properties of the phosphor. Under 237 nm excitation, it shows several bands centered at 487, 544, 588 and 624 nm, which result from 5 D 4 → 7 F J (J = 6, 5, 4 and 3) transitions of Tb 3+ , and the green emission band ( 5 D 4 → 7 F 5 ) located at 544 nm is dominant. The chemical states and homogeneous dopants' distribution in the host were analyzed with X-ray photoelectron spectroscopy (XPS) and time of flight-secondary ion mass spectroscopy (TOF-SIMS), respectively. A ToF-SIMS imaging shows an uniform distribution of Tb 3+ in the Sr 3 (VO 4 ) 2 . (author)

  13. Low-temperature micro-photoluminescence spectroscopy on laser-doped silicon with different surface conditions

    Science.gov (United States)

    Han, Young-Joon; Franklin, Evan; Fell, Andreas; Ernst, Marco; Nguyen, Hieu T.; Macdonald, Daniel

    2016-04-01

    Low-temperature micro-photoluminescence spectroscopy (μ-PLS) is applied to investigate shallow layers of laser-processed silicon for solar cell applications. Micron-scale measurement (with spatial resolution down to 1 μm) enables investigation of the fundamental impact of laser processing on the electronic properties of silicon as a function of position within the laser-processed region, and in particular at specific positions such as at the boundary/edge of processed and unprocessed regions. Low-temperature μ-PLS enables qualitative analysis of laser-processed regions by identifying PLS signals corresponding to both laser-induced doping and laser-induced damage. We show that the position of particular luminescence peaks can be attributed to band-gap narrowing corresponding to different levels of subsurface laser doping, which is achieved via multiple 248 nm nanosecond excimer laser pulses with fluences in the range 1.5-4 J/cm2 and using commercially available boron-rich spin-on-dopant precursor films. We demonstrate that characteristic defect PL spectra can be observed subsequent to laser doping, providing evidence of laser-induced crystal damage. The impact of laser parameters such as fluence and number of repeat pulses on laser-induced damage is also analyzed by observing the relative level of defect PL spectra and absolute luminescence intensity. Luminescence owing to laser-induced damage is observed to be considerably larger at the boundaries of laser-doped regions than at the centers, highlighting the significant role of the edges of laser-doped region on laser doping quality. Furthermore, by comparing the damage signal observed after laser processing of two different substrate surface conditions (chemically-mechanically polished and tetramethylammonium hydroxide etched), we show that wafer preparation can be an important factor impacting the quality of laser-processed silicon and solar cells.

  14. Two energy scales and two quasiparticle dynamics in the superconducting state of under-doped cuprates

    Energy Technology Data Exchange (ETDEWEB)

    Le Tacon, M.; Sacuto, A. [Paris-7 Univ., Lab. Mat riaux et Ph nom nes Quantiques (UMR 7162 CNRS), 75 (France); Laboratoire de Physique du Solide, ESPCI, 75 - Paris (France); Georges, A. [Centre de Physique Theorique, Ecole Polytechnique, 91 - Palaiseau (France); Kotliar, G. [Centre de Physique Theorique, Ecole Polytechnique, 91 - Palaiseau (France); Rutgers Univ., Serin Physics Lab. (United States); Gallais, Y. [Columbia Univ. New York, Dept. of Physics and Applied Physics, NY (United States); Colson, D.; Forget, A. [CEA Saclay, Service de Physique de l' Etat Condense, 91 - Gif-sur-Yvette (France)

    2006-07-01

    The superconducting state of under-doped cuprates is often described in terms of a single energy scale, associated with the maximum of the (d-wave) gap. Here, we report on electronic Raman scattering results, which show that the gap function in the under-doped regime is characterized by two energy scales, depending on doping in opposite manners. Their ratios to the maximum critical temperature are found to be universal in cuprates. Our experimental results also reveal two different quasiparticle dynamics in the under-doped superconducting state, associated with two regions of momentum space: nodal regions near the zeros of the gap and anti-nodal regions. While anti-nodal quasiparticles quickly loose coherence as doping is reduced, coherent nodal quasiparticles persist down to low doping levels. A theoretical analysis using a new sum-rule allows us to relate the low-frequency-dependence of the Raman response to the temperature-dependence of the superfluid density, both controlled by nodal excitations. (authors)

  15. Topological surface states in nodal superconductors.

    Science.gov (United States)

    Schnyder, Andreas P; Brydon, Philip M R

    2015-06-24

    Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states.

  16. Electroplating of erbium on steel surface in ErCl3 doped LiCl-KCl

    International Nuclear Information System (INIS)

    Kondo, Masatoshi; Tanaka, Teruya; Muroga, Takeo; Tsujimura, Hiroyuki; Ito, Yasuhiko

    2012-01-01

    The electroplating of Er metal on the reduced activation ferritic martensitic steel, JLF-1 (Fe-9Cr-2W-0.1C), in a molten salt was studied. The specimen was immersed in the molten ErCl 3 doped LiCl-KCl electrolyte. The electroplating was carried out by a constant potential electrolysis method and a pulsed current electrolysis method. It was found that the Er metal was deposited on the specimen surface due to the electrochemical reaction. (author)

  17. Surface structuring of boron doped CVD diamond by micro electrical discharge machining

    Science.gov (United States)

    Schubert, A.; Berger, T.; Martin, A.; Hackert-Oschätzchen, M.; Treffkorn, N.; Kühn, R.

    2018-05-01

    Boron doped diamond materials, which are generated by Chemical Vapor Deposition (CVD), offer a great potential for the application on highly stressed tools, e. g. in cutting or forming processes. As a result of the CVD process rough surfaces arise, which require a finishing treatment in particular for the application in forming tools. Cutting techniques such as milling and grinding are hardly applicable for the finish machining because of the high strength of diamond. Due to its process principle of ablating material by melting and evaporating, Electrical Discharge Machining (EDM) is independent of hardness, brittleness or toughness of the workpiece material. EDM is a suitable technology for machining and structuring CVD diamond, since boron doped CVD diamond is electrically conductive. In this study the ablation characteristics of boron doped CVD diamond by micro electrical discharge machining are investigated. Experiments were carried out to investigate the influence of different process parameters on the machining result. The impact of tool-polarity, voltage and discharge energy on the resulting erosion geometry and the tool wear was analyzed. A variation in path overlapping during the erosion of planar areas leads to different microstructures. The results show that micro EDM is a suitable technology for finishing of boron doped CVD diamond.

  18. Surface-bound states in nanodiamonds

    Science.gov (United States)

    Han, Peng; Antonov, Denis; Wrachtrup, Jörg; Bester, Gabriel

    2017-05-01

    We show via ab initio calculations and an electrostatic model that the notoriously low, but positive, electron affinity of bulk diamond becomes negative for hydrogen passivated nanodiamonds and argue that this peculiar situation (type-II offset with a vacuum level at nearly midgap) and the three further conditions: (i) a surface dipole with positive charge on the outside layer, (ii) a spherical symmetry, and (iii) a dielectric mismatch at the surface, results in the emergence of a peculiar type of surface state localized just outside the nanodiamond. These states are referred to as "surface-bound states" and have consequently a strong environmental sensitivity. These type of states should exist in any nanostructure with negative electron affinity. We further quantify the band offsets of different type of nanostructures as well as the exciton binding energy and contrast the results with results for "conventional" silicon quantum dots.

  19. Gravitational states of antihydrogen near material surface

    Energy Technology Data Exchange (ETDEWEB)

    Voronin, Alexei Yu., E-mail: dr.a.voronin@gmail.com [P.N. Lebedev Physical Institute (Russian Federation); Froelich, Piotr [Uppsala University, Department of Quantum Chemistry (Sweden); Nesvizhevsky, Valery V. [Institut Laue-Langevin (ILL) (France)

    2012-12-15

    We present a theoretical study of the motion of antihydrogen atoms in the Earth's gravitational field near a material surface. We predict the existence of long-living quasistationary states of antihydrogen in a superposition of the gravitational and Casimir-van der Waals potentials of the surface. We suggest an interferometric method of measuring the energy difference between such gravitational states, hence the gravitational mass of antihydrogen.

  20. Photoinduced Charge Transfer from Titania to Surface Doping Site.

    Science.gov (United States)

    Inerbaev, Talgat; Hoefelmeyer, James D; Kilin, Dmitri S

    2013-05-16

    We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO 2 . Charge transfer from the photo-excited TiO 2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO 2 nanorod and catalytic site. A slab of TiO 2 represents a fragment of TiO 2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO 2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO 2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting.

  1. Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn²⁺-doped ZnO quantum dots.

    Science.gov (United States)

    Fischer, Sean A; Lingerfelt, David B; May, Joseph W; Li, Xiaosong

    2014-09-07

    The unique electronic structure of Mn(2+)-doped ZnO quantum dots gives rise to photoionization states that can be used to manipulate the magnetic state of the material and to generate zero-reabsorption luminescence. Fast formation and long non-radiative decay of this photoionization state is a necessary requirement for these important applications. In this work, surface hopping based non-adiabatic molecular dynamics are used to demonstrate the fast formation of a metal-to-ligand charge transfer state in a Mn(2+)-doped ZnO quantum dot. The formation occurs on an ultrafast timescale and is aided by the large density of states and significant mixing of the dopant Mn(2+) 3dt2 levels with the valence-band levels of the ZnO lattice. The non-radiative lifetime of the photoionization states is also investigated.

  2. Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films

    KAUST Repository

    Benali Kanoun, Mohammed; Goumri-Said, Souraya; Manchon, Aurelien; Schwingenschlö gl, Udo

    2012-01-01

    We present first-principles results for Sc-doped ZnOthin films. Neighboring Sc atoms in the surface and/or subsurface layers are found to be coupled ferromagnetically, where only two of the possible configurations induce spin polarization

  3. Structural characterization of pure and doped calcium phosphate bioceramics prepared by simple solid state method

    International Nuclear Information System (INIS)

    Ahmed, S.; Kabir, H.; Nigar, F.

    2011-01-01

    Calcium Phosphate based bioceramic materials, in pure and doped forms have been successfully synthesized from egg shells by using solid-state method for the first time. Considering the diverse role of zinc and fluoride in biological functions, these two ions were chosen to develop the substituted bioceramic materials. Structural characterizations of these developed bioceramics were performed by using FTIR, XRD, SEM and EDS techniques. The results revealed that the fluoride doped apatite was formed in single phase containing hydroxyapatite while pure and Zinc doped apatites contained -TCP with hydroxyapatite. Experimental results and the crystallographic parameters matched well with the literature values indicating that the present experimental protocol favoured the formation of the desired bioceramics. However, to synthesize the (Ca (PO)) based bioceramic materials, such a simple solid-state approach would obviously be very helpful, not only in making the process economically feasible, but also in creating an effective material recycling technology for waste-management. (author)

  4. Electrochemical Biosensor Based on Boron-Doped Diamond Electrodes with Modified Surfaces

    Directory of Open Access Journals (Sweden)

    Yuan Yu

    2012-01-01

    Full Text Available Boron-doped diamond (BDD thin films, as one kind of electrode materials, are superior to conventional carbon-based materials including carbon paste, porous carbon, glassy carbon (GC, carbon nanotubes in terms of high stability, wide potential window, low background current, and good biocompatibility. Electrochemical biosensor based on BDD electrodes have attracted extensive interests due to the superior properties of BDD electrodes and the merits of biosensors, such as specificity, sensitivity, and fast response. Electrochemical reactions perform at the interface between electrolyte solutions and the electrodes surfaces, so the surface structures and properties of the BDD electrodes are important for electrochemical detection. In this paper, the recent advances of BDD electrodes with different surfaces including nanostructured surface and chemically modified surface, for the construction of various electrochemical biosensors, were described.

  5. Chemical Surface, Thermal and Electrical Characterization of Nafion Membranes Doped with IL-Cations

    Directory of Open Access Journals (Sweden)

    María del Valle Martínez de Yuso

    2014-04-01

    Full Text Available Surface and bulk changes in a Nafion membrane as a result of IL-cation doping (1-butyl-3-methylimidazolium tetrafluoroborate or BMIM+BF4 and phenyltrimethylammonium chloride or TMPA+Cl− were studied by X-ray photoelectron spectroscopy (XPS, contact angle, differential scanning calorimetry (DSC and impedance spectroscopy (IS measurements performed with dry samples after 24 h in contact with the IL-cations BMIM+ and TMPA+. IL-cations were selected due to their similar molecular weight and molar volume but different shape, which could facilitate/obstruct the cation incorporation in the Nafion membrane structure by proton/cation exchange mechanism. The surface coverage of the Nafion membrane by the IL-cations was confirmed by XPS analysis and contact angle, while the results obtained by the other two techniques (DSC and IS seem to indicate differences in thermal and electrical behaviour depending on the doping-cation, being less resistive the Nafion/BMIM+ membrane. For that reason, determination of the ion transport number was obtained for this membrane by measuring the membrane or concentration potential with the samples in contact with HCl solutions at different concentrations. The comparison of these results with those obtained for the original Nafion membrane provides information on the effect of IL-cation BMIM+ on the transport of H+ across wet Nafion/BMIM+ doped membranes.

  6. Doped and codoped silicon nanocrystals: The role of surfaces and interfaces

    Science.gov (United States)

    Marri, Ivan; Degoli, Elena; Ossicini, Stefano

    2017-12-01

    Si nanocrystals have been extensively studied because of their novel properties and their potential applications in electronic, optoelectronic, photovoltaic, thermoelectric and biological devices. These new properties are achieved through the combination of the quantum confinement of carriers and the strong influence of surface chemistry. As in the case of bulk Si the tuning of the electronic, optical and transport properties is related to the possibility of doping, in a controlled way, the nanocrystals. This is a big challenge since several studies have revealed that doping in Si nanocrystals differs from the one of the bulk. Theory and experiments have underlined that doping and codoping are influenced by a large number of parameters such as size, shape, passivation and chemical environment of the silicon nanocrystals. However, the connection between these parameters and dopant localization as well as the occurrence of self-purification effects are still not clear. In this review we summarize the latest progress in this fascinating research field considering free-standing and matrix-embedded Si nanocrystals both from the theoretical and experimental point of view, with special attention given to the results obtained by ab-initio calculations and to size-, surface- and interface-induced effects.

  7. Increasing the doping efficiency by surface energy control for ultra-transparent graphene conductors.

    Science.gov (United States)

    Chang, Kai-Wen; Hsieh, Ya-Ping; Ting, Chu-Chi; Su, Yen-Hsun; Hofmann, Mario

    2017-08-22

    Graphene's attractiveness in many applications is limited by its high resistance. Extrinsic doping has shown promise to overcome this challenge but graphene's performance remains below industry requirements. This issue is caused by a limited charge transfer efficiency (CTE) between dopant and graphene. Using AuCl 3 as a model system, we measure CTE as low as 5% of the expected values due to the geometrical capacitance of small adsorbate clusters. We here demonstrate a strategy for enhancing the CTE by a two-step optimization of graphene's surface energy prior to AuCl 3 doping. First, exposure to UV ozone modified the hydrophilicity of graphene and was found to decrease the cluster's geometric capacitance, which had a direct effect on the CTE. Occurrence of lattice defects at high UV exposure, however, deteriorated graphene's transport characteristics and limited the effectiveness of this pretreatment step. Thus, prior to UV exposure, a functionalized polymer layer was introduced that could further enhance graphene's surface energy while protecting it from damage. Combination of these treatment steps were found to increase the AuCl 3 charge transfer efficiency to 70% and lower the sheet resistance to 106 Ω/γ at 97% transmittance which represents the highest reported performance for doped single layer graphene and is on par with commercially available transparent conductors.

  8. Photon density of states for deformed surfaces

    International Nuclear Information System (INIS)

    Emig, T

    2006-01-01

    A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced

  9. Energy gap of extended states in SiC-doped graphene nanoribbon: Ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaoshi; Wu, Yong [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Shanghai Key Lab of Modern Optical System, Shanghai 200093 (China); Li, Zhongyao, E-mail: lizyusst@gmail.com [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Shanghai Key Lab of Modern Optical System, Shanghai 200093 (China); Gao, Yong [School of Science, Shanghai Second Polytechnic University, Shanghai 201209 (China)

    2017-04-01

    Highlights: • The gap of isolated ribbon is inversely proportional to the width of ribbon. • The gap of doped ribbon cannot be modeled by effective width approximation. • The fitted energy gap can match the experimental observations. • The doping results in a spin-polarized metallic-like band structure. - Abstract: The energy gap of extended states in zigzag graphene nanoribbons (ZGNRs) was examined on the basis of density-functional theory. In isolated ZGNRs, the energy gap is inversely proportional to the width of ribbon. It agrees well with the results from the Dirac equation in spin-unpolarized ZGNRs, although the considered ZGNRs have spin-polarized edges. However, the energy gap in SiC-doped ZGNRs cannot be modeled by effective width approximation. The doping also lifts the spin-degenerate of edge states and results in a metallic-like band structure near the Fermi level in SiC-doped ZGNRs. Our calculations may be helpful for understanding the origin of the reported single-channel ballistic transport in epitaxial graphene nanoribbons.

  10. Electronic and surface properties of Ga-doped In{sub 2}O{sub 3} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Regoutz, A., E-mail: a.regoutz@imperial.ac.uk [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Egdell, R.G. [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Morgan, D.J. [Cardiff Catalysis Institute (CCI), School of Chemistry, Cardiff University, Park Place, Cardiff, CF10 3AT (United Kingdom); Palgrave, R.G. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Téllez, H.; Skinner, S.J.; Payne, D.J. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Watson, G.W. [School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland); Scanlon, D.O. [University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom)

    2015-09-15

    Graphical abstract: - Highlights: • The solubility limit of Ga in In{sub 2}O{sub 3} was established to be around 6%. • Ga doping causes a reduction in band gap although the band gap of Ga{sub 2}O{sub 3} is larger than that of In{sub 2}O{sub 3}. • The reduction in band gap is attributed to the role of lone pairs at surfaces and grain boundaries. • A pronounced surface segregation of Ga is observed. - Abstract: The limit of solubility of Ga{sub 2}O{sub 3} in the cubic bixbyite In{sub 2}O{sub 3} phase was established by X-ray diffraction and Raman spectroscopy to correspond to replacement of around 6% of In cations by Ga for samples prepared at 1250 °C. Density functional theory calculations suggest that Ga substitution should lead to widening of the bulk bandgap, as expected from the much larger gap of Ga{sub 2}O{sub 3} as compared to In{sub 2}O{sub 3}. However both diffuse reflectance spectroscopy and valence band X-ray photoemission reveal an apparent narrowing of the gap with Ga doping. It is tentatively concluded that this anomaly arises from introduction of Ga{sup +} surface lone pair states at the top of the valence band and structure at the top of the valence band in Ga-segregated samples is assigned to these lone pair states. In addition photoemission reveals a broadening of the valence band edge. Core X-ray photoemission spectra and low energy ion scattering spectroscopy both reveal pronounced segregation of Ga to the ceramic surface, which may be linked to both relief of strain in the bulk and the preferential occupation of surface sites by lone pair cations. Surprisingly Ga segregation is not accompanied by the development of chemically shifted structure in Ga 2p core XPS associated with Ga{sup +}. However experiments on ion bombarded Ga{sub 2}O{sub 3}, where a shoulder at the top edge of the valence band spectra provide a clear signature of Ga{sup +} at the surface, show that the chemical shift between Ga{sup +} and Ga{sup 3+} is too small to be

  11. Optical absorption and oxygen passivation of surface states in III-nitride photonic devices

    Science.gov (United States)

    Rousseau, Ian; Callsen, Gordon; Jacopin, Gwénolé; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas

    2018-03-01

    III-nitride surface states are expected to impact high surface-to-volume ratio devices, such as nano- and micro-wire light-emitting diodes, transistors, and photonic integrated circuits. In this work, reversible photoinduced oxygen desorption from III-nitride microdisk resonator surfaces is shown to increase optical attenuation of whispering gallery modes by 100 cm-1 at λ = 450 nm. Comparison of photoinduced oxygen desorption in unintentionally and n+-doped microdisks suggests that the spectral changes originate from the unpinning of the surface Fermi level, likely taking place at etched nonpolar III-nitride sidewalls. An oxygen-rich surface prepared by thermal annealing results in a broadband Q improvement to state-of-the-art values exceeding 1 × 104 at 2.6 eV. Such findings emphasize the importance of optically active surface states and their passivation for future nanoscale III-nitride optoelectronic and photonic devices.

  12. Structural and electronic properties of Mg and Mg-Nb co-doped TiO2 (101) anatase surface

    International Nuclear Information System (INIS)

    Sasani, Alireza; Baktash, Ardeshir; Mirabbaszadeh, Kavoos; Khoshnevisan, Bahram

    2016-01-01

    Highlights: • Formation energy of Mg and Mg-Nb co-doped TiO_2 anatase surface (101) is studied. • Effect of Mg defect to the TiO_2 anatase (101) surface and bond length distribution of the surface is studied and it is shown that Mg defects tend to stay far from each other. • Effect of Mg and Nb to the bond length distribution of the surface studied and it is shown that these defects tend to stay close to each other. • Effects of Mg and Mg-Nb defects on DSSCs using TiO_2 anatase hosting these defects are studied. - Abstract: In this paper, by using density functional theory, Mg and Nb-Mg co-doping of TiO_2 anatase (101) surfaces are studied. By studying the formation energy of the defects and the bond length distribution of the surface, it is shown that Mg defects tend to stay as far as possible to induce least possible lattice distortion while Nb and Mg defects stay close to each other to cause less stress to the surface. By investigating band structure of the surface and changes stemmed from the defects, potential effects of Mg and Mg-Nb co-doping of TiO_2 surface on dye-sensitized solar cells are investigated. In this study, it is shown that the Nb-Mg co-doping could increase J_S_C of the surface while slightly decreasing V_O_C compared to Mg doped surface, which might result in an increase in efficiency of the DSSCs compared to Nb or Mg doped surfaces.

  13. Structural and electronic properties of Mg and Mg-Nb co-doped TiO2 (101) anatase surface

    Energy Technology Data Exchange (ETDEWEB)

    Sasani, Alireza [Department of Science, Karaj Islamic Azad University, Karaj, Alborz, P.O. Box 31485-313 (Iran, Islamic Republic of); Baktash, Ardeshir [Institute of Nano Science and Nano Technology, University of Kashan, Kashan, P.O. Box 87317-51167 (Iran, Islamic Republic of); Mirabbaszadeh, Kavoos, E-mail: mirabbas@aut.ac.ir [Department of Energy Engineering and Physics, Amirkabir University of Technology, Tehran, P. O. Box 15875-4413 (Iran, Islamic Republic of); Khoshnevisan, Bahram [Institute of Nano Science and Nano Technology, University of Kashan, Kashan, P.O. Box 87317-51167 (Iran, Islamic Republic of)

    2016-10-30

    Highlights: • Formation energy of Mg and Mg-Nb co-doped TiO{sub 2} anatase surface (101) is studied. • Effect of Mg defect to the TiO{sub 2} anatase (101) surface and bond length distribution of the surface is studied and it is shown that Mg defects tend to stay far from each other. • Effect of Mg and Nb to the bond length distribution of the surface studied and it is shown that these defects tend to stay close to each other. • Effects of Mg and Mg-Nb defects on DSSCs using TiO{sub 2} anatase hosting these defects are studied. - Abstract: In this paper, by using density functional theory, Mg and Nb-Mg co-doping of TiO{sub 2} anatase (101) surfaces are studied. By studying the formation energy of the defects and the bond length distribution of the surface, it is shown that Mg defects tend to stay as far as possible to induce least possible lattice distortion while Nb and Mg defects stay close to each other to cause less stress to the surface. By investigating band structure of the surface and changes stemmed from the defects, potential effects of Mg and Mg-Nb co-doping of TiO{sub 2} surface on dye-sensitized solar cells are investigated. In this study, it is shown that the Nb-Mg co-doping could increase J{sub SC} of the surface while slightly decreasing V{sub OC} compared to Mg doped surface, which might result in an increase in efficiency of the DSSCs compared to Nb or Mg doped surfaces.

  14. Ultrafast excited state deactivation of doped porous anodic alumina membranes

    International Nuclear Information System (INIS)

    Makhal, Abhinandan; Sarkar, Soumik; Pal, Samir Kumar; Yan, Hongdan; Wulferding, Dirk; Cetin, Fatih; Lemmens, Peter

    2012-01-01

    Free-standing, bi-directionally permeable and ultra-thin anodic aluminum oxide (AAO) membranes establish attractive templates (host) for the synthesis of nano-dots and rods of various materials (guest). This is due to their chemical and structural integrity and high periodicity on length scales of 5–150 nm which are often used to host photoactive nano-materials for various device applications including dye-sensitized solar cells. In the present study, AAO membranes are synthesized by using electrochemical methods and a detailed structural characterization using FEG-SEM, XRD and TGA confirms the porosity and purity of the material. Defect-mediated photoluminescence quenching of the porous AAO membrane in the presence of an electron accepting guest organic molecule (benzoquinone) is studied by means of steady-state and picosecond/femtosecond-resolved luminescence measurements. Using time-resolved luminescence transients, we have also revealed light harvesting of complexes of porous alumina impregnated with inorganic quantum dots (Maple Red) or gold nanowires. Both the Förster resonance energy transfer and the nano-surface energy transfer techniques are employed to examine the observed quenching behavior as a function of the characteristic donor–acceptor distances. The experimental results will find their relevance in light harvesting devices based on AAOs combined with other materials involving a decisive energy/charge transfer dynamics. (paper)

  15. Ultrafast excited state deactivation of doped porous anodic alumina membranes

    Science.gov (United States)

    Makhal, Abhinandan; Sarkar, Soumik; Pal, Samir Kumar; Yan, Hongdan; Wulferding, Dirk; Cetin, Fatih; Lemmens, Peter

    2012-08-01

    Free-standing, bi-directionally permeable and ultra-thin anodic aluminum oxide (AAO) membranes establish attractive templates (host) for the synthesis of nano-dots and rods of various materials (guest). This is due to their chemical and structural integrity and high periodicity on length scales of 5-150 nm which are often used to host photoactive nano-materials for various device applications including dye-sensitized solar cells. In the present study, AAO membranes are synthesized by using electrochemical methods and a detailed structural characterization using FEG-SEM, XRD and TGA confirms the porosity and purity of the material. Defect-mediated photoluminescence quenching of the porous AAO membrane in the presence of an electron accepting guest organic molecule (benzoquinone) is studied by means of steady-state and picosecond/femtosecond-resolved luminescence measurements. Using time-resolved luminescence transients, we have also revealed light harvesting of complexes of porous alumina impregnated with inorganic quantum dots (Maple Red) or gold nanowires. Both the Förster resonance energy transfer and the nano-surface energy transfer techniques are employed to examine the observed quenching behavior as a function of the characteristic donor-acceptor distances. The experimental results will find their relevance in light harvesting devices based on AAOs combined with other materials involving a decisive energy/charge transfer dynamics.

  16. Ultrafast excited state deactivation of doped porous anodic alumina membranes

    Energy Technology Data Exchange (ETDEWEB)

    Makhal, Abhinandan; Sarkar, Soumik; Pal, Samir Kumar [Department of Chemical, Biological and Macromolecular Sciences, S N Bose National Centre for Basic Sciences, Block JD, Sector III, Salt Lake, Kolkata 700 098 (India); Yan, Hongdan; Wulferding, Dirk; Cetin, Fatih; Lemmens, Peter [Institute for Condensed Matter Physics, TU Braunschweig, Mendelssohnstrasse 3, 38106 Braunschweig (Germany)

    2012-08-03

    Free-standing, bi-directionally permeable and ultra-thin anodic aluminum oxide (AAO) membranes establish attractive templates (host) for the synthesis of nano-dots and rods of various materials (guest). This is due to their chemical and structural integrity and high periodicity on length scales of 5-150 nm which are often used to host photoactive nano-materials for various device applications including dye-sensitized solar cells. In the present study, AAO membranes are synthesized by using electrochemical methods and a detailed structural characterization using FEG-SEM, XRD and TGA confirms the porosity and purity of the material. Defect-mediated photoluminescence quenching of the porous AAO membrane in the presence of an electron accepting guest organic molecule (benzoquinone) is studied by means of steady-state and picosecond/femtosecond-resolved luminescence measurements. Using time-resolved luminescence transients, we have also revealed light harvesting of complexes of porous alumina impregnated with inorganic quantum dots (Maple Red) or gold nanowires. Both the Foerster resonance energy transfer and the nano-surface energy transfer techniques are employed to examine the observed quenching behavior as a function of the characteristic donor-acceptor distances. The experimental results will find their relevance in light harvesting devices based on AAOs combined with other materials involving a decisive energy/charge transfer dynamics. (paper)

  17. Superconducting and normal state properties of carbon doped and neutron irradiated MgB2

    International Nuclear Information System (INIS)

    Wilke, R.H.T.; Samuely, P.; Szabo, P.; Holanova, Z.; Bud'ko, S.L.; Canfield, P.C.; Finnemore, D.K.

    2007-01-01

    Current research in MgB 2 focuses on the effects various types of perturbations have on the superconducting properties of this novel two-gap superconductor. In this article we summarize the effects of carbon doping and neutron irradiation in bulk MgB 2 . Low levels of carbon doping and light neutron irradiation result in significant enhancements in H c2 . At high fluences, where superconductivity is nearly fully suppressed, superconductivity can be restored through post exposure annealing. However, this results in a change in the interdependencies of the normal state and superconducting properties (ρ 0 , T c , H c2 ), with little or no enhancement in H c2

  18. A synthesis method for cobalt doped carbon aerogels with high surface area and their hydrogen storage properties

    Energy Technology Data Exchange (ETDEWEB)

    Tian, H.Y.; Buckley, C.E. [Department of Imaging and Applied Physics, Curtin University of Technology, GPO Box U 1987, Perth 6845, WA (Australia); CSIRO National Hydrogen Materials Alliance, CSIRO Energy Centre, 10 Murray Dwyer Circuit, Steel River Estate, Mayfield West, NSW 2304 (Australia); Sheppard, D.A.; Paskevicius, M. [Department of Imaging and Applied Physics, Curtin University of Technology, GPO Box U 1987, Perth 6845, WA (Australia); Hanna, N. [CSIRO Process Science and Engineering, Waterford, WA (Australia)

    2010-12-15

    Carbon aerogels doped with nanoscaled Co particles were prepared by first coating activated carbon aerogels using a wet-thin layer coating process. The resulting metal-doped carbon aerogels had a higher surface area ({proportional_to}1667 m{sup 2} g{sup -1}) and larger micropore volume ({proportional_to}0.6 cm{sup 3} g{sup -1}) than metal-doped carbon aerogels synthesised using other methods suggesting their usefulness in catalytic applications. The hydrogen adsorption behaviour of cobalt doped carbon aerogel was evaluated, displaying a high {proportional_to}4.38 wt.% H{sub 2} uptake under 4.6 MPa at -196 C. The hydrogen uptake capacity with respect to unit surface area was greater than for pure carbon aerogel and resulted in {proportional_to}1.3 H{sub 2} (wt. %) per 500 m{sup 2} g{sup -1}. However, the total hydrogen uptake was slightly reduced as compared to pure carbon aerogel due to a small reduction in surface area associated with cobalt doping. The improved adsorption per unit surface area suggests that there is a stronger interaction between the hydrogen molecules and the cobalt doped carbon aerogel than for pure carbon aerogel. (author)

  19. Superionic Conductivity of Sm3+, Pr3+, and Nd3+ Triple-Doped Ceria through Bulk and Surface Two-Step Doping Approach.

    Science.gov (United States)

    Liu, Yanyan; Fan, Liangdong; Cai, Yixiao; Zhang, Wei; Wang, Baoyuan; Zhu, Bin

    2017-07-19

    Sufficiently high oxygen ion conductivity of electrolyte is critical for good performance of low-temperature solid oxide fuel cells (LT-SOFCs). Notably, material conductivity, reliability, and manufacturing cost are the major barriers hindering LT-SOFC commercialization. Generally, surface properties control the physical and chemical functionalities of materials. Hereby, we report a Sm 3+ , Pr 3+ , and Nd 3+ triple-doped ceria, exhibiting the highest ionic conductivity among reported doped-ceria oxides, 0.125 S cm -1 at 600 °C. It was designed using a two-step wet-chemical coprecipitation method to realize a desired doping for Sm 3+ at the bulk and Pr 3+ /Nd 3+ at surface domains (abbreviated as PNSDC). The redox couple Pr 3+ /Pr 4+ contributes to the extraordinary ionic conductivity. Moreover, the mechanism for ionic conductivity enhancement is demonstrated. The above findings reveal that a joint bulk and surface doping methodology for ceria is a feasible approach to develop new oxide-ion conductors with high impacts on advanced LT-SOFCs.

  20. Topological surface states in nodal superconductors

    International Nuclear Information System (INIS)

    Schnyder, Andreas P; Brydon, Philip M R

    2015-01-01

    Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states. (topical review)

  1. Redox behavior of a low-doped Pr-CeO_2(111) surface. A DFT+U study

    International Nuclear Information System (INIS)

    Milberg, Brian; Juan, Alfredo; Irigoyen, Beatriz

    2017-01-01

    Highlights: • Pr doping facilitates oxygen donation due to the easy formation of Pr"3"+/Pr"4"+ and Ce"3"+/Ce"4"+ redox couples. • Pr doping also favors the formation of superoxide (O_2"−) radicals on surface O-holes. • CO can be oxidized by superoxide radical forming a CO_2 molecule floating on the surface. • CO can also interact on the (O_2"−)/Pr"3"+ interphase and forms weakly adsorbed carbonate-type intermediates. - Abstract: In this work, we investigated the redox behavior (donation and replenishing of oxygen) of a low praseodymium (Pr)-doped CeO_2(111) surface. We considered a 3.7 at.% Pr doping and performed density functional calculations using the GGA formalism with the ‘U’ correction on Ce(4f) and Pr(4f) orbitals. Our results indicate that Pr doping promotes oxygen donation by lowering the energy necessary to form surface anionic vacancies. When the Ce_0_._9_6_3Pr_0_._0_3_7O_2(111) surface donates one oxygen, the two excess electrons locate on Pr and Ce cations and reduce them to Pr"3"+ and Ce"3"+ ones. Praseodymium doping also favors the activation of O_2 molecule on surface O-holes, leading to formation of a superoxide (O_2"−) radical as well as to reoxidation of the Ce"3"+ cation to Ce"4"+ one. Additionally, we used the CO molecular adsorption for testing the reactivity of those superoxide species. The calculations expose the ability of these radicals to oxidize CO forming a CO_2 molecule floating on the surface. However, when the superoxide is in the immediate vicinity of Pr dopant a carbonate-type species is formed. Our theoretical results may help to gain insight into redox properties and improved catalytic performance of low-doped Pr-CeO_2 solids.

  2. Recent advances in rare earth doped alkali-alkaline earth borates for solid state lighting applications

    Science.gov (United States)

    Verma, Shefali; Verma, Kartikey; Kumar, Deepak; Chaudhary, Babulal; Som, Sudipta; Sharma, Vishal; Kumar, Vijay; Swart, Hendrik C.

    2018-04-01

    As a novel class of inorganic phosphor, the alkali-alkaline earth borate phosphors have gained huge attention due to their charming applications in solid-state lighting (SSL) and display devices. The current research drive shows that phosphors based on the alkali-alkaline earth borates have transformed the science and technology due to their high transparency over a broad spectral range, their flexibility in structure and durability for mechanical and high-laser applications. Recent advances in various aspects of rare-earth (RE) doped borate based phosphors and their utilizations in SSL and light emitting diodes are summarized in this review article. Moreover, the present status and upcoming scenario of RE-doped borate phosphors were reviewed in general along with the proper credential from the existing literature. It is believed that this review is a sole compilation of crucial information about the RE-doped borate phosphors in a single platform.

  3. Surface states in crystals with low-index surfaces

    International Nuclear Information System (INIS)

    Wang Hui-Ping; Tao Rui-Bao

    2015-01-01

    For most of the conventional crystals with low-index surfaces, the hopping between the nearest neighbor (1NN) crystal planes (CPs) is dominant and the ones from the nNN (2 ≤ n < ∞) CPs are relatively weak, considered as small perturbations. The recent theoretical analysis [1] has demonstrated the absence of surface states at the level of the hopping approximation between the 1NN CPs when the original infinite crystal has the geometric reflection symmetry (GRS) for each CP. Meanwhile, based on the perturbation theory, it has also been shown that small perturbations from the hopping between the nNN (2 ≤ n < ∞) CPs and surface relaxation have no impact on the above conclusion. However, for the crystals with strong intrinsic spin-orbit coupling (SOC), the dominant terms of intrinsic SOC associate with two 1NN bond hoppings. Thus SOC will significantly contribute the hoppings from the 1NN and/or 2NN CPs except the ones within each CP. Here, we will study the effect of the hopping between the 2NN CPs on the surface states in model crystals with three different type structures (Type I: “···–P–P–P–P–···”, Type II: “···–P–Q–P–Q–···” and Type III: “···–P=Q–P=Q–···” where P and Q indicate CPs and the signs “−” and “=” mark the distance between the 1NN CPs). In terms of analytical and numerical calculations, we study the behavior of surface states in three types after the symmetric/asymmetric hopping from the 2NN CPs is added. We analytically prove that the symmetric hopping from the 2NN CPs cannot induce surface states in Type I when each CP has only one electron mode. The numerical calculations also provide strong support for the conclusion, even up to 5NN. However, in general, the coupling from the 2NN CPs (symmetric and asymmetric) is favorable to generate surface states except Type I with single electron mode only. (paper)

  4. Surface study of liquid 3He using surface state electrons

    International Nuclear Information System (INIS)

    Shirahama, K.; Ito, S.; Suto, H.; Kono, K.

    1995-01-01

    We have measured the mobility of surface state electrons (SSE) on liquid 3 He, μ 3 , aiming to study the elementary surface excitations of the Fermi liquid. A gradual increase of μ 3 below 300 mK is attributed to the scattering of electrons by ripplons. Ripplons do exist in 3 He down to 100 mK. We observe an abrupt decrease of μ 3 , due to the transition to the Wigner solid (WS). The dependences of the WS conductivity and mobility on temperature and magnetic field differ from the SSE behavior on liquid 4 He

  5. Laser-induced dendritic microstructures on the surface of Ag+-doped glass

    International Nuclear Information System (INIS)

    Nahal, A.; Mostafavi-Amjad, J.; Ghods, A.; Khajehpour, M. R. H.; Reihani, S. N. S.; Kolahchi, M. R.

    2006-01-01

    Fractal dendritic silver microstructures are observed on the surface of the Ag + -doped glasses as a result of a photothermal interaction with a focused multiline cw high-power (P max =8 W) Ag + laser beam. It is found that evolution of the structures depends on the exposure time and also on the concentration of the silver ions in the sample. The fractal dimension of the generated dendritic microstructures increases with the exposure time. Instability of the contact line of the molten silver flow toward the periphery of the interaction area is discussed as a result of the temperature gradient, due to the Gaussian intensity distribution across the laser beam

  6. Localized surface plasmon polariton resonance in holographically structured Al-doped ZnO

    Energy Technology Data Exchange (ETDEWEB)

    George, David; Lowell, David; Mao, Michelle; Hassan, Safaa; Philipose, Usha [Department of Physics and Center for Advanced Research and Technology, University of North Texas, Denton, Texas 76203 (United States); Li, Li; Jiang, Yan; Cui, Jingbiao [Department of Physics and Materials Science, University of Memphis, Memphis, Tennessee 38152 (United States); Ding, Jun; Zhang, Hualiang [Department of Electrical and Computer Engineering, University of Massachusetts Lowell, Lowell, Massachusetts 01854 (United States); Lin, Yuankun [Department of Physics and Center for Advanced Research and Technology, University of North Texas, Denton, Texas 76203 (United States); Department of Electrical Engineering, University of North Texas, Denton, Texas 76203 (United States)

    2016-07-28

    In this paper, we studied the localized surface plasmon polariton (SPP) resonance in hole arrays in transparent conducting aluminum-doped zinc oxide (AZO). CMOS-compatible fabrication process was demonstrated for the AZO devices. The localized SPP resonance was observed and confirmed by electromagnetic simulations. Using a standing wave model, the observed SPP was dominated by the standing-wave resonance along (1,1) direction in square lattices. This research lays the groundwork for a fabrication technique that can contribute to the core technology of future integrated photonics through its extension into tunable conductive materials.

  7. Thermal grafting of fluorinated molecular monolayers on doped amorphous silicon surfaces

    International Nuclear Information System (INIS)

    Sabbah, H.; Zebda, A.; Ababou-Girard, S.; Solal, F.; Godet, C.; Conde, J. P.; Chu, V.

    2009-01-01

    Thermally induced (160-300 deg. C) gas phase grafting of linear alkene molecules (perfluorodecene) was performed on hydrogenated amorphous silicon (a-Si:H) films, either nominally undoped or doped with different boron and phosphorus concentrations. Dense and smooth a-Si:H films were grown using plasma decomposition of silane. Quantitative analysis of in situ x-ray photoelectron spectroscopy indicates the grafting of a single layer of organic molecules. The hydrophobic properties of perfluorodecene-modified surfaces were studied as a function of surface coverage. Annealing experiments in ultrahigh vacuum show the covalent binding and the thermal stability of these immobilized layers up to 370 deg. C; this temperature corresponds to the Si-C bond cleavage temperature. In contrast with hydrogenated crystalline Si(111):H, no heavy wet chemistry surface preparation is required for thermal grafting of alkene molecules on a-Si:H films. A threshold grafting temperature is observed, with a strong dependence on the doping level which produces a large contrast in the molecular coverage for grafting performed at 230 deg. C

  8. Ga-doped ZnO thin film surface characterization by wavelet and fractal analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jing, Chenlei; Tang, Wu, E-mail: tang@uestc.edu.cn

    2016-02-28

    Graphical abstract: - Highlights: • Multi-resolution signal decomposition of wavelet transform is applied to Ga-doped ZnO thin films with various thicknesses. • Fractal properties of GZO thin films are investigated by box counting method. • Fractal dimension is not in conformity with original RMS roughness. • Fractal dimension mainly depends on the underside diameter (grain size) and distance between adjacent grains. - Abstract: The change in roughness of various thicknesses Ga-doped ZnO (GZO) thin films deposited by magnetron reactive sputtering on glass substrates at room temperature was measured by atomic force microscopy (AFM). Multi-resolution signal decomposition based on wavelet transform and fractal geometry was applied to process surface profiles, to evaluate the roughness trend of relevant frequency resolution. The results give a six-level decomposition and the results change with deposited time and surface morphology. Also, it is found that fractal dimension is closely connected to the underside diameter (grain size) and the distance between adjacent grains that affect the change rate of surface and the increase of the defects such as abrupt changes lead to a larger value of fractal dimension.

  9. The Effect of Laminin-1-Doped Nanoroughened Implant Surfaces: Gene Expression and Morphological Evaluation

    Directory of Open Access Journals (Sweden)

    Humberto Osvaldo Schwartz-Filho

    2012-01-01

    Full Text Available Aim. This study aimed to observe the morphological and molecular effect of laminin-1 doping to nanostructured implant surfaces in a rabbit model. Materials and Methods. Nanostructured implants were coated with laminin-1 (test; dilution, 100 μg/mL and inserted into the rabbit tibiae. Noncoated implants were used as controls. After 2 weeks of healing, the implants were removed and subjected to morphological analysis using scanning electron microscopy (SEM and gene expression analysis using the real-time reverse transcriptase-polymerase chain reaction (RT-PCR. Results. SEM revealed bony tissue attachment for both control and test implants. Real-time RT-PCR analysis showed that the expression of osteoblast markers RUNX-2, osteocalcin, alkaline phosphatase, and collagen I was higher (1.62-fold, 1.53-fold, 1.97-fold, and 1.04-fold, resp. for the implants modified by laminin-1 relative to the control. All osteoclast markers investigated in the study presented higher expression on the test implants than controls as follows: tartrate-resistant acid phosphatase (1.67-fold, calcitonin receptor (1.35-fold, and ATPase (1.25-fold. The test implants demonstrated higher expression of inflammatory markers interleukin-10 (1.53-fold and tumour necrosis factor-α (1.61-fold relative to controls. Conclusion. The protein-doped surface showed higher gene expression of typical genes involved in the osseointegration cascade than the control surface.

  10. Strong compensation hinders the p-type doping of ZnO: a glance over surface defect levels

    Science.gov (United States)

    Huang, B.

    2016-07-01

    We propose a surface doping model of ZnO to elucidate the p-type doping and compensations in ZnO nanomaterials. With an N-dopant, the effects of N on the ZnO surface demonstrate a relatively shallow acceptor level in the band gap. As the dimension of the ZnO materials decreases, the quantum confinement effects will increase and render the charge transfer on surface to influence the shifting of Fermi level, by evidence of transition level changes of the N-dopant. We report that this can overwhelm the intrinsic p-type conductivity and transport of the ZnO bulk system. This may provide a possible route of using surface doping to modify the electronic transport and conductivity of ZnO nanomaterials.

  11. Biocompatibility of Mg Ion Doped Hydroxyapatite Films on Ti-6Al-4V Surface by Electrochemical Deposition.

    Science.gov (United States)

    Lee, Kang; Choe, Han-Cheol

    2016-02-01

    In this study, we prepared magnesium (Mg) doped nano-phase hydroxyapatite (HAp) films on the TiO2 nano-network surface using electrochemical deposition method. Ti-6Al-4V ELI surface was anodized in 5 M NaOH solution at 0.3 A for 10 min. Nano-network TiO2 surface were formed by these anodization steps which acted as templates and anchorage for growth of the Mg doped HAp during subsequent pulsed electrochemical deposition process at 85 degrees C. The phase and morphologies of HAp deposits were influenced by the Mg ion concentration.

  12. Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

    KAUST Repository

    Yadav, Manoj Kumar

    2016-06-16

    The adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO(100) surface has been studied employing density functional theory. It is found that all these transition metals (TM) on MgO(100) surface are capable of adsorbing dinitrogen (N2), however there is no dissociative adsorption of N2 on single transition metal dopant. When two TM atoms are doped on MgO(100) surface, dissociative adsorption of dinitrogen occurs in all the three cases. Whether the dissociation is spontaneous or is it associated with activation barrier depends on the orientation of N2 molecule approaching the dopant site.

  13. Ultra-low carrier concentration and surface-dominant transport in antimony-doped Bi2Se3 topological insulator nanoribbons

    KAUST Repository

    Hong, Seung Sae; Cha, Judy J.; Kong, Desheng; Cui, Yi

    2012-01-01

    A topological insulator is the state of quantum matter possessing gapless spin-locking surface states across the bulk band gap, which has created new opportunities from novel electronics to energy conversion. However, the large concentration of bulk residual carriers has been a major challenge for revealing the property of the topological surface state by electron transport measurements. Here we report the surface-state-dominant transport in antimony-doped, zinc oxide-encapsulated Bi2Se3 nanoribbons with suppressed bulk electron concentration. In the nanoribbon with sub-10-nm thickness protected by a zinc oxide layer, we position the Fermi levels of the top and bottom surfaces near the Dirac point by electrostatic gating, achieving extremely low two-dimensional carrier concentration of 2×10 11cm-2. The zinc oxide-capped, antimony-doped Bi 2Se3 nanostructures provide an attractive materials platform to study fundamental physics in topological insulators, as well as future applications. © 2012 Macmillan Publishers Limited. All rights reserved.

  14. Ultra-low carrier concentration and surface-dominant transport in antimony-doped Bi2Se3 topological insulator nanoribbons

    KAUST Repository

    Hong, Seung Sae

    2012-03-27

    A topological insulator is the state of quantum matter possessing gapless spin-locking surface states across the bulk band gap, which has created new opportunities from novel electronics to energy conversion. However, the large concentration of bulk residual carriers has been a major challenge for revealing the property of the topological surface state by electron transport measurements. Here we report the surface-state-dominant transport in antimony-doped, zinc oxide-encapsulated Bi2Se3 nanoribbons with suppressed bulk electron concentration. In the nanoribbon with sub-10-nm thickness protected by a zinc oxide layer, we position the Fermi levels of the top and bottom surfaces near the Dirac point by electrostatic gating, achieving extremely low two-dimensional carrier concentration of 2×10 11cm-2. The zinc oxide-capped, antimony-doped Bi 2Se3 nanostructures provide an attractive materials platform to study fundamental physics in topological insulators, as well as future applications. © 2012 Macmillan Publishers Limited. All rights reserved.

  15. The effects of antimony doping on the surface structure of rutile TiO2(110)

    International Nuclear Information System (INIS)

    Bechstein, Ralf; Schuette, Jens; Kuehnle, Angelika; Kitta, Mitsunori; Onishi, Hiroshi

    2009-01-01

    Titanium dioxide represents a very important wide bandgap photocatalyst that is known to be sensitized to visible light by transition metal doping. Antimony doping has been demonstrated to provide photocatalytic activity when codoped with chromium at an optimum dopant ratio [Sb]/[Cr] of about 1.5. Here, the role of antimony doping on the surface structure of rutile TiO 2 (110) is studied using non-contact atomic force microscopy (NC-AFM) under ultra-high vacuum conditions. At first glance, the surface structure of antimony-doped TiO 2 (110) resembles the structure of pristine TiO 2 (110). However, in contrast to what is found in pristine TiO 2 (110), a dense layer of protruding features is observed upon antimony doping, which is tentatively ascribed to antimony-rich clusters. Moreover, homogeneously distributed holes are found on the surface, which differ in depth and shape depending on the preparation conditions. Holes with depths ranging from a few up to more than a hundred monatomic steps are observed. These holes are explained by surface segregation of antimony during annealing, as the ionic radius of Sb 3+ is considerably larger than the ionic radius of Ti 4+ . Our finding provides an indication of why an antimony concentration larger than the optimum ratio results in decreased photocatalytic activity. Moreover, controlling annealing temperature seems to constitute a promising strategy for creating nanosized holes on TiO 2 surfaces.

  16. Investigation of fluorine adsorption on nitrogen doped MgAl_2O_4 surface by first-principles

    International Nuclear Information System (INIS)

    Lv, Xiaojun; Xu, Zhenming; Li, Jie; Chen, Jiangan; Liu, Qingsheng

    2016-01-01

    Graphical abstract: First-principles calculations indicate that MgAl_2O_4 surface is fluorine-loving, but hydrophobic. N doped MgAl_2O_4 (100) surface structure shows the highest fluorine adsorption performance and fluorine atom is more preferentially adsorbed on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: N doped MgAl_2O_4 (100) > Al_2O_3 (0001) > MgAl_2O_4 (100) > MgO (100). N doped MgAl_2O_4 is a promising candidate for fluorine removal. - Highlights: • MgAl_2O_4 surface is fluorine-loving, not hydrophilic. • Fluorine preferentially adsorbs on the Mg-Al bridge site. • Adsorption intensity follow this order: N doped MgAl_2O_4 > Al_2O_3 > MgAl_2O_4 > MgO. • Excellent adsorption performance attributes to electron compensation of N atom. • Nitrogen doped MgAl_2O_4 is a promising candidate for fluorine removal. - Abstract: The nature of fluorine adsorption on pure and N doped MgAl_2O_4 surface has been investigated by first-principles calculations based on the density functional theory. Calculated results indicate that MgAl_2O_4 surface is fluorine-loving, not hydrophilic. Nitrogen doped MgAl_2O_4 (100) surface shows the highest fluorine adsorption performance and fluorine atom preferentially adsorbs on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: Nitrogen doped MgAl_2O_4 (100) > Al_2O_3 (0001) > MgAl_2O_4 (100) > MgO (100). In-depth PDOS analysis suggested that 2p orbitals of F atom strongly hybridized with 3s- and 3p-orbitals of Al atom contribute to its high adsorption intensity. According to the analysis of Hirshfeld charge, the excellent fluorine adsorption performance of nitrogen doped MgAl_2O_4 attributes to the electron compensation effect of nitrogen atom and strong electrostatic interactions. All these evidences demonstrate a fact nitrogen doped MgAl_2O_4 is a promising candidate for fluorine removal.

  17. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

    2014-01-01

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  18. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong

    2014-02-07

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  19. Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

    KAUST Repository

    Yadav, Manoj Kumar; Vovusha, Hakkim; Sanyal, Biplab

    2016-01-01

    The adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO(100) surface has been studied employing density functional theory. It is found that all these transition metals (TM) on MgO(100) surface are capable

  20. Surface modification of sol–gel synthesized TiO{sub 2} nanoparticles induced by La-doping

    Energy Technology Data Exchange (ETDEWEB)

    Grujić-Brojčin, M., E-mail: myramyra@ipb.ac.rs [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Armaković, S. [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovića 3, 21000 Novi Sad (Serbia); Tomić, N. [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Abramović, B. [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovića 3, 21000 Novi Sad (Serbia); Golubović, A.; Stojadinović, B. [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Kremenović, A. [Faculty of Mining and Geology, Laboratory for Crystallography, University of Belgrade, Đušina 7, 11000 Belgrade (Serbia); Babić, B. [Institute of Nuclear Sciences “Vinča”, University of Belgrade, 11001 Belgrade (Serbia); Dohčević-Mitrović, Z.; Šćepanović, M. [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia)

    2014-02-15

    The influence of La-doping in the range of 0.5–6.0 mol% on structural and morphological properties of TiO{sub 2} nanopowders synthesized by sol–gel routine has been investigated by XRPD, AFM, EDS and BET measurements, as well as Raman spectroscopy. The XRPD and Raman measurements have revealed the anatase phase as dominant in all nanopowders, with crystallite size decreasing from ∼ 15 nm in pure TiO{sub 2} to ∼ 12 nm in La-doped samples. The BET data suggest that all samples are fully mesoporous, with mean pore diameters in the range of ∼ 6–8 nm. The specific surface area and the complexity of pore structure are greater in doped samples than in pure TiO{sub 2} sample. The spectroscopic ellipsometry has apparently shown that the band gap has been gradually increased with the increase of La content. The STM and STS techniques have been used successfully to evaluate the surface morphology and electronic properties of La-doped nanopowders. All investigated properties have been related to photocatalytic activity, tested in degradation of a metoprolol tartrate salt (0.05 mM), and induced by UV-radiation. All doped samples showed increased photocatalytic activity compared to pure TiO{sub 2}, among which the 0.65 mol% La-doped sample appeared to be the most efficient. - Highlights: • Effects of La-doping on structural, morphological and electronic properties of TiO{sub 2} nanopowders. • Surface morphology and electronic properties of La-doped nanopowders evaluated by STM/STS. • Spectroscopic ellipsometry shown gradual increase of bandgap with the increase of La content. • Photocatalytic activity of samples was tested in degradation of MET under UV light.

  1. Spin-state blockade in Te6+-substituted electron-doped LaCoO3

    Science.gov (United States)

    Tomiyasu, Keisuke; Koyama, Shun-Ichi; Watahiki, Masanori; Sato, Mika; Nishihara, Kazuki; Onodera, Mitsugi; Iwasa, Kazuaki; Nojima, Tsutomu; Yamasaki, Yuuichi; Nakao, Hironori; Murakami, Youichi

    2015-03-01

    Perovskite-type LaCoO3 (Co3+: d6) is a rare inorganic material with sensitive and characteristic responses among low, intermediate, and high spin states. For example, in insulating nonmagnetic low-spin states below about 20 K, light hole doping (Ni substitution) induces much larger magnetization than expected; over net 10μB/hole (5μB/Ni) for 1μB/hole (1μB/Ni), in which the nearly isolated dopants locally change the surrounding Co low-spin states to magnetic ones and form spin molecules with larger total spin. Further, the former is isotropic, whereas the latter exhibits characteristic anisotropy probably because of Jahn-Teller distortion. In contrast, for electron doping, relatively insensitive spin-state responses were reported, as in LaCo(Ti4+) O3, but are not clarified, and are somewhat controversial. Here, we present macroscopic measurement data of another electron-doped system LaCo(Te6+) O3 and discuss the spin-state responses. This study was financially supported by Grants-in-Aid for Young Scientists (B) (No. 22740209 and 26800174) from the MEXT of Japan.

  2. Plasma etching treatment for surface modification of boron-doped diamond electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Kondo, Takeshi [Department of Industrial Chemistry, Faculty of Engineering, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Ito, Hiroyuki [Department of Industrial Chemistry, Faculty of Engineering, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Kusakabe, Kazuhide [Department of Applied Physics, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Ohkawa, Kazuhiro [Department of Applied Physics, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Einaga, Yasuaki [Department of Chemistry, Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Yokohama 223-8522 (Japan); Fujishima, Akira [Kanagawa Academy of Science and Technology (KAST), 3-2-1 Sakado, Takatsu-ku, Kawasaki, Kanagawa 213-0012 (Japan); Kawai, Takeshi [Department of Industrial Chemistry, Faculty of Engineering, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan)]. E-mail: kawai@ci.kagu.tus.ac.jp

    2007-03-01

    Boron-doped diamond (BDD) thin film surfaces were modified by brief plasma treatment using various source gases such as Cl{sub 2}, CF{sub 4}, Ar and CH{sub 4}, and the electrochemical properties of the surfaces were subsequently investigated. From X-ray photoelectron spectroscopy analysis, Cl and F atoms were detected on the BDD surfaces after 3 min of Cl{sub 2} and CF{sub 4} plasma treatments, respectively. From the results of cyclic voltammetry and electrochemical AC impedance measurements, the electron-transfer rate for Fe(CN){sub 6} {sup 3-/4-} and Fe{sup 2+/3+} at the BDD electrodes was found to decrease after Cl{sub 2} and CF{sub 4} plasma treatments. However, the electron-transfer rate for Ru(NH{sub 3}){sub 6} {sup 2+/3+} showed almost no change after these treatments. This may have been related to the specific interactions of surface halogen (C-Cl and C-F) moieties with the redox species because no electrical passivation was observed after the treatments. In addition, Raman spectroscopy showed that CH{sub 4} plasma treatment of diamond surfaces formed an insulating diamond-like carbon thin layer on the surfaces. Thus, by an appropriate choice of plasma source, short-duration plasma treatments can be an effective way to functionalize diamond surfaces in various ways while maintaining a wide potential window and a low background current.

  3. Photoluminescence enhancement of dye-doped nanoparticles by surface plasmon resonance effects of gold colloidal nanoparticles

    International Nuclear Information System (INIS)

    Chu, Viet Ha; Nghiem, Thi Ha Lien; Tran, Hong Nhung; Fort, Emmanuel

    2011-01-01

    Due to the energy transfer from surface plasmons, the fluorescence of fluorophores near metallic nanostructures can be enhanced. This effect has been intensively studied recently for biosensor applications. This work reports on the luminescence enhancement of 100 nm Cy3 dye-doped polystyrene nanoparticles by energy transfer from surface plasmons of gold colloidal nanoparticles with sizes of 20 and 100 nm. Optimal luminescence enhancement of the fluorophores has been observed in the mixture with 20 nm gold nanoparticles. This can be attributed to the resonance energy transfer from gold nanoparticles to the fluorophore beads. The interaction between the fluorophores and gold particles is attributed to far-field interaction

  4. Impurity Resonant States p-type Doping in Wide-Band-Gap Nitrides

    Science.gov (United States)

    Liu, Zhiqiang; Yi, Xiaoyan; Yu, Zhiguo; Yuan, Gongdong; Liu, Yang; Wang, Junxi; Li, Jinmin; Lu, Na; Ferguson, Ian; Zhang, Yong

    2016-01-01

    In this work, a new strategy for achieving efficient p-type doping in high bandgap nitride semiconductors to overcome the fundamental issue of high activation energy has been proposed and investigated theoretically, and demonstrated experimentally. Specifically, in an AlxGa1-xN/GaN superlattice structure, by modulation doping of Mg in the AlxGa1-xN barriers, high concentration of holes are generated throughout the material. A hole concentration as high as 1.1 × 1018 cm-3 has been achieved, which is about one order of magnitude higher than that typically achievable by direct doping GaN. Results from first-principle calculations indicate that the coupling and hybridization between Mg 2p impurity and the host N 2p orbitals are main reasons for the generation of resonant states in the GaN wells, which further results in the high hole concentration. We expect this approach to be equally applicable for other high bandgap materials where efficient p-type doing is difficult. Furthermore, a two-carrier-species Hall-effect model is proposed to delineate and discriminate the characteristics of the bulk and 2D hole, which usually coexist in superlattice-like doping systems. The model reported here can also be used to explain the abnormal freeze-in effect observed in many previous reports.

  5. Exciton states in GaAs δ-doped systems under magnetic fields and hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Ave. Universidad 1001, CP 62209 Cuernavaca, Morelos (Mexico); Instituto de Física, Universidad de Antioquia, AA 1226 Medellín (Colombia); Duque, C.A., E-mail: cduque@fisica.udea.edu.co [Instituto de Física, Universidad de Antioquia, AA 1226 Medellín (Colombia)

    2013-04-15

    Excitons in GaAs n-type δ-doped quantum wells are studied taking into account the effects of externally applied magnetic fields as well as of hydrostatic pressure. The one-dimensional potential profile in both the conduction and valence bands is described including Hartree effects via a Thomas–Fermi-based local density approximation. The allowed uncorrelated energy levels are calculated within the effective mass and envelope function approximations by means of an expansion over an orthogonal set of infinite well eigenfunctions and a variational method is used to obtain the exciton states. The results are presented as functions of the two-dimensional doping concentration and the magnetic field strength for zero and finite values of the hydrostatic pressure. In general, it is found that the exciton binding energy is a decreasing function of the doping-density and an increasing function of the magnetic field intensity. A comparison with recent experiments on exciton-related photoluminescence in n-type δ-doped GaAs is made.

  6. Tunable ultraviolet solid-state dye laser based on MPMMA doped with pyrromethene 597

    International Nuclear Information System (INIS)

    Jiang, Y G; Fan, R W; Xia, Y Q; Chen, D Y

    2011-01-01

    Solid-state dye sample based on modified polymethyl methacrylate (MPMMA) co-doped with pyrromethene 597 (PM597), and coumarin 460 (C460) were prepared. A frequency-doubled pulsed Nd:YAG laser is used to pump solid-state dye sample, and the narrow linewidth dye laser of 94.4 mJ was obtained at 582 nm in an oscillator-amplifier configuration. Using a beta-BaB 2 O 4 (BBO) crystal to frequency double the dye laser into ultraviolet (UV), a tuning range from 279 to 305 nm was demonstrated from a single doped PM597 dye. To the best of our knowledge, the UV tuning range is the best under the same condition so far. The conversion slope efficiency from solid dye laser to UV laser was 8.9% and the highest UV laser output energy reached 6.94 mJ at 291 nm

  7. Calcium doped MAPbI3 with better energy state alignment in perovskite solar cells

    Science.gov (United States)

    Lu, Chaojie; Zhang, Jing; Hou, Dagang; Gan, Xinlei; Sun, Hongrui; Zeng, Zhaobing; Chen, Renjie; Tian, Hui; Xiong, Qi; Zhang, Ying; Li, Yuanyuan; Zhu, Yuejin

    2018-05-01

    The organic-inorganic perovskite material with better energy alignment in the solar cell device will have a profound impact on the solar cell performance. It is valuable to tune the energy states by element substitution and doping in perovskites. Here, we present that Ca2+ is incorporated into CH3NH3PbI3, which up-shifts the valence band maximum and the conduction band minimum, leading to a difference between the bandgap and the Fermi level in the device. Consequently, Ca2+ incorporation results in an enhancement of the photovoltage and photocurrent, achieving a summit efficiency of 18.3% under standard 1 sun (AM 1.5). This work reveals the doped perovskite to improve the solar cell performance by tuning the energy state.

  8. Site-selective substitutional doping with atomic precision on stepped Al (111) surface by single-atom manipulation.

    Science.gov (United States)

    Chen, Chang; Zhang, Jinhu; Dong, Guofeng; Shao, Hezhu; Ning, Bo-Yuan; Zhao, Li; Ning, Xi-Jing; Zhuang, Jun

    2014-01-01

    In fabrication of nano- and quantum devices, it is sometimes critical to position individual dopants at certain sites precisely to obtain the specific or enhanced functionalities. With first-principles simulations, we propose a method for substitutional doping of individual atom at a certain position on a stepped metal surface by single-atom manipulation. A selected atom at the step of Al (111) surface could be extracted vertically with an Al trimer-apex tip, and then the dopant atom will be positioned to this site. The details of the entire process including potential energy curves are given, which suggests the reliability of the proposed single-atom doping method.

  9. Facile synthesis of surface N-doped Bi_2O_2CO_3: Origin of visible light photocatalytic activity and in situ DRIFTS studies

    International Nuclear Information System (INIS)

    Zhou, Ying; Zhao, Ziyan; Wang, Fang; Cao, Kun; Doronkin, Dmitry E.; Dong, Fan; Grunwaldt, Jan-Dierk

    2016-01-01

    Graphical abstract: Surfactant (CTAB) can induce nitrogen interstitially doping in the Bi_2O_2CO_3 surface, leading to the formation of localized states from N−O bond, which probably account for the origin of the visible light activity. Moreover, the photocatalytic NO oxidation processes over Bi_2O_2CO_3 were successfully monitored for the first time by in situ DRIFTS. - Highlights: • Interstitially doping N in the Bi_2O_2CO_3 surface was achieved at room temperature. • N-doped Bi_2O_2CO_3 exhibited significantly enhanced visible light photocatalytic activity compared to the pristine Bi_2O_2CO_3. • The formation of localized states from N−O bond could account for the visible light activity of Bi_2O_2CO_3. • The photocatalytic NO oxidation process was monitored by in situ DRIFTS. - Abstract: Bi_2O_2CO_3 nanosheets with exposed {001} facets were prepared by a facile room temperature chemical method. Due to the high oxygen atom density in {001} facets of Bi_2O_2CO_3, the addition of cetyltrimethylammonium bromide (CTAB) does not only influence the growth of crystalline Bi_2O_2CO_3, but also modifies the surface properties of Bi_2O_2CO_3 through the interaction between CTAB and Bi_2O_2CO_3. Nitrogen from CTAB as dopant interstitially incorporates in the Bi_2O_2CO_3 surface evidenced by both experimental and theoretical investigations. Hence, the formation of localized states from N−O bond improves the visible light absorption and charge separation efficiency, which leads to an enhancement of visible light photocatalytic activity toward to the degradation of Rhodamine B (RhB) and oxidation of NO. In addition, the photocatalytic NO oxidation over Bi_2O_2CO_3 nanosheets was successfully monitored for the first time using in situ diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS). Both bidentate and monodentate nitrates were identified on the surface of catalysts during the photocatalytic reaction process. The application of this strategy to

  10. Disorder-driven metal-insulator-transition assisted by interband Coulomb repulsion in a surface transfer doped electron system

    Science.gov (United States)

    Francisco Sánchez-Royo, Juan

    2012-12-01

    The two-dimensional conducting properties of the Si(111) \\sqrt {3} \\times \\sqrt {3} surface doped by the charge surface transfer mechanism have been calculated in the frame of a semiclassical Drude-Boltzmann model considering donor scattering mechanisms. To perform these calculations, the required values of the carrier effective mass were extracted from reported angle-resolved photoemission results. The calculated doping dependence of the surface conductance reproduces experimental results reported and reveals an intricate metallization process driven by disorder and assisted by interband interactions. The system should behave as an insulator even at relatively low doping due to disorder. However, when doping increases, the system achieves to attenuate the inherent localization effects introduced by disorder and to conduct by percolation. The mechanism found by the system to conduct appears to be connected with the increasing of the carrier effective mass observed with doping, which seems to be caused by interband interactions involving the conducting band and deeper ones. This mass enhancement reduces the donor Bohr radius and, consequently, promotes the screening ability of the donor potential by the electron gas.

  11. Multifold polar states in Zn-doped Sr0.9Ba0.1TiO3 ceramics

    Science.gov (United States)

    Guo, Yan-Yan; Guo, Yun-Jun; Wei, Tong; Liu, Jun-Ming

    2015-12-01

    We investigate the effect of Zn doping on the dielectricity and ferroelectricity of a series of polycrystalline Sr0.9-xZnxBa0.1TiO3 (0.0% ≤ x ≤ 5.0%) ceramics. It is surprisingly observed that the Zn doping will produce the multifold polar states, i.e., the Zn-doped ceramic will convert a reduced polar state into an enhanced polar state, and eventually into a stabilized polar state with increasing the doping level x. It is revealed that in the background of quantum fluctuations, the competition between the Zn-doping-induced lattice contraction and the Ba-doping-induced lattice expansion is responsible for both the reduced polar state and the enhanced polar state coming into being. Also, the addition of the antiferrodistortive effect, which is the antipolar interaction originating from the opposite tilted-TiO6 octahedra rotation, represents the core physics behind the stabilized polar state. Project supported by the National Natural Science Foundation of China (Grant Nos. 11304158, 51431006, 51102277, and 11104118), the Scientific Research Foundation of Nanjing University of Posts and Telecommunications, China (Grant No. NY213020), and the Qing Lan Project of Jiangsu Province, China.

  12. Synthesis of fluorine- doped silica-coating by fluorosilane nanofluid to ultrahydrophobic and ultraoleophobic surface

    Science.gov (United States)

    Saboori, R.; Azin, R.; Osfouri, Sh; Sabbaghi, S.; Bahramian, A.

    2017-10-01

    Liquid repellency treatment has many applications in various sectors including oil and gas reservoirs and self-cleaning surfaces. In this study, effect of silica, fluorine-doped silica and fluorine-doped silica-coating by fluorosilane nanofluid on ultrahydrophobic and ultraoleophobic surface of carbonate and sandstone rock were investigated. The nanoparticles were synthesized by sol-gel method and characterized using XRD, FTIR, FESEM and DLS and nanofluid was prepared. F-SiO2-F nanoparticle was adsorbed on surface of rocks and confirmed by FESEM and EDXA. Effect of nanofluid on wettability was investigated by measuring contact angles of water, crude oil, condensate, n-decane and ethylene glycol in air and stability of ultrahydrophobic and ultraoleophobic was investigated. Results show that nanofluid (0.05 wt% of nanoparticle) changes contact angle from strongly liquid-wet to strongly gas-wet in all systems. The original contact angle of water, crude oil, condensate, n-decane and ethylene glycol were 37.95°, 0°, 0°, 0° and 0° for carbonate rock and 40.30°, 0°, 0°, 0° and 0° for sandstone rock which altered to 146.47°, 145.59°, 138.24°, 139.06° and 146.52° for carbonate rock and 160.01°, 151.40°, 131.85°, 140.27° and 151.70° for sandstone rock after treatment. The ultraoleophobic and ultrahydrophobic stability were  >48 h and 120 min.

  13. Design analysis of doped-silicon surface plasmon resonance immunosensors in mid-infrared range.

    Science.gov (United States)

    DiPippo, William; Lee, Bong Jae; Park, Keunhan

    2010-08-30

    This paper reports the design analysis of a microfabricatable mid-infrared (mid-IR) surface plasmon resonance (SPR) sensor platform. The proposed platform has periodic heavily doped profiles implanted into intrinsic silicon and a thin gold layer deposited on top, making a physically flat grating SPR coupler. A rigorous coupled-wave analysis was conducted to prove the design feasibility, characterize the sensor's performance, and determine geometric parameters of the heavily doped profiles. Finite element analysis (FEA) was also employed to compute the electromagnetic field distributions at the plasmon resonance. Obtained results reveal that the proposed structure can excite the SPR on the normal incidence of mid-IR light, resulting in a large probing depth that will facilitate the study of larger analytes. Furthermore, the whole structure can be microfabricated with well-established batch protocols, providing tunability in the SPR excitation wavelength for specific biosensing needs with a low manufacturing cost. When the SPR sensor is to be used in a Fourier-transform infrared (FTIR) spectroscopy platform, its detection sensitivity and limit of detection are estimated to be 3022 nm/RIU and ~70 pg/mm(2), respectively, at a sample layer thickness of 100 nm. The design analysis performed in the present study will allow the fabrication of a tunable, disposable mid-IR SPR sensor that combines advantages of conventional prism and metallic grating SPR sensors.

  14. Temperature dependent dual hydrogen sensor response of Pd nanoparticle decorated Al doped ZnO surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, D.; Barman, P. B.; Hazra, S. K., E-mail: surajithazra@yahoo.co.in [Department of Physics and Materials Science, Jaypee University of Information Technology, Waknaghat, Solan, Himachal Pradesh-173234 (India); Dutta, D. [IC Design and Fabrication Centre, Department of Electronics and Telecommunication Engineering, Jadavpur University, Kolkata-700032 (India); Kumar, M.; Som, T. [SUNAG Laboratory, Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India)

    2015-10-28

    Sputter deposited Al doped ZnO (AZO) thin films exhibit a dual hydrogen sensing response in the temperature range 40 °C–150 °C after surface modifications with palladium nanoparticles. The unmodified AZO films showed no response in hydrogen in the temperature range 40 °C–150 °C. The operational temperature windows on the low and high temperature sides have been estimated by isolating the semiconductor-to-metal transition temperature zone of the sensor device. The gas response pattern was modeled by considering various adsorption isotherms, which revealed the dominance of heterogeneous adsorption characteristics. The Arrhenius adsorption barrier showed dual variation with change in hydrogen gas concentration on either side of the semiconductor-to-metal transition. A detailed analysis of the hydrogen gas response pattern by considering the changes in nano palladium due to hydrogen adsorption, and semiconductor-to-metal transition of nanocrystalline Al doped ZnO layer due to temperature, along with material characterization studies by glancing incidence X-ray diffraction, atomic force microscopy, and transmission electron microscopy, are presented.

  15. Effect of rapid thermal treatment on optical properties of porous silicon surface doped lithium

    Energy Technology Data Exchange (ETDEWEB)

    Haddadi, Ikbel, E-mail: haded.ikbel@yahoo.fr; Slema, Sonia Ben; Amor, Sana Ben; Bousbih, Rabaa; Bardaoui, Afrah; Dimassi, Wissem; Ezzaouia, Hatem

    2015-04-15

    In this paper, we have studied the effect of rapid thermal annealing on the optical properties of porous silicon layers doped with lithium (Li/PS). Surface modification of As-deposited Li/PS samples through thermal annealing were investigated by varying the temperature from 100 °C to 800 °C in an infrared (IR) heated belt furnace. A decrease in the reflectivity to about 6% for Li/PS annealed at 200 °C was obtained. From Photoluminescence (PL) spectra, a blue-shift of the gap was observed when the temperature is increased to 800 °C; we correlate these results to the change in chemical composition of the layers in order to find the optimized conditions for a potential application in silicon solar cells. - Highlights: • We have varied the annealing temperature of PS doped with Li. • PL intensity shows significant variation as function of temperature. • We observe reduce of Si–O–Li bands with increasing temperature. • Concurrent with the loss of Li we observe a decrease of the PL.

  16. Density functional theory study of hydrogenation mechanism in Fe-doped Mg(0 0 0 1) surface

    International Nuclear Information System (INIS)

    Wu Guangxin; Zhang Jieyu; Wu Yongquan; Li Qian; Chou Kuochih; Bao Xinhua

    2009-01-01

    Using density functional theory (DFT) in combination with nudged elastic band (NEB) method, the dissociative chemisorptions and diffusion processes of hydrogen on both pure and Fe-doped Mg(0 0 0 1) surfaces are studied. Firstly, the dissociation pathway of H 2 and the relative barrier were investigated. The calculated dissociation barrier (1.08 eV) of hydrogen molecule on a pure Mg(0 0 0 1) surface is in good agreement with comparable experimental and theoretical studies. For the Fe-doped Mg(0 0 0 1) surface, the activated barrier decreases to 0.101 eV due to the strong interaction between the s orbital of H and the d orbital of Fe. Then, the diffusion processes of atomic hydrogen on pure and Fe-doped Mg(0 0 0 1) are presented. The obtained diffusion barrier to the first subsurface is 0.45 eV and 0.98 eV, respectively. Finally, Chou method was used to investigate the hydrogen sorption kinetic mechanism of pure MgH 2 and Mg mixed with 5 at.% Fe atoms composites. The obtained activation energies are 0.87 ± 0.02 and 0.31 ± 0.01 eV for H 2 dissociation on the pure surface and H atom diffusion in Fe-doped Mg surfaces, respectively. It suggests that the rate-controlling step is dissociation of H 2 on the pure Mg surface while it is diffusion of H atom in the Fe-doped Mg surface. And both of fitting data are matching well with our calculation results.

  17. Theory of novel normal and superconducting states in doped oxide high-Tc superconductors

    International Nuclear Information System (INIS)

    Dzhumanov, S.

    2001-10-01

    A consistent and complete theory of the novel normal and superconducting (SC) states of doped high-T c superconductors (HTSC) is developed by combining the continuum model of carrier self-trapping, the tight-binding model and the novel Fermi-Bose-liquid (FBL) model. The ground-state energy of carriers in lightly doped HTSC is calculated within the continuum model and adiabatic approximation using the variational method. The destruction of the long-range antiferromagnetic (AF) order at low doping x≥ x cl ≅0.015, the formation of the in-gap states or bands and novel (bi)polaronic insulating phases at x c2 ≅0.06-0.08, and the new metal- insulator transition at x≅x c2 in HTSC are studied within the continuum model of impurity (defect) centers and large (bi)polarons by using the appropriate tight-binding approximations. It is found that the three-dimensional (3d) large (bi)polarons are formed at ε ∞ /ε 0 ≤0.1 and become itinerant when the (bi)polaronic insulator-to-(bi)polaronic metal transitions occur at x x c2 . We show that the novel pseudogapped metallic and SC states in HTSC are formed at x c2 ≤x≤x p ≅0.20-0.24. We demonstrate that the large polaronic and small BCS-like pairing pseudogaps opening in the excitation spectrum of underdoped (x c2 BCS =0.125), optimally doped (x BCS o ≅0.20) and overdoped (x>x o ) HTSC above T c are unrelated to superconductivity and they are responsible for the observed anomalous optical, transport, magnetic and other properties of these HTSC. We develop the original two-stage FBL model of novel superconductivity describing the combined novel BCS-like pairing scenario of fermions and true superfluid (SF) condensation scenario of composite bosons (i.e. bipolarons and cooperons) in any Fermi-systems, where the SF condensate gap Δ B and the BCS-like pairing pseudogap Δ F have different origins. The pair and single particle condensations of attracting 3d and two- dimensional (2d) composite bosons are responsible for

  18. Two approaches to form antibacterial surface: Doping with bactericidal element and drug loading

    Energy Technology Data Exchange (ETDEWEB)

    Sukhorukova, I.V.; Sheveyko, A.N.; Kiryukhantsev-Korneev, Ph.V. [National University of Science and Technology “MISIS”, Leninsky pr. 4, Moscow 119049 (Russian Federation); Anisimova, N.Y.; Gloushankova, N.A.; Zhitnyak, I.Y. [N.N Blokhin Russian Cancer Research Center of RAMS, Kashirskoe shosse 24, Moscow 115478 (Russian Federation); Benesova, J. [Institute of Experimental Medicine of the ASCR, Vídenska 1083, Prague 14220 (Czech Republic); Institute of Biophysics, 2nd Faculty of Medicine, Charles University in Prague, V Uvalu 84, Prague 15006 (Czech Republic); Amler, E. [Institute of Experimental Medicine of the ASCR, Vídenska 1083, Prague 14220 (Czech Republic); Faculty of Biomedical Engineering, Czech Technical University in Prague (Czech Republic); Shtansky, D.V., E-mail: shtansky@shs.misis.ru [National University of Science and Technology “MISIS”, Leninsky pr. 4, Moscow 119049 (Russian Federation)

    2015-03-01

    Graphical abstract: - Highlights: • Bioactive materials with rate-controlled release of antibacterial agent. • Ag{sup +} ion release from TiCaPCON-Ag films depended on Ag content. • TiCaPCON-coated Ti network structure with blind pores loaded with co-amoxiclav. • Strong bactericidal effect of drug-loaded samples. • Antibacterial yet biocompatible and bioactive surfaces. - Abstract: Two approaches (surface doping with bactericidal element and loading of antibiotic into specially formed surface microcontainers) to the fabrication of antibacterial yet biocompatible and bioactive surfaces are described. A network structure with square-shaped blind pores of 2.6 ± 0.6 × 10{sup −3} mm{sup 3} for drug loading was obtained by selective laser sintering (SLS). The SLS-fabricated samples were loaded with 0.03, 0.3, 2.4, and 4 mg/cm{sup 2} of co-amoxiclav (amoxicillin and clavulanic acid). Ag-doped TiCaPCON films with 0.4, 1.2, and 4.0 at.% of Ag were obtained by co-sputtering of composite TiC{sub 0.5}-Ca{sub 3}(PO{sub 4}){sub 2} and metallic Ag targets. The surface structure of SLS-prepared samples and cross-sectional morphology of TiCaPCON-Ag films were studied by scanning electron microscopy. The through-thickness of Ag distribution in the TiCaPCON-Ag films was obtained by glow discharge optical emission spectroscopy. The kinetics of Ag ion release in normal saline solution was studied using inductively coupled plasma mass spectrometry. Bacterial activity of the samples was evaluated against S. epidermidis, S. aureus, and K. pneum. ozaenae using the agar diffusion test and photometric method by controlling the variation of optical density of the bacterial suspension over time. Cytocompatibility of the Ag-doped TiCaPCON films was observed in vitro using chondrocytic and MC3T3-E1 osteoblastic cells. The viability and proliferation of chondrocytic cells were determined using the MTS assay and PicoGreen assay tests, respectively. The alkaline phosphatase (ALP

  19. Surface studies on benzophenone doped PDMS microstructures fabricated using KrF excimer laser direct write lithography

    Energy Technology Data Exchange (ETDEWEB)

    Kant, Madhushree Bute; Shinde, Shashikant D. [Department of Physics, University of Pune, Pune 411007 (India); Bodas, Dhananjay [Centre for Nanobioscience, Agharkar Research Institute, Agharkar road, Pune 411004 (India); Patil, K.R. [Center for Materials Characterization, National Chemical Laboratories, Pune 411008 (India); Sathe, V.G. [UGC DAE Inter University Consortium, Indore 452017 (India); Adhi, K.P. [Department of Physics, University of Pune, Pune 411007 (India); Gosavi, S.W., E-mail: swg@physics.unipune.ac.in [Department of Physics, University of Pune, Pune 411007 (India)

    2014-09-30

    Graphical abstract: - Highlights: • Use of KrF Laser micromachining for Lab-On-Chip applications at lower fluence. • Addition of Benzophenone in PDMS enhances its self development sensitivity. • Benzophenone helps efficient energy transfer for equal density of bond scissioning. • Correlation of chemical composition with laser dose and microstructure. • Microstructures with well defined clean sidewalls. - Abstract: This paper discusses microfabrication process for benzophenone doped polydimethylsiloxane (PDMS) using laser lithography. KrF excimer laser of 248 nm with 20 ns pulse width at repetition rate of 1 Hz was used for microfabrication of undoped and benzophenone doped PDMS. The doped-PDMS shows sensitivity below 365 nm, permitting processing under ambient light. The analysis of etch depth revealed that doped PDMS shows self developable sensitivity at lower fluence of ∼250 mJ/cm{sup 2}. The unexposed and exposed surface was studied using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and Scanning electron microscopy (SEM). Spectrocopic analysis indicated increase in C-O, C=O, Si-O{sub 3} and Si-O{sub 4} bonding at the expense of Si-C and Si-O{sub 2} bonds of PDMS. In case of laser exposed doped-PDMS, removal of benzophenone from probe depth of spectroscopy was observed. Whereas the surface morphology of exposed and unexposed doped-PDMS was observed to be same, indicating clean development of PDMS micropatterns. The present study indicates that addition of 3.0 wt.% benzophenone in PDMS enhance self development sensitivity of PDMS. The self developable results on doped-PDMS are quite encouraging for its potential use in point of care Lab-On-Chip applications, for fabricating micropatterns using direct write laser lithography technology.

  20. Surface studies on benzophenone doped PDMS microstructures fabricated using KrF excimer laser direct write lithography

    International Nuclear Information System (INIS)

    Kant, Madhushree Bute; Shinde, Shashikant D.; Bodas, Dhananjay; Patil, K.R.; Sathe, V.G.; Adhi, K.P.; Gosavi, S.W.

    2014-01-01

    Graphical abstract: - Highlights: • Use of KrF Laser micromachining for Lab-On-Chip applications at lower fluence. • Addition of Benzophenone in PDMS enhances its self development sensitivity. • Benzophenone helps efficient energy transfer for equal density of bond scissioning. • Correlation of chemical composition with laser dose and microstructure. • Microstructures with well defined clean sidewalls. - Abstract: This paper discusses microfabrication process for benzophenone doped polydimethylsiloxane (PDMS) using laser lithography. KrF excimer laser of 248 nm with 20 ns pulse width at repetition rate of 1 Hz was used for microfabrication of undoped and benzophenone doped PDMS. The doped-PDMS shows sensitivity below 365 nm, permitting processing under ambient light. The analysis of etch depth revealed that doped PDMS shows self developable sensitivity at lower fluence of ∼250 mJ/cm 2 . The unexposed and exposed surface was studied using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and Scanning electron microscopy (SEM). Spectrocopic analysis indicated increase in C-O, C=O, Si-O 3 and Si-O 4 bonding at the expense of Si-C and Si-O 2 bonds of PDMS. In case of laser exposed doped-PDMS, removal of benzophenone from probe depth of spectroscopy was observed. Whereas the surface morphology of exposed and unexposed doped-PDMS was observed to be same, indicating clean development of PDMS micropatterns. The present study indicates that addition of 3.0 wt.% benzophenone in PDMS enhance self development sensitivity of PDMS. The self developable results on doped-PDMS are quite encouraging for its potential use in point of care Lab-On-Chip applications, for fabricating micropatterns using direct write laser lithography technology

  1. Solid-state diffusion as an efficient doping method for silicon nanowires and nanowire field effect transistors

    International Nuclear Information System (INIS)

    Moselund, K E; Ghoneim, H; Schmid, H; Bjoerk, M T; Loertscher, E; Karg, S; Signorello, G; Webb, D; Tschudy, M; Beyeler, R; Riel, H

    2010-01-01

    In this work we investigate doping by solid-state diffusion from a doped oxide layer, obtained by plasma-enhanced chemical vapor deposition (PECVD), as a means for selectively doping silicon nanowires (NWs). We demonstrate both n-type (phosphorous) and p-type (boron) doping up to concentrations of 10 20 cm -3 , and find that this doping mechanism is more efficient for NWs as opposed to planar substrates. We observe no diameter dependence in the range of 25 to 80 nm, which signifies that the NWs are uniformly doped. The drive-in temperature (800-950 deg. C) can be used to adjust the actual doping concentration in the range 2 x 10 18 to 10 20 cm -3 . Furthermore, we have fabricated NMOS and PMOS devices to show the versatility of this approach and the possibility of achieving segmented doping of NWs. The devices show high I on /I off ratios of around 10 7 and, especially for the PMOS, good saturation behavior and low hysteresis.

  2. Ground state depletion – A step towards mid-IR lasing of doped silver halides

    Energy Technology Data Exchange (ETDEWEB)

    Tsur, Yuval, E-mail: yuvaltsu@post.tau.ac.il [Raymond and Beverly Sackler Faculty of Exact Sciences, Tel-Aviv University, Tel-Aviv 6997801 (Israel); Goldring, Sharone [Applied Physics Division, Soreq NRC, Yavne 81800 (Israel); Galun, Ehud [DDR& D, Ministry of Defense (Israel); Katzir, Abraham [Raymond and Beverly Sackler Faculty of Exact Sciences, Tel-Aviv University, Tel-Aviv 6997801 (Israel)

    2016-07-15

    We show for the first time ground state absorption saturation in a doped silver halide crystal (AgCl{sub x}Br{sub 1−x}), specifically with cobalt. Spectroscopic studies showed absorption bands in the 1.4–2.5 μm region and emission bands in the 3.8–5.0 μm region, with a 1.5 ms lifetime at low temperatures. Absorption saturation indicates a good low and room temperature lasing feasibility at 4.1 μm. In addition, a comparison of cobalt, nickel and iron as dopants is presented. These doped silver halide crystals can be extruded to form optical fibers, possibly introducing a new family of fiber lasers for the middle infrared.

  3. Effect of impurity correlation on the density of states in slightly compensated heavily doped semiconductors

    International Nuclear Information System (INIS)

    Doan Nhat Quang; Nguyen Nhu Dat; Dinh Van An

    1993-07-01

    A theory is developed of the electron density of states (DOS) in slightly compensated heavily doped semiconductors which undergo a thermal treatment. The calculation is carried out within the semiclassical approach to the random impurity field, taking adequately into account high-temperature correlation among the impurities and low temperature screening due to the free carriers as well. Then, a simple analytic expression for the DOS is obtained which exhibits the same energy dependence as in the case of a random impurity distribution, but now with some correlation-induced changes in the coefficients. A numerical estimation on non-compensated n-type sample of GaAs at a doping level of 5 x 10 18 cm -3 shows that in the tail region the correlated DOS turns out to be somewhat larger and cut less sharply than the random one. (author). 45 refs, 2 figs, 1 tab

  4. Adsorption and diffusion of fluorine on Cr-doped Ni(111) surface: Fluorine-induced initial corrosion of non-passivated Ni-based alloy

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Cui-Lan, E-mail: rencuilan@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Han, Han [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Gong, Wen-Bin [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, Shanghai 215123 (China); Wang, Cheng-Bin; Zhang, Wei [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Cheng, Cheng [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Zhu, Zhi-Yuan [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China)

    2016-09-15

    Adsorption and diffusion behaviors of fluorine on Cr-doped Ni(111) surface are investigated by using first-principles simulation. It shows that the Cr in the Cr-doped Ni(111) surface serve a trap site for fluorine with adsorption energy 3.52 eV, which is 1.04 eV higher than that on Ni(111) surface. Moreover, the Cr atom is pulled out the surface for 0.41 Å after the fluorine adsorption, much higher than that on Ni(111) surface. Further diffusion behaviors analysis confirms the conclusion because the fluorine diffusion from neighbored sites onto the Cr top site is an energy barrierless process. Detailed electronic structure analysis shows that a deeper hybrid state of F 2 p-Cr 3 d indicates a strong F−Cr interaction. The Ni−Cr bond is elongated and weakened due to the new formed F−Cr bonding. Our results help to understanding the basic fluorine-induced initial corrosion mechanism for Ni-based alloy in molten salt environment.

  5. Investigation of Influence of Surface Nanoparticle on Emission Properties of Scandia-Doped Dispenser Cathodes

    Science.gov (United States)

    Zhang, Xizhu; Wang, Jinshu; Wang, Yiman; Liu, Wei; Zhou, Meiling; Gao, Zhiyuan

    2013-06-01

    The microstructure of a fully activated scandia doped dispenser (SDD) cathode has been studied by scanning electron microscope (SEM). The observation results display that nanoparticles appear at the growth steps and the surface of tungsten grains of the fully activated SDD cathode. To study the influence of the nanoparticles on the emission, the local electric field strengths around the nanoparticles have been calculated by Maxwell 2D code and Comsol. The calculation results show that the local electric field strengths are enhanced by 1.1 to 3.8 times to average value based on different model conditions. The highest field strength is about 1.54 × 105 V/cm at an average field strength of 40 KV/cm, which is related to a space-charge limited (SCL) current density of 100 A/cm2 in the experimental configuration. This implies the field strength is not high enough to cause field emission.

  6. Tailored Formation of N-Doped Nanoarchitectures by Diffusion-Controlled on-Surface (Cyclo)-Dehydrogenation of Heteroaromatics

    Czech Academy of Sciences Publication Activity Database

    Pinardi, A. L.; Otero-Irurueta, G.; Palacio, I.; Martinez, J. I.; Sánchez-Sánchez, C.; Tello, M.; Rogero, C.; Cossaro, A.; Preobrajenski, A.; Gomez-Lor, B.; Jančařík, Andrej; Stará, Irena G.; Starý, Ivo; Lopez, M. F.; Méndez, J.; Martin-Gago, J. A.

    2013-01-01

    Roč. 7, č. 4 (2013), s. 3676-3684 ISSN 1936-0851 R&D Projects: GA ČR(CZ) GAP207/10/2207 Institutional support: RVO:61388963 Keywords : surface-assisted dehydrogenation * dibenzo[5]helicene * N-doped nanographene * heteroaromatic polymer Subject RIV: CC - Organic Chemistry Impact factor: 12.033, year: 2013

  7. Formation of polar surfaces in microstructured ZnO by doping with Cu and applications in photocatalysis using visible light

    International Nuclear Information System (INIS)

    Pawar, Rajendra C.; Choi, Da-Hyun; Lee, Jai-Sung; Lee, Caroline S.

    2015-01-01

    We report the synthesis of copper-doped zinc oxide microstructures with a large amount of polar surfaces using a single-step facile chemical method by collecting powders of zinc oxide (ZnO) microstructures. It was found that rod-like morphology of ZnO transformed into disk and sphere-like structure with nanosheets. Hollow disk-like structures were formed due to the surface etching properties of Cl − ions in the copper chloride precursor. The photocatalytic degradation of methylene blue (MB) and rhodamine B (RhB) dyes was measured under irradiation with visible light using the structures as catalysts. The Cu-doped ZnO exhibited better photodegradation properties than did undoped ZnO. The enhanced performance is attributed to the existence of (001) polar surfaces, oxygen vacancies, and increased optical absorbance at visible wavelengths, which is consistent with the field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), room temperature photoluminescence (PL), and optical absorbance measurements. These favorable photocatalytic properties of the doped microstructures demonstrate their potential for use in wastewater treatment. - Graphical abstract: Graphical abstract shows the electron transfer mechanism under visible light for Cu-doped ZnO microstructures and the photocatalytic degradation of dye. - Highlights: • Cu induced microstructures of ZnO with polar surfaces. • Methylene blue degradation under visible light irradiation. • Room temperature ferromagnetism due to oxygen vacancies in ZnO. • 7% Cu–ZnO has highest photocatalytic activity

  8. Search for a metallic dangling-bond wire on n-doped H-passivated semiconductor surfaces

    DEFF Research Database (Denmark)

    Engelund, Mads; Papior, Nick Rübner; Brandimarte, Pedro

    2016-01-01

    We have theoretically investigated the electronic properties of neutral and n-doped dangling bond (DB) quasi-one-dimensional structures (lines) in the Si(001):H and Ge(001):H substrates with the aim of identifying atomic-scale interconnects exhibiting metallic conduction for use in on-surface cir...

  9. The influence of carrier density and doping type on lithium insertion and extraction processes at silicon surfaces

    International Nuclear Information System (INIS)

    McSweeney, W.; Lotty, O.; Glynn, C.; Geaney, H.; Holmes, J.D.; O’Dwyer, C.

    2014-01-01

    The Li + insertion and extraction characteristics at n-type and p-type Si(100) electrodes with different carrier density and doping type are investigated by cyclic voltammetry and constant current measurements. The insertion and extraction potentials are demonstrated to vary with cycling and the occurrence of an activation effect is shown in n-type electrodes where the charge capacity and voltammetric currents are found to be much higher than p-type electrodes. A rate-dependent redox process influenced by the surface region electronic density, which influences the magnitude of cyclic voltammetry current is found at Si(100) surface regions during Li insertion and extraction. At p-type Si(100) surface regions, a thin, uniform film forms at lower currents, while also showing a consistently high (>70%) Coulombic efficiency for Li extraction. The p-type Si(100) surface region does not undergo crack formation after deintercalation and the amorphization was demonstrated using transmission electron microscopy (TEM). X-ray photoelectron spectroscopy (XPS) and Raman scattering demonstrate that highly doped n-type Si(100) retains Li as a silicide and converts to an amorphous phase as a two-step phase conversion process. The findings show the succinct dependence of Li insertion and extraction processes for uniformly doped Si(100) single crystals and how the doping type and its effect on the semiconductor-solution interface dominate Li insertion and extraction, composition, crystallinity changes and charge capacity

  10. The influence of p-doping on two-state lasing in InAs/InGaAs quantum dot lasers

    Science.gov (United States)

    Maximov, M. V.; Shernyakov, Yu M.; Zubov, F. I.; Zhukov, A. E.; Gordeev, N. Yu; Korenev, V. V.; Savelyev, A. V.; Livshits, D. A.

    2013-10-01

    Two-state lasing in devices based on undoped and p-type modulation-doped InAs/InGaAs quantum dots is studied for various cavity lengths and temperatures. Modulation doping of the active region strongly enhances the threshold current of two-state lasing, preserves ground-state lasing up to higher temperatures and increases ground-state output power. The impact of modulation doping is especially strong in short cavities.

  11. The influence of p-doping on two-state lasing in InAs/InGaAs quantum dot lasers

    International Nuclear Information System (INIS)

    Maximov, M V; Shernyakov, Yu M; Zhukov, A E; Gordeev, N Yu; Zubov, F I; Korenev, V V; Savelyev, A V; Livshits, D A

    2013-01-01

    Two-state lasing in devices based on undoped and p-type modulation-doped InAs/InGaAs quantum dots is studied for various cavity lengths and temperatures. Modulation doping of the active region strongly enhances the threshold current of two-state lasing, preserves ground-state lasing up to higher temperatures and increases ground-state output power. The impact of modulation doping is especially strong in short cavities. (paper)

  12. Ion bombardment effect on surface state of metal

    International Nuclear Information System (INIS)

    Vaulin, E.P.; Georgieva, N.E.; Martynenko, T.P.

    1990-01-01

    The effect of slow argon ion bombardment on the surface microstructure of polycrystalline copper as well as the effect of surface state on sputtering of D-16 polycrystalline alloy are experimentally studied. Reduction of copper surface roughness is observed. It is shown that the D-16 alloy sputtering coefficient is sensitive to the surface state within the limits of the destructed surface layer

  13. Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics

    Science.gov (United States)

    Wang, Z. F.; Liu, Feng

    2015-07-01

    Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1 /3 monolayer halogen coverage. The s p3 dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (˜106 m /s ) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

  14. Gigantic 2D laser-induced photovoltaic effect in magnetically doped topological insulators for surface zero-bias spin-polarized current generation

    Science.gov (United States)

    Shikin, A. M.; Voroshin, V. Yu; Rybkin, A. G.; Kokh, K. A.; Tereshchenko, O. E.; Ishida, Y.; Kimura, A.

    2018-01-01

    A new kind of 2D photovoltaic effect (PVE) with the generation of anomalously large surface photovoltage up to 210 meV in magnetically doped topological insulators (TIs) has been studied by the laser time-resolved pump-probe angle-resolved photoelectron spectroscopy. The PVE has maximal efficiency for TIs with high occupation of the upper Dirac cone (DC) states and the Dirac point located inside the fundamental energy gap. For TIs with low occupation of the upper DC states and the Dirac point located inside the valence band the generated surface photovoltage is significantly reduced. We have shown that the observed giant PVE is related to the laser-generated electron-hole asymmetry followed by accumulation of the photoexcited electrons at the surface. It is accompanied by the 2D relaxation process with the generation of zero-bias spin-polarized currents flowing along the topological surface states (TSSs) outside the laser beam spot. As a result, the spin-polarized current generates an effective in-plane magnetic field that is experimentally confirmed by the k II-shift of the DC relative to the bottom non-spin-polarized conduction band states. The realized 2D PVE can be considered as a source for the generation of zero-bias surface spin-polarized currents and the laser-induced local surface magnetization developed in such kind 2D TSS materials.

  15. The effects of antimony doping on the surface structure of rutile TiO{sub 2}(110)

    Energy Technology Data Exchange (ETDEWEB)

    Bechstein, Ralf; Schuette, Jens; Kuehnle, Angelika [Fachbereich Physik, Universitaet Osnabrueck, Barbarastrasse 7, D-49076 Osnabrueck (Germany); Kitta, Mitsunori; Onishi, Hiroshi [Department of Chemistry, Kobe University, Rokko-dai, Nada-ku, Kobe 657-8501 (Japan)], E-mail: kuehnle@uos.de

    2009-07-01

    Titanium dioxide represents a very important wide bandgap photocatalyst that is known to be sensitized to visible light by transition metal doping. Antimony doping has been demonstrated to provide photocatalytic activity when codoped with chromium at an optimum dopant ratio [Sb]/[Cr] of about 1.5. Here, the role of antimony doping on the surface structure of rutile TiO{sub 2}(110) is studied using non-contact atomic force microscopy (NC-AFM) under ultra-high vacuum conditions. At first glance, the surface structure of antimony-doped TiO{sub 2}(110) resembles the structure of pristine TiO{sub 2}(110). However, in contrast to what is found in pristine TiO{sub 2}(110), a dense layer of protruding features is observed upon antimony doping, which is tentatively ascribed to antimony-rich clusters. Moreover, homogeneously distributed holes are found on the surface, which differ in depth and shape depending on the preparation conditions. Holes with depths ranging from a few up to more than a hundred monatomic steps are observed. These holes are explained by surface segregation of antimony during annealing, as the ionic radius of Sb{sup 3+} is considerably larger than the ionic radius of Ti{sup 4+}. Our finding provides an indication of why an antimony concentration larger than the optimum ratio results in decreased photocatalytic activity. Moreover, controlling annealing temperature seems to constitute a promising strategy for creating nanosized holes on TiO{sub 2} surfaces.

  16. Imaging Localized Energy States in Silicon-doped InGaN Nanowires Using 4D Electron Microscopy

    KAUST Repository

    Bose, Riya

    2018-01-23

    Introducing dopants into InGaN NWs is known to significantly improve their device performances through a variety of mechanisms. However, to further optimize device operation under the influence of large specific surfaces, a thorough knowledge of ultrafast dynamical processes at the surface and interface of these NWs is imperative. Here, we describe the development of four-dimensional scanning ultrafast electron microscopy (4D S-UEM) as an extremely surface-sensitive method to directly visualize in space and time the enormous impact of silicon doping on the surface-carrier dynamics of InGaN NWs. Two time regime dynamics are identified for the first time in a 4D S-UEM experiment: an early time behavior (within 200 picoseconds) associated with the deferred evolution of secondary electrons due to the presence of localized trap states that decrease the electron escape rate and a longer timescale behavior (several ns) marked by accelerated charge carrier recombination. The results are further corroborated by conductivity studies carried out in dark and under illumination.

  17. Imaging Localized Energy States in Silicon-doped InGaN Nanowires Using 4D Electron Microscopy

    KAUST Repository

    Bose, Riya; Adhikari, Aniruddha; Burlakov, Victor M; Liu, Guangyu; Haque, Mohammed; Priante, Davide; Hedhili, Mohamed N.; Wehbe, Nimer; Zhao, Chao; Yang, Haoze; Ng, Tien Khee; Goriely, Alain; Bakr, Osman; Wu, Tao; Ooi, Boon S.; Mohammed, Omar F.

    2018-01-01

    Introducing dopants into InGaN NWs is known to significantly improve their device performances through a variety of mechanisms. However, to further optimize device operation under the influence of large specific surfaces, a thorough knowledge of ultrafast dynamical processes at the surface and interface of these NWs is imperative. Here, we describe the development of four-dimensional scanning ultrafast electron microscopy (4D S-UEM) as an extremely surface-sensitive method to directly visualize in space and time the enormous impact of silicon doping on the surface-carrier dynamics of InGaN NWs. Two time regime dynamics are identified for the first time in a 4D S-UEM experiment: an early time behavior (within 200 picoseconds) associated with the deferred evolution of secondary electrons due to the presence of localized trap states that decrease the electron escape rate and a longer timescale behavior (several ns) marked by accelerated charge carrier recombination. The results are further corroborated by conductivity studies carried out in dark and under illumination.

  18. Fabrication of 3D heteroatom-doped porous carbons from self-assembly of chelate foams via a solid state method

    KAUST Repository

    Wang, Yu; Pan, Ying; Zhu, Liangkui; Guo, Ningning; Wang, Runwei; Zhang, Zongtao; Qiu, Shilun

    2018-01-01

    A novel 3D foam-like porous carbon architectures with homogeneous N doping and unique mesopore-in-macropore structures have been fabricated from metal-organic complex via a facile template-free solid state method, which show high specific surface area (2732 m2 g-1), large pore volume (3.31 cm3 g-1), interconnected hierarchical pore structures with macro/meso/micro multimodal distribution and abundant surface functionality N doping (5.36 wt%). These characteristics afford high catalytic performance for oxygen reduction with an onset potential of 0.98 V (vs RHE) and a half-wave potential of 0.83 V (vs RHE) in alkaline media, which are comparable with those of the commercial 20 wt% Pt/C catalyst and many state-of-the-art noble-metal-free catalysts. These results demonstrate the significant advantages of the unique mesopore-in-macropore porous structures with efficient heteroatom doping, which provides abundant of accessible active sites for highly mass and charge transports. The present work pave a new facile and environmentally benign synthesis strategy for the preparation of 3D porous carbon architectures as efficient electrochemical energy devices and give deep insights into fabricating advanced nanostructured materials.

  19. Fabrication of 3D heteroatom-doped porous carbons from self-assembly of chelate foams via a solid state method

    KAUST Repository

    Wang, Yu

    2018-01-09

    A novel 3D foam-like porous carbon architectures with homogeneous N doping and unique mesopore-in-macropore structures have been fabricated from metal-organic complex via a facile template-free solid state method, which show high specific surface area (2732 m2 g-1), large pore volume (3.31 cm3 g-1), interconnected hierarchical pore structures with macro/meso/micro multimodal distribution and abundant surface functionality N doping (5.36 wt%). These characteristics afford high catalytic performance for oxygen reduction with an onset potential of 0.98 V (vs RHE) and a half-wave potential of 0.83 V (vs RHE) in alkaline media, which are comparable with those of the commercial 20 wt% Pt/C catalyst and many state-of-the-art noble-metal-free catalysts. These results demonstrate the significant advantages of the unique mesopore-in-macropore porous structures with efficient heteroatom doping, which provides abundant of accessible active sites for highly mass and charge transports. The present work pave a new facile and environmentally benign synthesis strategy for the preparation of 3D porous carbon architectures as efficient electrochemical energy devices and give deep insights into fabricating advanced nanostructured materials.

  20. Solid-state reaction synthesis and aqueous durability of Ce-doped zirconolite-rich ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Guanjun [State Key Laboratory Cultivation Base for Nonmetal Composite and Functional Materials, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China); Zhang, Kuibao, E-mail: xiaobao320@163.com [State Key Laboratory Cultivation Base for Nonmetal Composite and Functional Materials, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China); Yin, Dan [State Key Laboratory Cultivation Base for Nonmetal Composite and Functional Materials, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China); Zhang, Haibin, E-mail: hbzhang@imr.ac.cn [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China)

    2015-11-15

    In this study, Ce-doped zirconolite-rich ceramics were prepared by solid-state reaction process using cerium as the surrogate of tetravalence actinide nuclide. The occupancy of Ce in the waste forms was investigated. The aqueous durability of Ce-doped zirconolite-rich ceramic was examined as well. The results show that zirconolite and pseudobrookite coexisted after being sintered at 1200 °C for 6 h. Meanwhile, perovskite is inevitable generated during the process. CeO{sub 2} can be successfully incorporated into the lattice structure of the zirconolite-rich ceramics. The maximum containing capacity of CeO{sub 2} is up to 14.95 wt% or y = 0.4. The normalized elemental leaching rates of Ce and Ca are fairly constant in low values of 1.2 × 10{sup −6} and 2.3 × 10{sup −2} g m{sup −2} d{sup −1} after 28 days. The normalized leaching rate of Fe is also in a low value of 2.9 × 10{sup −4} g m{sup −2} d{sup −1} after 7 days. - Highlights: • Ce-doped zirconolite-rich ceramic was produced at 1200 °C. • Pseudobrookite-type Fe{sub 2}TiO{sub 5} was employed to incorporate Fe element. • Ce{sup 3+} and Ce{sup 4+} coexisted in the Ce-doped zirconolite-rich waste form after being sintered at 1200 °C for 6 h. • The leaching rate of Ca was relatively higher than that of borosilicate glasses.

  1. Some aspects of hydrogen plasma treatment of anti-modulation doped near surface GaAs/AlGaAs single quantum well structures

    International Nuclear Information System (INIS)

    Bumai, Yu.A.; Gobsch, G.; Goldhahn, R.; Stein, N.; Golombek, A.; Nakov, V.; Cheng, T.S.

    1999-01-01

    The MBE grown anti-modulation doped GaAs/AlGaAs structures with near surface single quantum wells were exposed to a DC hydrogen plasma (∼400 eV) and investigated using PL, PLE and PR spectroscopy at 5 K. Strong acceptor related free to bound transition (FB) dominates for quantum well related PL but excitonic features are still observed in PLE spectra. After hydrogen plasma treatment the PL intensity of FB transition from quantum well was strongly increased for above AlGaAs band gap excitation and was unchanged for below AlGaAs one. These results are consistent with atomic hydrogen passivation of deep defects in AlGaAs barriers. At the same time radiative excitonic recombination was quenched by hydrogenation. PLE and PR spectra indicate on a strong increase of electric field in subsurface region of the structure after hydrogenation. The increase of electric field in anti-modulation doped structure after hydrogen plasma treatment is supposed to be due to passivation by atomic hydrogen of surface states that leads to unpinning of Fermi level from mid gap to carbon acceptor level position in GaAs cap layer. It causes the further band bending and surface electric field increase that strongly suppress excitonic recombination in near surface quantum wells

  2. Structural, optical, and magnetic properties of polycrystalline Co-doped TiO2 synthesized by solid-state method

    International Nuclear Information System (INIS)

    Bouaine, Abdelhamid; Schmerber, G.; Ihiawakrim, D.; Derory, A.

    2012-01-01

    Highlights: ► Influence of Co doping on the TiO 2 tetragonal structure. ► Decrease of the energy band gap after doping with Co atoms. ► Appearance of ferromagnetism in Co-doped TiO 2 diluted magnetic semiconductors. - Abstract: We have used a solid-state method to synthesize polycrystalline Co-doped TiO 2 diluted magnetic semiconductors (DMSs) with Co concentrations of 0, and 0.5 at.%. X-ray diffraction patterns reveal that Co doped TiO 2 crystallizes in the rutile tetragonal structure with no additional peaks. Transmission electron microscopy (TEM) did not indicate the presence of magnetic parasitic phases and confirmed that Co ions are uniformly distributed inside the samples. Optical absorbance measurements showed an energy band gap which decreases after doping with the Co atoms into the TiO 2 matrix. Magnetization measurements revealed a paramagnetic behavior for the as-prepared Co-doped TiO 2 and a ferromagnetic behavior for the same samples after annealed under a mixture of H 2 /N 2 atmosphere.

  3. Narrow in-gap states in doped Al2O3

    KAUST Repository

    Casas-Cabanas, Montse

    2011-10-01

    Based on XRD data testifying that the M ions occupy substitutional sites, transmittance measurement are discussed in comparison to electronic structure calculations for M-doped Al2O3 with M = V, Mn, and Cr. The M 3d states are found approximatively 2 eV above the top of the host valence band. The fundamental band gap of Al2O3 is further reduced in the V and Mn cases due to a splitting of the narrow band at the Fermi energy. Nevertheless the measured transmittance in the visible range remains high in all three cases. © 2011 Elsevier B.V. All rights reserved.

  4. Narrow in-gap states in doped Al2O3

    KAUST Repository

    Casas-Cabanas, Montse; Fré sard, Marion; Lü ders, Ulrike; Fré sard, Raymond; Schuster, Cosima B.; Schwingenschlö gl, Udo

    2011-01-01

    Based on XRD data testifying that the M ions occupy substitutional sites, transmittance measurement are discussed in comparison to electronic structure calculations for M-doped Al2O3 with M = V, Mn, and Cr. The M 3d states are found approximatively 2 eV above the top of the host valence band. The fundamental band gap of Al2O3 is further reduced in the V and Mn cases due to a splitting of the narrow band at the Fermi energy. Nevertheless the measured transmittance in the visible range remains high in all three cases. © 2011 Elsevier B.V. All rights reserved.

  5. Parabens abatement from surface waters by electrochemical advanced oxidation with boron doped diamond anodes.

    Science.gov (United States)

    Domínguez, Joaquín R; Muñoz-Peña, Maria J; González, Teresa; Palo, Patricia; Cuerda-Correa, Eduardo M

    2016-10-01

    The removal efficiency of four commonly-used parabens by electrochemical advanced oxidation with boron-doped diamond anodes in two different aqueous matrices, namely ultrapure water and surface water from the Guadiana River, has been analyzed. Response surface methodology and a factorial, composite, central, orthogonal, and rotatable (FCCOR) statistical design of experiments have been used to optimize the process. The experimental results clearly show that the initial concentration of pollutants is the factor that influences the removal efficiency in a more remarkable manner in both aqueous matrices. As a rule, as the initial concentration of parabens increases, the removal efficiency decreases. The current density also affects the removal efficiency in a statistically significant manner in both aqueous matrices. In the water river aqueous matrix, a noticeable synergistic effect on the removal efficiency has been observed, probably due to the presence of chloride ions that increase the conductivity of the solution and contribute to the generation of strong secondary oxidant species such as chlorine or HClO/ClO - . The use of a statistical design of experiments made it possible to determine the optimal conditions necessary to achieve total removal of the four parabens in ultrapure and river water aqueous matrices.

  6. First-principles study of hydrogen dissociation and diffusion on transition metal-doped Mg(0 0 0 1) surfaces

    International Nuclear Information System (INIS)

    Wang, Zhiwen; Guo, Xinjun; Wu, Mingyi; Sun, Qiang; Jia, Yu

    2014-01-01

    First-principles calculations within the density functional theory (DFT) have been carried out to study hydrogen molecules dissociation and diffusion on clean and transition metals (TMs) doped Mg(0 0 0 1) surfaces following Pozzo et al. work. Firstly, the stability of Mg(0 0 0 1) surface doped with transition metals atom has been studied. The results showed that transition metals on the left of the table tend to substitute Mg in the second layer, while the other transition metals prefer to substitute Mg in the first layer. Secondly, we studied hydrogen molecules dissociation and diffusion on clean and Mg(0 0 0 1) surfaces which the transition metal atoms substituted both in the first layer and second layer. When transition metal atoms substitute in the first layer, the results agree with the Pozzo et al. result; when transition metal atoms substitute in the second layer, the results showed that the transition metals on the left of the periodic table impact on the dissociation barriers is less. However, for the transition metals (Mn, Fe, Co, Ni) on the right, there is a great impact on the barriers. The transition metals doped surfaces bind the dissociated H atoms loosely, making them easily diffused. The results further reveal that the Fe dopant on the Mg surface is the best choice for H 2 dissociation and hydrogen storage.

  7. Enhanced surface transfer doping of diamond by V{sub 2}O{sub 5} with improved thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Crawford, Kevin G., E-mail: k.crawford.2@research.gla.ac.uk; Moran, David A. J. [School of Engineering, University of Glasgow, Glasgow G12 8LT (United Kingdom); Cao, Liang [High Magnetic Field Laboratory, Chinese Academy of Sciences, 350 Shushanhu Road, Hefei 230031, Anhui (China); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore, Singapore 117542 (Singapore); Qi, Dongchen, E-mail: d.qi@latrobe.edu.au [Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria 3086 (Australia); Tallaire, Alexandre [LSPM-CNRS, Université Paris 13, Villetaneuse 93430 (France); Limiti, E.; Verona, C. [Department of Industrial Engineering, “Tor Vergata” University, Rome 00173 (Italy); Wee, Andrew T. S. [Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore, Singapore 117542 (Singapore)

    2016-01-25

    Surface transfer doping of hydrogen-terminated diamond has been achieved utilising V{sub 2}O{sub 5} as a surface electron accepting material. Contact between the oxide and diamond surface promotes the transfer of electrons from the diamond into the V{sub 2}O{sub 5} as revealed by the synchrotron-based high resolution photoemission spectroscopy. Electrical characterization by Hall measurement performed before and after V{sub 2}O{sub 5} deposition shows an increase in hole carrier concentration in the diamond from 3.0 × 10{sup 12} to 1.8 × 10{sup 13 }cm{sup −2} at room temperature. High temperature Hall measurements performed up to 300 °C in atmosphere reveal greatly enhanced thermal stability of the hole channel produced using V{sub 2}O{sub 5} in comparison with an air-induced surface conduction channel. Transfer doping of hydrogen-terminated diamond using high electron affinity oxides such as V{sub 2}O{sub 5} is a promising approach for achieving thermally stable, high performance diamond based devices in comparison with air-induced surface transfer doping.

  8. Surface modification of cadmium sulfide thin film honey comb nanostructures: Effect of in situ tin doping using chemical bath deposition

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, K.C., E-mail: wilsonphy@gmail.com [Department of Physics, Govt. Polytechnic College Kothamangalam, Chelad P O, Ernakulam, Kerala 686681 (India); Department of Physics, B. S. Abdur Rahman University, Vandaloor, Chennai, Tamilnadu 600048 (India); Basheer Ahamed, M. [Department of Physics, B. S. Abdur Rahman University, Vandaloor, Chennai, Tamilnadu 600048 (India)

    2016-01-15

    Graphical abstract: - Highlights: • Novel honey comb like cadmium sulfide thin film nanostructures prepared using chemical bath deposition on glass substrates. • Honey comb nanostructure found in two layers: an ultra thin film at bottom and well inter connected with walls of < 25 nm thick on top; hence maximum surface area possible for CdS nanostructure. • Shell size of the nanostructures and energy band gaps were controlled also an enhanced persistent conductivity observed on Sn doping. - Abstract: Even though nanostructures possess large surface to volume ratio compared to their thin film counterpart, the complicated procedure that demands for the deposition on a substrate kept them back foot in device fabrication techniques. In this work, a honey comb like cadmium sulfide (CdS) thin films nanostructure are deposited on glass substrates using simple chemical bath deposition technique at 65 °C. Energy band gaps, film thickness and shell size of the honey comb nanostructures are successfully controlled using tin (Sn) doping and number of shells per unit area is found to be maximum for 5% Sn doped (in the reaction mixture) sample. X-ray diffraction and optical absorption analysis showed that cadmium sulfide and cadmium hydroxide coexist in the samples. TEM measurements showed that CdS nanostructures are embedded in cadmium hydroxide just like “plum pudding”. Persistent photoconductivity measurements of the samples are also carried out. The decay constants found to be increased with increases in Sn doping.

  9. Synthesis of biocompatible and highly photoluminescent nitrogen doped carbon dots from lime: Analytical applications and optimization using response surface methodology

    Energy Technology Data Exchange (ETDEWEB)

    Barati, Ali [Faculty of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan (Iran, Islamic Republic of); Shamsipur, Mojtaba, E-mail: mshamsipur@yahoo.com [Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of); Arkan, Elham [Nano Drug Delivery Research Center Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of); Hosseinzadeh, Leila [Novel Drug Delivery Research Center, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of); Abdollahi, Hamid, E-mail: abd@iasbs.ac.ir [Faculty of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan (Iran, Islamic Republic of)

    2015-02-01

    Herein, a facile hydrothermal treatment of lime juice to prepare biocompatible nitrogen-doped carbon quantum dots (N-CQDs) in the presence of ammonium bicarbonate as a nitrogen source has been presented. The resulting N-CQDs exhibited excitation and pH independent emission behavior; with the quantum yield (QY) up to 40%, which was several times greater than the corresponding value for CQDs with no added nitrogen source. The N-CQDs were applied as a fluorescent probe for the sensitive and selective detection of Hg{sup 2+} ions with a detection limit of 14 nM. Moreover, the cellular uptake and cytotoxicity of N-CQDs at different concentration ranges from 0.0 to 0.8 mg/ml were investigated by using PC12 cells as a model system. Response surface methodology was used for optimization and systematic investigation of the main variables that influence the QY, including reaction time, reaction temperature, and ammonium bicarbonate weight. - Highlights: • High fluorescent N-doped CQDs from lime juice have been prepared. • Response surface methodology was used to optimize and model the main factors. • N-doped CQDs were used in the selective and sensitive detection of Hg(II). • The biocompatibility of prepared N-doped CQDs was conformed using PC12 cells.

  10. Interfacial Engineered Polyaniline/Sulfur-doped TiO2 Nanotube Arrays for Ultralong Cycle Lifetime Fiber-Shaped, Solid-State Supercapacitors.

    Science.gov (United States)

    Li, Chun; Wang, Zhuanpei; Li, Shengwen; Cheng, Jianli; Zhang, Yanning; Zhou, Jingwen; Yang, Dan; Tong, Dong-Ge; Wang, Bin

    2018-05-04

    Fiber-shaped supercapacitors (FSCs) have great potential in wearable electronics applications. However, the limited specific surface area and inadequate structural stability caused by the weak interfacial interactions of the electrodes result in relatively low specific capacitance and unsatisfactory cycle lifetime. Herein, solid-state FSCs with high energy density and ultralong cycle lifetime based on polyaniline (PANI)/sulfur-doped TiO2 nanotubes array (PANI/S-TiO2) are fabricated by interfacial engineering. The experimental results and ab initio calculations reveal that S doping can effectively promote the conductivity of titania nanotubes and increase the binding energy of PANI anchored on the electrode surface, leading to much stronger binding of PANI on the surface of the electrode and excellent electrode structure stability. As a result, the FSCs using the PANI/S-TiO2 electrodes deliver a high specific capacitance of 91.9 mF cm-2, a capacitance retention of 93.78% after 12,000 charge/discharge cycles, and an areal energy density of 3.2 µWh cm-2, respectively. Meanwhile, the all-solid-state FSC device retains its excellent flexibility and stable electrochemical capacitance even after bending 150 cycles. The enhanced performances of FSCs could be attributed to the large surface area, short ion diffusion path, high electrical conductivity and engineered interfacial interaction of the rationally designed electrodes.

  11. Preparation of silica doped titania nanoparticles with thermal stability and photocatalytic properties and their application for leather surface functionalization

    Directory of Open Access Journals (Sweden)

    Carmen Gaidau

    2017-11-01

    Full Text Available Doped nanoparticles based on titanium dioxide are of interest for their multifunctional properties and enlarged photocatalytic activity in visible domain. Silica doped titanium dioxide nanoparticles were prepared by hydrothermal method and their structural characteristics and photocatalytic activity were determined, in order to be used for leather coating as alternative to halogen based flame retardants and dry cleaning solvents. A range of concentrations from 2% to 20% silica doped titanium dioxide nanoparticles (% denotes the theoretical weight percent of Si was synthesized and characterized by ICP-OES, FT-IR, UV-vis spectroscopy, XRD, HRTEM and DLS. Titanium dioxide network penetration was supported by Si-O-Ti and OH identification in FT-IR spectra mainly on surface of 10% and 20% silica doped titanium dioxide nanoparticles. The increase of Si-O-Ti bonds with Si dopant concentration acts as efficient barriers against sinterization and growth of TiO2 particles and explains the low particle size identified in HRTEM analyses as compared to undoped TiO2NPs. UV-vis diffuse reflectance spectra of doped titanium dioxide nanoparticles showed the shifting of absorption band to visible domain for 10% silica doped titanium dioxide nanoparticles. The crystallite sizes were calculated from XRD spectra, ranging between 16.2 and 18.1 nm. HRTEM measurement of hydrothermally synthesized titanium dioxide nanoparticles showed anatase crystallites in the range of 8.8–27 nm, while in the 20% silica doped titanium dioxide nanoparticle sample smaller crystallite with sizes between 2.7 nm and 3.5 nm was identified due to the constraints of the SiO2-based amorphous matrix. Nano sizes of 64 nm and 72 nm were found in water dispersions of 10% and 20% silica doped titanium dioxide nanoparticles and the Zeta potentials were of −53.6 mV and −52.9 mV, which indicate very good stabilities. The leather surface treated with composites of film forming polymers

  12. Surface damages of polycrystalline W and La2O3-doped W induced by high-flux He plasma irradiation

    Science.gov (United States)

    Liu, Lu; Li, Shouzhe; Liu, Dongping; Benstetter, Günther; Zhang, Yang; Hong, Yi; Fan, Hongyu; Ni, Weiyuan; Yang, Qi; Wu, Yunfeng; Bi, Zhenhua

    2018-04-01

    In this study, polycrystalline tungsten (W) and three oxide dispersed strengthened W with 0.1 vol %, 1.0 vol % and 5.0 vol % lanthanum trioxide (La2O3) were irradiated with low-energy (200 eV) and high-flux (5.8 × 1021 or 1.4 × 1022 ions/m2ṡs) He+ ions at elevated temperature. After He+ irradiation at a fluence of 3.0 × 1025/m2, their surface damages were observed by scanning electron microscopy, energy dispersive spectroscopy, scanning electron microscopy-electron backscatter diffraction, and conductive atomic force microscopy. Micron-sized holes were formed on the surface of W alloys after He+ irradiation at 1100 K. Analysis shows that the La2O3 grains doped in W were sputtered preferentially by the high-flux He+ ions when compared with the W grains. For irradiation at 1550 K, W nano-fuzz was formed at the surfaces of both polycrystalline W and La2O3-doped W. The thickness of the fuzz layers formed at the surface of La2O3-doped W is 40% lower than the one of polycrystalline W. The presence of La2O3 could suppress the diffusion and coalescence of He atoms inside W, which plays an important role in the growth of nanostructures fuzz.

  13. NO and NO{sub 2} adsorption on subsurface doped MgO (100) and BaO (100) surfaces. A density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Añez, Rafael, E-mail: ranez@ivic.gob.ve [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado 21827, Caracas (Venezuela, Bolivarian Republic of); Sierraalta, Aníbal [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado 21827, Caracas (Venezuela, Bolivarian Republic of); Soto, Lenin J. Díaz [Pontifícia Universidade Católica do Rio de Janeiro, Departamento de Física, 22451-900 Rio de Janeiro, RJ (Brazil); Instituto de Química, Universidade Federal do Rio de Janeiro, Cidade Universitária, CT Bloco A sala 412, Rio de Janeiro, RJ 21949-900 (Brazil)

    2017-05-15

    Highlights: • Subsurface doped BaO(100) and MgO(100) surfaces. • NO and NO{sub 2} adsorption on doped BaO(100) and MgO(100) surfaces. • Surface distortion produced by the doped improves the interaction with the surface. • NO and NO{sub 2} adsorption energies displayed good correlation with the transferred charge. - Abstract: A periodic DFT approach was used to study the energetic, electronic and structural changes produced by the V, Fe and Ni sub layer doped of the MgO (100) and BaO (100) surfaces and the effect of these changes over the adsorption of NO and NO{sub 2}. Results indicate that the higher capacity of donating charge of the transition metal atoms improves the ability of the surfaces to transfer charge to the molecules. The charge transferred goes to NO and NO{sub 2} antibonding orbitals which makes them more reactive hence the interaction becomes stronger. A good lineal correlation between the charge transferred and the calculated adsorption energy was found, that is, as the charge transferred increases the adsorption energy increases. The interaction between the NO or NO{sub 2} molecule on doped surfaces not only depends of the charge transferred, surface structural changes produced by the doping with transition metal atoms increase the adsorption energy specially on the BaO (100) surface where the surface structural changes were more noticeable. Calculated stretching frequency of a NO in a η{sup 1} –N configuration indicates that this is the most stable specie found for the adsorption of NO on terraces of the MgO (100) surface around 77 K and that the sub layer Ni doped BaO (100) surface could be a promising material for the decomposition of NO{sub 2}.

  14. Highly conductive Al-doped tetra-needle-like ZnO whiskers prepared by a solid state method

    International Nuclear Information System (INIS)

    Wan Cuifeng; Tan Hairen; Jin Shengming; Yang Huaming; Tang Motang; He Jing

    2008-01-01

    Tetra-needle-like zinc oxide whiskers (T-ZnO W ) were doped with Al 3+ by a solid state method. In this study, modification conditions were thoroughly investigated to obtain low resistivity T-ZnO W , without destroying the tetra-needle-like structure. The Al-doped T-ZnO W was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transition infrared (FT-IR) spectra and electrical resistance measurement. The SEM and XRD results indicated that the tetra-needle-like structure of ZnO whiskers could be well maintained after modification and the doped (0 0 2) face was preferred. FT-IR results showed that the decrease of resistivity of Al-doped T-ZnO W resulted from formation of [AlO 4 ] configuration in T-ZnO W bulk. Experiment results showed that the annealing temperature, doping concentration and type of Al sources affected the resistivity of T-ZnO W considerably. The optimum Al-doped concentration was 7.0 at.% and the resistivity of T-ZnO W could be considerably decreased from 10 8 to 10 2 Ω cm

  15. The nature of dielectric state and self compensation mechanisms in PbTe doped with Ga

    International Nuclear Information System (INIS)

    Petrenko, T L; Bryksa, V P

    2014-01-01

    The long-standing problem of impurity states in narrow-gap PbTe crystals doped with group-III element Ga was analized by means of density functional theory. We focus on the mechanisms of the self-compensation during growth as well as during post-growth annealing to clarify the mechanism of dielectric state formation necessary for the device fabrication. The unique feature of the presented work is consideration of the simplest impurity complex (2Ga) Pb as well as of a lead vacancy V Pb , gallium substituting for Pb site Ga Pb and interstitial gallium Ga int in various charge states. Calculations show that complex (2Ga) Pb has the lowest formation energy among other gallium-related defects and is a double donor. Ga int is a single donor while Ga Pb is amphoteric impurity which act as a donor or acceptor depending on the Fermi level position. Moreover, we conclude that neutral impurity Ga Pb 0 is metastable due to the self-compensation and formation of (2Ga) Pb complex with simultaneous creation of V Pb . Calculated binding energy of this complex suggests that it is stable for the actual temperatures and concentrations. In addition the (2Ga) Pb defect is responsible for spontaneous creation of lead vacancy which prevents an increasing of the carrier concentration. Therefore, the considered complex determines the most striking features of PbTe crystals doped with Ga, namely DX-like properties and dielectric state formation. This defect plays a crucial role in real crystals and clarifies the nature of properties important for device fabrication. (papers)

  16. Surface plasmon enhanced SWIR absorption at the ultra n-doped substrate/PbSe nanostructure layer interface

    Science.gov (United States)

    Wittenberg, Vladimir; Rosenblit, Michael; Sarusi, Gabby

    2017-08-01

    This work presents simulation results of the plasmon enhanced absorption that can be achieved in the short wavelength infrared (SWIR - 1200 nm to 1800 nm) spectral range at the interface between ultra-heavily doped substrates and a PbSe nanostructure non-epitaxial growth absorbing layer. The absorption enhancement simulated in this study is due to surface plasmon polariton (SPP) excitation at the interface between these ultra-heavily n-doped GaAs or GaN substrates, which are nearly semimetals to SWIR light, and an absorption layer made of PbSe nano-spheres or nano-columns. The ultra-heavily doped GaAs or GaN substrates are simulated as examples, based on the Drude-Lorentz permittivity model. In the simulation, the substrates and the absorption layer were patterned jointly to forma blazed lattice, and then were back-illuminated using SWIR with a central wavelength of 1500 nm. The maximal field enhancement achieved was 17.4 with a penetration depth of 40 nm. Thus, such architecture of an ultra-heavily doped semiconductor and infrared absorbing layer can further increase the absorption due to the plasmonic enhanced absorption effect in the SWIR spectral band without the need to use a metallic layer as in the case of visible light.

  17. Steps in growth of Nb-doped layered titanates with very high surface area suitable for water purification

    International Nuclear Information System (INIS)

    Milanović, Marija; Nikolić, Ljubica M.; Stijepović, Ivan; Kontos, Athanassios G.; Giannakopoulos, Konstantinos P.

    2014-01-01

    Nb-doped layered titanates, as highly efficient adsorbents, have been synthesized by hydrothermal reaction for variable duration and at 150 °C in a highly alkaline solution with NbCl 5 as the Nb source. The results have shown the formation of nanosheets already after 1 h of hydrothermal processing, but morphology and phase composition change as the reaction proceeds. The prepared layered titanates have been structurally investigated via scanning and transmission electron microscopy, X-ray diffraction, as well as Raman and Fourier transform infrared spectroscopies. The steps of layered titanate growth have been followed and an intermediate layered anatase phase is identified. Thus optimized growth of mesoporous titanate materials with 10% Nb atomic content present very high specific surface area of 345.3 m 2  g −1 , and perform as very efficient adsorbents for wastewater treatment applications. - Highlights: • Nb-doped layered titanates have been prepared by a hydrothermal procedure. • Introduction of Nb to precursor lowers the rate of layered titanate formation. • Steps in growth of Nb-doped layered titanates are considered. • Nb-doped layered titanates show high/fast MB adsorption from concentrated solution

  18. Structural characteristics of surface-functionalized nitrogen-doped diamond-like carbon films and effective adjustment to cell attachment

    International Nuclear Information System (INIS)

    Liu Ai-Ping; Liu Min; Yu Jian-Can; Qian Guo-Dong; Tang Wei-Hua

    2015-01-01

    Nitrogen-doped diamond-like carbon (DLC:N) films prepared by the filtered cathodic vacuum arc technology are functionalized with various chemical molecules including dopamine (DA), 3-Aminobenzeneboronic acid (APBA), and adenosine triphosphate (ATP), and the impacts of surface functionalities on the surface morphologies, compositions, microstructures, and cell compatibility of the DLC:N films are systematically investigated. We demonstrate that the surface groups of DLC:N have a significant effect on the surface and structural properties of the film. The activity of PC12 cells depends on the particular type of surface functional groups of DLC:N films regardless of surface roughness and wettability. Our research offers a novel way for designing functionalized carbon films as tailorable substrates for biosensors and biomedical engineering applications. (paper)

  19. Structural characteristics of surface-functionalized nitrogen-doped diamond-like carbon films and effective adjustment to cell attachment

    Science.gov (United States)

    Liu, Ai-Ping; Liu, Min; Yu, Jian-Can; Qian, Guo-Dong; Tang, Wei-Hua

    2015-05-01

    Nitrogen-doped diamond-like carbon (DLC:N) films prepared by the filtered cathodic vacuum arc technology are functionalized with various chemical molecules including dopamine (DA), 3-Aminobenzeneboronic acid (APBA), and adenosine triphosphate (ATP), and the impacts of surface functionalities on the surface morphologies, compositions, microstructures, and cell compatibility of the DLC:N films are systematically investigated. We demonstrate that the surface groups of DLC:N have a significant effect on the surface and structural properties of the film. The activity of PC12 cells depends on the particular type of surface functional groups of DLC:N films regardless of surface roughness and wettability. Our research offers a novel way for designing functionalized carbon films as tailorable substrates for biosensors and biomedical engineering applications. Project supported by the National Natural Science Foundation of China (Grant Nos. 51272237, 51272231, and 51010002) and the China Postdoctoral Science Foundation (Grant Nos. 2012M520063, 2013T60587, and Bsh1201016).

  20. Photoluminescence of anti-modulation doped near-surface GaAs/AlGaAs single quantum well structures exposed to hydrogen plasma

    CERN Document Server

    Bumaj, Y A; Goldkhan, R; Shtajn, N; Golombek, A; Nakov, V; Cheng, T S

    2002-01-01

    The anti-modulation Si-doped GaAs/AlGaAs structures with near-surface single quantum wells grown by molecular-beam epitaxy were exposed to hydrogen plasma at 260 deg C and investigated by low-temperature photoluminescence, photoluminescence excitation and photoreflectance spectroscopy. After hydrogenation, the quenching of the exciton luminescence for the below AlGaAs band gap excitation due to the increase of electric field in the structure has been observed. The effect is consistent with unpinning of Fermi level from mid gap of nominally undoped (p-type) GaAs cap layer due to passivation of surface states by hydrogen without neutralization of shallow impurities in the epilayers

  1. Facile Synthesis of Nitrogen Doped Graphene Oxide from Graphite Flakes and Powders: A Comparison of Their Surface Chemistry.

    Science.gov (United States)

    Yokwana, Kholiswa; Ray, Sekhar C; Khenfouch, Mohammad; Kuvarega, Alex T; Mamba, Bhekie B; Mhlanga, Sabelo D; Nxumalo, Edward N

    2018-08-01

    Nitrogen-doped graphene oxide (NGO) nanosheets were prepared via a facile one-pot modified Hummer's approach at low temperatures using graphite powder and flakes as starting materials in the presence of a nitrogen precursor. It was found that the morphology, structure, composition and surface chemistry of the NGO nanosheets depended on the nature of the graphite precursor used. GO nanosheets doped with nitrogen atoms exhibited a unique structure with few thin layers and wrinkled sheets, high porosity and structural defects. NGO sheets made from graphite powder (NGOp) exhibited excellent thermal stability and remarkably high surface area (up to 240.53 m2 ·g-1) compared to NGO sheets made from graphite flakes (NGOf) which degraded at low temperatures and had an average surface area of 24.70 m2 ·g-1. NGOf sheets had a size range of 850 to 2200 nm while NGOp sheets demonstrated obviously small sizes (460-1600 nm) even when exposed to different pH conditions. The NGO nanosheets exhibited negatively charged surfaces in a wide pH range (1 to 12) and were found to be stable above pH 6. In addition, graphite flakes were found to be more suitable for the production of NGO as they produced high N-doping levels (0.65 to 1.29 at.%) compared to graphite powders (0.30 to 0.35 at.%). This study further demonstrates that by adjusting the amount of N source in the host GO, one can tailor its thermal stability, surface morphology, surface chemistry and surface area.

  2. Topological surface states on Bi$_{1-x}$Sb$_x$

    DEFF Research Database (Denmark)

    Zhu, Xie-Gang; Hofmann, Philip

    2014-01-01

    Topological insulators support metallic surface states whose existence is protected by the bulk band structure. It has been predicted early that the topology of the surface state Fermi contour should depend on several factors, such as the surface orientation and termination and this raises the qu...

  3. Synthesis of S/Cr doped mesoporous TiO2 with high-active visible light degradation property via solid state reaction route

    International Nuclear Information System (INIS)

    Liu Shaoyou; Tang Qunli; Feng Qingge

    2011-01-01

    S/Cr doped mesoporous TiO 2 (S-TiO 2 , Cr-TiO 2 , S-Cr-TiO 2 ) were successfully synthesized via a simple, effective and environmental benign solid state reaction route. The low angle XRD patterns demonstrated that the resulting samples possess mesostructures. The further characterizations via N 2 adsorption-desorption and XPS showed that the typical S/Cr co-doped mesoporous TiO 2 (S-Cr-TiO 2 (5S-5Cr)) possesses mesopore with the high specific surface area of 118.4 m 2 /g and narrow pore size distribution, and both S and Cr have been incorporated into the lattice of TiO 2 with the amounts of 4.16% sulfur and 7.88% chromium, respectively. And Raman spectroscopy shows that the surface of S-Cr-TiO 2 (5S-5Cr) material possesses stretching vibrational peaks at ∼709, ∼793 cm -1 are assignable to the Ti-O-Cr, O-Cr (Ti)-OH bonds, respectively. Interestingly, the UV-vis displayed that the absorption regions of S/Cr doped mesoporous TiO 2 cover the visible light region. As for the series of S-Cr-TiO 2 samples, the absorption region even extends to near infrared region with strong adsorption. Moreover, compared with the pure titanium dioxide (P25-TiO 2 ), the photodegradation properties of bromocresol green (BCG) on the S/Cr doped mesoporous TiO 2 showed excellent photocatalytic properties under visible light irradiation. Within 50 min visible light irradiation, 82.6% of the initial BCG was degraded for the S-Cr-TiO 2 (6S-4Cr) photocatalyst.

  4. Nitrogen-doped graphene network supported copper nanoparticles encapsulated with graphene shells for surface-enhanced Raman scattering

    Science.gov (United States)

    Zhang, Xiang; Shi, Chunsheng; Liu, Enzuo; Li, Jiajun; Zhao, Naiqin; He, Chunnian

    2015-10-01

    In this study, we demonstrated nitrogen-doped graphene network supported few-layered graphene shell encapsulated Cu nanoparticles (NPs) (Cu@G-NGNs) as a sensing platform, which were constructed by a simple and scalable in situ chemical vapor deposition (CVD) technique with the assistance of a self-assembled three-dimensional (3D) NaCl template. Compared with pure Cu NPs and graphene decorated Cu NPs, the graphene shells can strengthen the plasmonic coupling between graphene and Cu, thereby contributing to an obvious improvement in the local electromagnetic field that was validated by finite element numerical simulations, while the 3D nitrogen-doped graphene walls with a large surface area facilitated molecule adsorption and the doped nitrogen atoms embedded in the graphene lattice can reduce the surface energy of the system. With these merits, a good surface enhanced Raman spectroscopy (SERS) activity of the 3D Cu@G-NGN painting film on glass was demonstrated using rhodamine 6G and crystal violet as model analytes, exhibiting a satisfactory sensitivity, reproducibility and stability. As far as we know, this is the first report on the in situ synthesis of nitrogen-doped graphene/copper nanocomposites and this facile and low-cost Cu-based strategy tends to be a good supplement to Ag and Au based substrates for SERS applications.In this study, we demonstrated nitrogen-doped graphene network supported few-layered graphene shell encapsulated Cu nanoparticles (NPs) (Cu@G-NGNs) as a sensing platform, which were constructed by a simple and scalable in situ chemical vapor deposition (CVD) technique with the assistance of a self-assembled three-dimensional (3D) NaCl template. Compared with pure Cu NPs and graphene decorated Cu NPs, the graphene shells can strengthen the plasmonic coupling between graphene and Cu, thereby contributing to an obvious improvement in the local electromagnetic field that was validated by finite element numerical simulations, while the 3D nitrogen-doped

  5. Critical Doping for the Onset of Fermi-Surface Reconstruction by Charge-Density-Wave Order in the Cuprate Superconductor La_{2-x}Sr_{x}CuO_{4}

    Directory of Open Access Journals (Sweden)

    S. Badoux

    2016-04-01

    Full Text Available The Seebeck coefficient S of the cuprate superconductor La_{2-x}Sr_{x}CuO_{4} (LSCO was measured in magnetic fields large enough to access the normal state at low temperatures, for a range of Sr concentrations from x=0.07 to x=0.15. For x=0.11, 0.12, 0.125, and 0.13, S/T decreases upon cooling to become negative at low temperatures. The same behavior is observed in the Hall coefficient R_{H}(T. In analogy with other hole-doped cuprates at similar hole concentrations p, the negative S and R_{H} show that the Fermi surface of LSCO undergoes a reconstruction caused by the onset of charge-density-wave modulations. Such modulations have indeed been detected in LSCO by x-ray diffraction in precisely the same doping range. Our data show that in LSCO this Fermi-surface reconstruction is confined to 0.085state of LSCO, charge-density-wave order ends at a critical doping p_{CDW}=0.15±0.005, well below the pseudogap critical doping p^{⋆}≃0.19.

  6. Control of two-dimensional electronic states at anatase Ti O2(001 ) surface by K adsorption

    Science.gov (United States)

    Yukawa, R.; Minohara, M.; Shiga, D.; Kitamura, M.; Mitsuhashi, T.; Kobayashi, M.; Horiba, K.; Kumigashira, H.

    2018-04-01

    The nature of the intriguing metallic electronic structures appearing at the surface of anatase titanium dioxide (a-Ti O2 ) remains to be elucidated, mainly owing to the difficulty of controlling the depth distribution of the oxygen vacancies generated by photoirradiation. In this study, K atoms were adsorbed onto the (001) surface of a-Ti O2 to dope electrons into the a-Ti O2 and to confine the electrons in the surface region. The success of the electron doping and its controllability were confirmed by performing in situ angle-resolved photoemission spectroscopy as well as core-level measurements. Clear subband structures were observed in the surface metallic states, indicating the creation of quasi-two-dimensional electron liquid (q2DEL) states in a controllable fashion. With increasing electron doping (K adsorption), the q2DEL states exhibited crossover from polaronic liquid states with multiple phonon-loss structures originating from the long-range Fröhlich interaction to "weakly correlated metallic" states. In the q2DEL states in the weakly correlated metallic region, a kink due to short-range electron-phonon coupling was clearly observed at about 80 ±10 meV . The characteristic energy is smaller than that previously observed for the metallic states of a-Ti O2 with three-dimensional nature (˜110 meV ) . These results suggest that the dominant electron-phonon coupling is modulated by anisotropic carrier screening in the q2DEL states.

  7. Ni-doping effect of Mg(0 0 0 1) surface to use it as a hydrogen storage material

    International Nuclear Information System (INIS)

    Kuklin, Artem V.; Kuzubov, Alexander A.; Krasnov, Pavel O.; Lykhin, Aleksandr O.; Tikhonova, Lyudmila V.

    2014-01-01

    Highlights: • Magnesium surface interaction with nickel at different it location was investigated. • A possibility of nickel migration on magnesium surface was examined. • A possibility of the nickel atoms to aggregate, producing the cluster was investigated. • A step by step diagram of the cluster formation was calculated and constructed. • The final step was the investigation of a hydrogenation process on the Ni cluster. - Abstract: A detailed study of Ni-doped Mg(0 0 0 1) surface performed by PAW method and the gradient corrected density functional GGA-PBE within the framework of generalized Kohn–Sham density functional theory (DFT) is presented in this work. Structural and electronic properties of magnesium surface interaction with nickel for the purpose of such compounds use for creation of hydrogen storage matrixes were investigated here. Choice of the PBE functional was caused by the good accordance of its prediction of the cell parameters with experimental results. It was shown that Ni atoms prefer to substitute for Mg atoms. Using NEB method, the diffusion barrier was calculated, and the most probable reaction path was established. In particular, when the Ni atom dopes the magnesium surface, it can migrate to the bulk and substitute for Mg in subsurface layers. Also a possibility of nickel cluster formation on clean surface of magnesium was examined. The kinetic factors hinder the movement of the nickel atoms to each other and make problematic the formation of clusters. The studies presented here showed that the diffusion barriers of the nickel atom migration from the cluster on the surface to the bulk of magnesium are 1.179 eV and 1.211 eV for the forward and reverse reactions, respectively. Therefore an improvement of the hydrogenation properties of Ni-doped magnesium surface depends on deposition not of the individual atoms, but their clusters. Hydrogenation of Ni cluster doping the magnesium surface was investigated. Initially Kubas

  8. Nitrogen doped carbon derived from polyimide/multiwall carbon nanotube composites for high performance flexible all-solid-state supercapacitors

    Science.gov (United States)

    Kim, Dae Kyom; Kim, Nam Dong; Park, Seung-Keun; Seong, Kwang-dong; Hwang, Minsik; You, Nam-Ho; Piao, Yuanzhe

    2018-03-01

    Flexible all-solid-state supercapacitors are desirable as potential energy storage systems for wearable technologies. Herein, we synthesize aminophenyl multiwall carbon nanotube (AP-MWCNT) grafted polyimide precursor by in situ polymerization method as a nitrogen-doped carbon precursor. Flexible supercapacitor electrodes are fabricated via a coating of carbon precursor on carbon cloth surface and carbonization at high temperature directly. The as-obtained electrodes, which can be directly used without any binders or additives, can deliver a high specific capacitance of 333.4 F g-1 at 1 A g-1 (based on active material mass) and excellent cycle stability with 103% capacitance retention after 10,000 cycles in a three-electrode system. The flexible all-solid-state supercapacitor device exhibits a high volumetric capacitance of 3.88 F cm-3 at a current density of 0.02 mA cm-3. And also the device can deliver a maximum volumetric energy density of 0.50 mWh cm-3 and presents good cycling stability with 85.3% capacitance retention after 10,000 cycles. This device cell can not only show extraordinary mechanical flexibilities allowing folding, twisting, and rolling but also demonstrate remarkable stable electrochemical performances under their forms. This work provides a novel approach to obtain carbon textile-based flexible supercapacitors with high electrochemical performance and mechanical flexibility.

  9. Natively textured surface hydrogenated gallium-doped zinc oxide transparent conductive thin films with buffer layers for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xin-liang, E-mail: cxlruzhou@163.com; Wang, Fei; Geng, Xin-hua; Huang, Qian; Zhao, Ying; Zhang, Xiao-dan

    2013-09-02

    Natively textured surface hydrogenated gallium-doped zinc oxide (HGZO) thin films have been deposited via magnetron sputtering on glass substrates. These natively textured HGZO thin films exhibit rough pyramid-like textured surface, high optical transmittances in the visible and near infrared region and excellent electrical properties. The experiment results indicate that tungsten-doped indium oxide (In{sub 2}O{sub 3}:W, IWO) buffer layers can effectively improve the surface roughness and enhance the light scattering ability of HGZO thin films. The root-mean-square roughness of HGZO, IWO (10 nm)/HGZO and IWO (30 nm)/HGZO thin films are 28, 44 and 47 nm, respectively. The haze values at the wavelength of 550 nm increase from 7.0% of HGZO thin film without buffer layer to 18.37% of IWO (10 nm)/HGZO thin film. The optimized IWO (10 nm)/HGZO exhibits a high optical transmittance of 82.18% in the visible and near infrared region (λ ∼ 400–1100 nm) and excellent electrical properties with a relatively low sheet resistance of 3.6 Ω/□ and the resistivity of 6.21 × 10{sup −4} Ωcm. - Highlights: • Textured hydrogenated gallium-doped zinc oxide (HGZO) films were developed. • Tungsten-doped indium oxide (IWO) buffer layers were applied for the HGZO films. • Light-scattering ability of the HGZO films can be improved through buffer layers. • Low sheet resistance and high haze were obtained for the IWO(10 nm)/HGZO film. • The IWO/HGZO films are promising transparent conductive layers for solar cells.

  10. Electrical properties from photoinduced charging on Cd-doped (100) surfaces of CuInSe{sub 2} epitaxial thin films

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Nicole, E-mail: nejhnsn2@illinois.edu; Rockett, Angus [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, 1304 W Green St., Urbana, Illinois 61801 (United States); Aydogan, Pinar; Suzer, Sefik [Department of Chemistry, Bilkent University, 06800 Ankara (Turkey)

    2016-05-15

    The photoresponse of Cd-doped CuInSe{sub 2} (CIS) epitaxial thin films on GaAs(100) was studied using x-ray photoelectron spectroscopy under illumination from a 532 nm laser between sample temperatures of 28–260 °C. The initial, air-exposed surface shows little to no photoresponse in the photoelectron binding energies, the Auger electron kinetic energies or peak shapes. Heating between 50 and 130 °C in the analysis chamber results in enhanced n-type doping at the surface and an increased light-induced binding energy shift, the magnitude of which persists when the samples are cooled to room temperature from 130 °C but which disappears when cooling from 260 °C. Extra negative charge trapped on the Cu and Se atoms indicates deep trap states that dissociate after cooling from 260 °C. Analysis of the Cd modified Auger parameter under illumination gives experimental verification of electron charging on Cd atoms thought to be shallow donors in CIS. The electron charging under illumination disappears at 130 °C but occurs again when the sample is cooled to room temperature.

  11. Characterization of electronic charged states of P-doped Si quantum dots using AFM/Kelvin probe

    International Nuclear Information System (INIS)

    Makihara, Katsunori; Xu, Jun; Ikeda, Mitsuhisa; Murakami, Hideki; Higashi, Seiichiro; Miyazaki, Seiichi

    2006-01-01

    Phosphorous doping to Si quantum dots was performed by a pulse injection of 1% PH 3 diluted with He during the dot formation on thermally grown SiO 2 from thermal decomposition of pure SiH 4 , and electron charging to and discharging from P-doped Si dots were studied to characterize their electronic charged states using a Kelvin probe technique in atomic force microscopy (AFM). The potential change corresponding to the extraction of one electron from each of the P-doped Si dots was observed after applying a tip bias as low as + 0.2 V while for undoped Si dots, with almost the same size as P-doped Si dots, almost the same amount of the potential change was detectable only when the tip bias was increased to ∼ 1 V. It is likely that, for P-doped Si dots, the electron extraction from the conduction band occurs and results in a positively charged state with ionized P donor

  12. The effect of p-doping on multi-state lasing in InAs/InGaAs quantum dot lasers for different cavity lengths

    Science.gov (United States)

    Korenev, V. V.; Savelyev, A. V.; Maximov, M. V.; Zubov, F. I.; Shernyakov, Yu M.; Zhukov, A. E.

    2017-11-01

    The effect of modulation p-doping on multi-state lasing in InAs/InGaAs quantum dot (QD) lasers is studied for different levels of acceptor concentration. It is shown that in case of the short laser cavities, p-doping results in higher output power of the ground-state optical transitions of InAs/InGaAs QDs whereas in longer samples p-doping may result in the decrease of this power component. On the basis of this observation, the optimal design of laser active region and optimal doping level are discussed in details.

  13. Photocatalytic disinfection of surfaces with copper doped Ti02 nanotube coatings illuminated by ceiling mounted fluorescent light

    Science.gov (United States)

    Koklic, Tilen; Pintarič, Štefan; Zdovc, Irena; Golob, Majda; Umek, Polona; Mehle, Alma; Dobeic, Martin; Štrancar, Janez

    2018-01-01

    High economic burden is associated with foodborne illnesses. Different disinfection methods are therefore employed in food processing industry; such as use of ultraviolet light or usage of surfaces with copper-containing alloys. However, all the disinfection methods currently in use have some shortcomings. In this work we show that copper doped TiO2 nanotubes deposited on existing surfaces and illuminated with ceiling mounted fluorescent lights can retard the growth of Listeria Innocua by 80% in seven hours of exposure to the fluorescent lights at different places in a food processing plant or in the laboratory conditions with daily reinocuation and washing. The disinfection properties of the surfaces seem to depend mainly on the temperature difference of the surface and the dew point, where for the maximum effectiveness the difference should be about 3 degrees celsius. The TiO2 nanotubes have a potential to be employed for an economical and continuous disinfection of surfaces. PMID:29768464

  14. Formation and nitrile hydrogenation performance of Ru nanoparticles on a K-doped Al2O3 surface.

    Science.gov (United States)

    Muratsugu, Satoshi; Kityakarn, Sutasinee; Wang, Fei; Ishiguro, Nozomu; Kamachi, Takashi; Yoshizawa, Kazunari; Sekizawa, Oki; Uruga, Tomoya; Tada, Mizuki

    2015-10-14

    Decarbonylation-promoted Ru nanoparticle formation from Ru3(CO)12 on a basic K-doped Al2O3 surface was investigated by in situ FT-IR and in situ XAFS. Supported Ru3(CO)12 clusters on K-doped Al2O3 were converted stepwise to Ru nanoparticles, which catalyzed the selective hydrogenation of nitriles to the corresponding primary amines via initial decarbonylation, the nucleation of the Ru cluster core, and the growth of metallic Ru nanoparticles on the surface. As a result, small Ru nanoparticles, with an average diameter of less than 2 nm, were formed on the support and acted as efficient catalysts for nitrile hydrogenation at 343 K under hydrogen at atmospheric pressure. The structure and catalytic performance of Ru catalysts depended strongly on the type of oxide support, and the K-doped Al2O3 support acted as a good oxide for the selective nitrile hydrogenation without basic additives like ammonia. The activation of nitriles on the modelled Ru catalyst was also investigated by DFT calculations, and the adsorption structure of a nitrene-like intermediate, which was favourable for high primary amine selectivity, was the most stable structure on Ru compared with other intermediate structures.

  15. DFT study on the adsorption of diethyl, ethyl methyl, and dimethyl ethers on the surface of gallium doped graphene

    Energy Technology Data Exchange (ETDEWEB)

    Shokuhi Rad, Ali, E-mail: a.shokuhi@gmail.com [Department of Chemical Engineering, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of); Sani, Emad; Binaeian, Ehsan [Department of Chemical Engineering, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of); Peyravi, Majid; Jahanshahi, Mohsen [Faculty of Chemical Engineering, Babol University of Technology, Babol (Iran, Islamic Republic of)

    2017-04-15

    Highlights: • Adsorption of three ether molecules on the surface of Ga-doped graphene has been investigated. • High degree of adsorption for all analytes is found. • Ga-doped graphene shows p-type semiconductor property upon adsorption of ether molecules. - Abstract: In this study, we used density functional theory (DFT) to search on the adsorption properties of three important compounds of ether family; diethyl ether (DEE), ethyl methyl ether (EME), and dimethyl ether (DME) on the surface of Gallium doped graphene (GaG). We used three functionals (B3LYP, wb97xd, and MPW1PW91) for optimization and calculation of adsorption energy. After fully optimization, we scrutinized on the charge allocations on the adsorbed ethers as well as GaG (at the area of interaction) based on natural bond orbitals (NBO). Besides, we have calculated the amount of charge transfer upon adsorption of each analyte. We revel that GaG is an ideal adsorbent for chemisorption of all above-mentioned ethers. There is a little difference between the values of adsorption; −123.5, −120, and −118.3 kJ/mol (based on wb97xd) for DEE, EME, and DME, respectively. We found significant changes in the electronic structure of both adsorbent and adsorbate upon adsorption. Moreover, results of charge analyses confirm GaG is a p-type semiconductor.

  16. DFT study on the adsorption of diethyl, ethyl methyl, and dimethyl ethers on the surface of gallium doped graphene

    International Nuclear Information System (INIS)

    Shokuhi Rad, Ali; Sani, Emad; Binaeian, Ehsan; Peyravi, Majid; Jahanshahi, Mohsen

    2017-01-01

    Highlights: • Adsorption of three ether molecules on the surface of Ga-doped graphene has been investigated. • High degree of adsorption for all analytes is found. • Ga-doped graphene shows p-type semiconductor property upon adsorption of ether molecules. - Abstract: In this study, we used density functional theory (DFT) to search on the adsorption properties of three important compounds of ether family; diethyl ether (DEE), ethyl methyl ether (EME), and dimethyl ether (DME) on the surface of Gallium doped graphene (GaG). We used three functionals (B3LYP, wb97xd, and MPW1PW91) for optimization and calculation of adsorption energy. After fully optimization, we scrutinized on the charge allocations on the adsorbed ethers as well as GaG (at the area of interaction) based on natural bond orbitals (NBO). Besides, we have calculated the amount of charge transfer upon adsorption of each analyte. We revel that GaG is an ideal adsorbent for chemisorption of all above-mentioned ethers. There is a little difference between the values of adsorption; −123.5, −120, and −118.3 kJ/mol (based on wb97xd) for DEE, EME, and DME, respectively. We found significant changes in the electronic structure of both adsorbent and adsorbate upon adsorption. Moreover, results of charge analyses confirm GaG is a p-type semiconductor.

  17. Surface states in thin versus thick organic quantum wells

    International Nuclear Information System (INIS)

    Nguyen Ba An; Hanamura, E.

    1995-08-01

    Surface states are studied in dependence on thickness or organic quantum wells within the nearest layer approximation. It is shown that there is a material-dependent critical thickness. Structures, that have thickness thinner or thicker than the critical one, exhibit qualitatively different characteristics of surface states. Criteria for existence and sign rules for location of energy levels of surface states are established which are general and contain the results of the previous works as particular cases. (author). 18 refs, 3 figs

  18. Transition from diamagnetic to ferromagnetic state in laser ablated nitrogen doped ZnO thin films

    Directory of Open Access Journals (Sweden)

    Kajal Jindal

    2015-02-01

    Full Text Available Transition from room temperature diamagnetic to ferromagnetic state in N doped ZnO (ZnO:N films grown by pulsed laser deposition with tunable energy density has been identified. ZnO:N films deposited with moderate laser energy density of 2.5 J/cm2 are single phase and nearly defect free having N dopant substitution at O sites in ZnO lattice, exhibiting intrinsic ferromagnetism. When energy density reduces (<2.5 J/cm2, defects in ZnO:N film degrades ferromagnetism and exhibit diamagnetic phase when grown at energy density of 1.0 J/cm2. Growth kinetics, which in turn depends on laser energy density is playing important role in making transition from ferromagnetic to diamagnetic in ZnO:N films.

  19. The Photovoltaic Performance of Doped-CuI Hole Conductors for Solid State Dye-Sensitized Solar Cells

    International Nuclear Information System (INIS)

    Amalina, M N; Najwa, A A E; Abdullah, M H; Musa, M Z; Rusop, M

    2013-01-01

    The iodine doped copper (I) iodide (I 2 : CuI) at different weight of iodine dopant have been prepared to investigate its thin films properties and photovoltaic performance. A novel method of mist atomization technique has been used for the deposition of CuI materials. The structural and electrical properties of CuI thin films deposited on the glass substrates were studied. The thin films morphology examined by FESEM shows a variation of crystal size and structure. Brick-like structure with smooth faces and sharp edges were seen for the doped thin films. The CuI thin films at 30 mg of iodine doping shows the highest resistivity of 4.56 × 101 Ω cm which caused by the surface traps create by iodine doping. The photovoltaic performance of ss-DSSC on the effect of variation iodine doping was investigated. The ss-DSSC fabricated with undoped CuI materials shows the highest efficiency of 1.05% while the 40 mg I 2 content shows the lowest conversion efficiency of 0.45%. The crystals size of CuI and its degree of crystallization are greatly contributed to the high filling fraction of the porous TiO 2 layer and hence the cells performance.

  20. A General Solid-State Synthesis of Chemically-Doped Fluorescent Graphene Quantum Dots for Bioimaging and Optoelectronic Applications

    KAUST Repository

    Ma, Chong-Bo

    2015-05-05

    Graphene quantum dots (GQDs) have attracted increasing interest because of their excellent properties such as strong photoluminescence, excellent biocompatibility and low cost. Herein, we develop a general method for the synthesis of doped and undoped GQDs, which relies on direct carbonization of organic precursors at solid state.

  1. A General Solid-State Synthesis of Chemically-Doped Fluorescent Graphene Quantum Dots for Bioimaging and Optoelectronic Applications

    KAUST Repository

    Ma, Chong-Bo; Zhu, Zhentong; Wang, Hang-Xing; Huang, Xiao; Zhang, Xiao; Qi, Xiaoying; Zhang, Haoli; Zhu, Yihan; Deng, Xia; Peng, Yong; Han, Yu; Zhang, Hua

    2015-01-01

    Graphene quantum dots (GQDs) have attracted increasing interest because of their excellent properties such as strong photoluminescence, excellent biocompatibility and low cost. Herein, we develop a general method for the synthesis of doped and undoped GQDs, which relies on direct carbonization of organic precursors at solid state.

  2. Minimal model for spoof acoustoelastic surface states

    Directory of Open Access Journals (Sweden)

    J. Christensen

    2014-12-01

    Full Text Available Similar to textured perfect electric conductors for electromagnetic waves sustaining artificial or spoof surface plasmons we present an equivalent phenomena for the case of sound. Aided by a minimal model that is able to capture the complex wave interaction of elastic cavity modes and airborne sound radiation in perfect rigid panels, we construct designer acoustoelastic surface waves that are entirely controlled by the geometrical environment. Comparisons to results obtained by full-wave simulations confirm the feasibility of the model and we demonstrate illustrative examples such as resonant transmissions and waveguiding to show a few examples of many where spoof elastic surface waves are useful.

  3. Effect of carbazole-oxadiazole excited-state complexes on the efficiency of dye-doped light-emitting diodes

    Science.gov (United States)

    Jiang, Xuezhong; Register, Richard A.; Killeen, Kelly A.; Thompson, Mark E.; Pschenitzka, Florian; Hebner, Thomas R.; Sturm, James C.

    2002-05-01

    Interactions between hole-transporting carbazole groups and electron-transporting 1,3,4-oxadiazole groups were studied by photoluminescence and electroluminescence (EL) spectroscopy, in blends of poly(N-vinylcarbazole) with 2-tert-butylphenyl-5-biphenyl-1,3,4-oxadiazole (PVK:PBD) and in random copolymers with carbazole and oxadiazole groups attached as side chains. Different excited-state complexes form in the blends, which exhibit exciplexes, and in the copolymers, which manifest electroplexes, due to topological constraints on the position of carbazole and oxadiazole units in the polymer. Both types of complex red-shift the EL spectra of the matrices compared with pure PVK homopolymer, although the shift is significantly greater for the electroplex. The presence of these complexes has a profound effect on the external quantum efficiency of dye-doped organic light-emitting diodes employing the blends or copolymers as matrices, as it strongly affects the efficiency of Förster energy transfer from the matrix to the dye. Single-layer devices doped with either coumarin 47 (C47), coumarin 6 (C6), or nile red (NR) were compared. Among the three dye-doped PVK:PBD devices, C6 doping yields the highest efficiency, while NR doping produced the most efficient copolymer devices, consistent with the degree of overlap between the EL spectrum of the matrix material and the absorption spectrum of the dye.

  4. Surface passivation of n-type doped black silicon by atomic-layer-deposited SiO2/Al2O3 stacks

    Science.gov (United States)

    van de Loo, B. W. H.; Ingenito, A.; Verheijen, M. A.; Isabella, O.; Zeman, M.; Kessels, W. M. M.

    2017-06-01

    Black silicon (b-Si) nanotextures can significantly enhance the light absorption of crystalline silicon solar cells. Nevertheless, for a successful application of b-Si textures in industrially relevant solar cell architectures, it is imperative that charge-carrier recombination at particularly highly n-type doped black Si surfaces is further suppressed. In this work, this issue is addressed through systematically studying lowly and highly doped b-Si surfaces, which are passivated by atomic-layer-deposited Al2O3 films or SiO2/Al2O3 stacks. In lowly doped b-Si textures, a very low surface recombination prefactor of 16 fA/cm2 was found after surface passivation by Al2O3. The excellent passivation was achieved after a dedicated wet-chemical treatment prior to surface passivation, which removed structural defects which resided below the b-Si surface. On highly n-type doped b-Si, the SiO2/Al2O3 stacks result in a considerable improvement in surface passivation compared to the Al2O3 single layers. The atomic-layer-deposited SiO2/Al2O3 stacks therefore provide a low-temperature, industrially viable passivation method, enabling the application of highly n- type doped b-Si nanotextures in industrial silicon solar cells.

  5. Effects of phosphorus-doping on energy band-gap, structural, surface, and photocatalytic characteristics of emulsion-based sol-gel derived TiO{sub 2} nano-powder

    Energy Technology Data Exchange (ETDEWEB)

    Ganesh, Ibram, E-mail: ibramganesh@arci.res.in

    2017-08-31

    Highlights: • Reported a novel route to synthesize high specific surface area P-doped TiO{sub 2} nano-powder photocatalysts. • Established methylene blue dye-sensitization mechanism of TiO{sub 2} photocatalyst. • Established the effects of methylene blue adsorption on the surface, structural and photocatalytic activity of P-doped TiO{sub 2}. • Established true quantum efficiency determination method for TiO{sub 2} photocatalysis. - Abstract: Different amounts of phosphorus (P)-doped TiO{sub 2} (PDT) nano-powders (P = 0–10 wt.%) were synthesized by following a new emulsion-based sol-gel (EBSG) route and calcined at 400 °C–800 °C for 6 h. These calcined PDT powders were then thoroughly characterized by means of XRD, XPS, SEM, FT-IR, FT-Raman, DRS, BET surface area, zeta-potential, cyclic-voltammetry and photocatalytic evaluation using methylene blue (MB) as a model-pollutant and established the effects of phosphorous doping on structural, surface, band-gap energy, and photocatalytic characteristics of TiO{sub 2} nano-powder formed in EBSG route. The characterization results suggest that the EBSG derived TiO{sub 2} nano-powder after calcination at 400 °C for 6 h is in the form of anatase phase when it was doped with <8 wt.% P, and it is in the amorphous state when doped with >8 wt.% P. Furthermore, these EBSG derived PDT powders own high negative zeta-potentials, high specific surface areas (up to >250 m{sup 2}/g), and suitable band-gap energies (<3.34 eV). Surprisingly, these PDT powders exhibit very high MB adsorption (up to 50%) from its aqueous 0.01 mM, 0.02 mM and 0.03 mM solutions during 30 min stirring in the dark, whereas, the commercial Degussa P-25 TiO{sub 2} nano-powder shows no adsorption. Among various photocatalysts investigated in this study, the 1 wt.% P-doped TiO{sub 2} nano-powder formed in EBSG route exhibited the highest photocatalytic activity for MB degradation reaction.

  6. Enhanced carrier collection efficiency and reduced quantum state absorption by electron doping in self-assembled quantum dot solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tian, E-mail: tianlee@umd.edu, E-mail: dage@ece.umd.edu; Dagenais, Mario, E-mail: tianlee@umd.edu, E-mail: dage@ece.umd.edu [Department of Electrical Engineering, University of Maryland, College Park, Maryland 20742 (United States); Lu, Haofeng; Fu, Lan; Tan, Hark Hoe; Jagadish, Chennupati [Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra ACT 0200 (Australia)

    2015-02-02

    Reduced quantum dot (QD) absorption due to state filling effects and enhanced electron transport in doped QDs are demonstrated to play a key role in solar energy conversion. Reduced QD state absorption with increased n-doping is observed in the self-assembled In{sub 0.5}Ga{sub 0.5}As/GaAs QDs from high resolution below-bandgap external quantum efficiency (EQE) measurement, which is a direct consequence of the Pauli exclusion principle. We also show that besides partial filling of the quantum states, electron-doping produces negatively charged QDs that exert a repulsive Coulomb force on the mobile electrons, thus altering the electron trajectory and reducing the probability of electron capture, leading to an improved collection efficiency of photo-generated carriers, as indicated by an absolute above-bandgap EQE measurement. The resulting redistribution of the mobile electron in the planar direction is further validated by the observed photoluminescence intensity dependence on doping.

  7. Energetics and magnetism of Co-doped GaN(0001) surfaces: A first-principles study

    International Nuclear Information System (INIS)

    Qin, Zhenzhen; Xiong, Zhihua; Chen, Lanli; Qin, Guangzhao

    2014-01-01

    A comprehensive first-principles study of the energetics, electronic, and magnetic properties of Co-doped GaN(0001) thin films are presented and the effect of surface structure on the magnetic coupling between Co atoms is demonstrated. It is found that Co atoms prefer to substitute the surface Ga sites in different growth conditions. In particular, a CoN/GaN interface structure with Co atoms replacing the first Ga layer is preferred under N-rich and moderately Ga-rich conditions, while CoGa x /GaN interface is found to be energetically stable under extremely Ga-rich conditions. It is worth noted that the antiferromagnetic coupling between Co atoms is favorable in clean GaN(0001) surface, but the existence of ferromagnetism would be expected to occur as Co concentration increased in Ga-bilayer GaN(0001) surface. Our study provides the theoretical understanding for experimental research on Co-doped GaN films and might promise the Co:GaN system potential applications in spin injection devices

  8. Combined embedding of N-doping and CaCO{sub 3} surface modification in the TiO{sub 2} photoelectrodes for dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Park, Su Kyung; Yun, Tae Kwan [Department of Chemistry, Keimyung University, Daegu 704-701 (Korea, Republic of); Bae, Jae Young, E-mail: jybae@kmu.ac.kr [Department of Chemistry, Keimyung University, Daegu 704-701 (Korea, Republic of); Won, Yong Sun, E-mail: yswon@pknu.ac.kr [Department of Chemical Engineering, Pukyong National University, Busan 608-739 (Korea, Republic of)

    2013-11-15

    A successive embedding of N-doping and CaCO{sub 3} surface modification was carried out in the TiO{sub 2} photoelectrodes for dye-sensitized solar cells (DSSCs). The combined effect was revealed with the great increase of the open-circuit voltage (V{sub oc}), short-circuit current (J{sub sc}), and photoelectric conversion efficiency (η) of the prepared cells; the efficiency (η) was improved from 5.42% of a commercial TiO{sub 2} photoelectrode to 7.47% of an unmodified N-doped electrode, and to 9.03% of a N-doped and CaCO{sub 3} surface modified electrode. An enhanced photoresponse in N-doped TiO{sub 2} nanoparticles generate more photo-excited electrons in adsorbed dye, as supported by measured UV–vis diffuse reflectance spectra and incident photon to current conversion efficiency (IPCE). A successive CaCO{sub 3} surface modification then form a barrier on the surface of N-doped TiO{sub 2} particles, suppressing charge recombination of photo-generated electrons from N-doped TiO{sub 2} to dye or electrolyte, and thus extending their life time in the electrode, as supported by electron impedance spectroscopy (EIS). Furthermore, the higher basicity of the CaCO{sub 3} modified TiO{sub 2} facilitates the dye adsorption, as supported by the direct measurement of the amount of adsorbed dye.

  9. Impacts of Co-doping on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystal studied by the electrical transport.

    Science.gov (United States)

    Urata, Takahiro; Tanabe, Yoichi; Heguri, Satoshi; Tanigaki, Katsumi

    2015-03-01

    In the FeSe with the simplest crystal structure in the Fe-based superconductor families, although both the superconductivity and the orbital ordering states are investigated, the relation between them is still unclear. Here, we report Co doping effects on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystals. The electrical transport measurements demonstrated that the superconductivity vanishes at 4 % Co doping while the orbital ordering state may be robust against Co doping. Present results suggest that the orbital ordering state is not related to the emergence of the superconductivity in FeSe.

  10. Peculiar ferromagnetic insulator state in the low-hole-doped manganites

    International Nuclear Information System (INIS)

    Algarabel, P.A.; Teresa, J.M. de; Blasco, J.; Ibarra, M.R.; Kapusta, Cz.; Sikora, M.; Zajac, D.; Riedi, P.C.; Ritter, C.

    2003-01-01

    In this work we show the very different nature of the ferromagnetic state of the low-hole-doped manganites with respect to other manganites showing colossal magnetoresistance. High-field measurements definitively prove the coexistence of ferromagnetic-metallic and ferromagnetic-insulating regions even when the sample is magnetically saturated, with the ground state being inhomogeneous. We have investigated La 0.9 Ca 0.1 MnO 3 as a prototype compound. A wide characterization by means of magnetic and magnetotransport measurements, neutron diffraction, small-angle neutron scattering, and nuclear magnetic resonance has allowed us to establish that the ground state is based on the existence of disordered nanometric double-exchange metallic clusters that coexist with long-range superexchange-based ferromagnetic insulating regions. Under high magnetic field the system reaches magnetization saturation by aligning the magnetic clusters and the insulating matrix, but even if they grow in size, they do not reach the percolation limit

  11. A first principle simulation of competitive adsorption of SF6 decomposition components on nitrogen-doped anatase TiO2 (101) surface

    Science.gov (United States)

    Dong, Xingchen; Zhang, Xiaoxing; Cui, Hao; Zhang, Jun

    2017-11-01

    Gas insulated switchgear has been widely used in modern electric systems due to its significantly excellent performances such as compact structure and low land occupation as well as the security stability. However, inside defects caused during manufacture process can lead to partial discharge which might develop into serious insulation failure. Online monitoring method on basis of gas sensors is considered a promising way of detecting partial discharge for alarm ahead of time. Research has found that TiO2 nanotubes sensors show good response to SO2, SOF2, SO2F2, the decomposition components as a result of partial discharge. In order to investigate the gas-sensing mechanism of nitrogen-doped TiO2 prepared via plasma treatment methods to SO2, SOF2, and SO2F2, the adsorption structures of both three gas molecules and anatase TiO2 (101) surface were built, and DFT calculations were then carried out for calculation and analysis of adsorption parameters. Adsorption property comparison of anatase TiO2 (101) surface after nitrogen doping with Au doping and without doping shows that nitrogen doping can obviously enhance the adsorption energy for SO2 and SOF2 adsorption and no charge transfer for SO2F2 adsorption, further explaining the adsorption mechanism and doping influence of different doping elements.

  12. Chemical disorder influence on magnetic state of optimally-doped La0.7Ca0.3MnO3

    Science.gov (United States)

    Rozenberg, E.; Auslender, M.; Shames, A. I.; Jung, G.; Felner, I.; Tsindlekht, M. I.; Mogilyansky, D.; Sominski, E.; Gedanken, A.; Mukovskii, Ya. M.; Gorodetsky, G.

    2011-10-01

    X-band electron magnetic resonance and dc/ac magnetic measurements have been employed to study the effects of chemical disorder on magnetic ordering in bulk and nanometer-sized single crystals and bulk ceramics of optimally-doped La0.7Ca0.3MnO3 manganite. The magnetic ground state of bulk samples appeared to be ferromagnetic with the lower Curie temperature and higher magnetic homogeneity in the vicinity of the ferromagnetic-paramagnetic phase transition in the crystal, as compared with those characteristics in the ceramics. The influence of technological driven "macroscopic" fluctuations of Ca-dopant level in crystal and "mesoscopic" disorder within grain boundary regions in ceramics was proposed to be responsible for these effects. Surface spin disorder together with pronounced inter-particle interactions within agglomerated nano-sample results in well defined core/shell spin configuration in La0.7Ca0.3MnO3 nano-crystals. The analysis of the electron paramagnetic resonance data enlightened the reasons for the observed difference in the magnetic order. Lattice effects dominate the first-order nature of magnetic phase transition in bulk samples. However, mesoscale chemical disorder seems to be responsible for the appearance of small ferromagnetic polarons in the paramagnetic state of bulk ceramics. The experimental results and their analysis indicate that a chemical/magnetic disorder has a strong impact on the magnetic state even in the case of mostly stable optimally hole-doped manganites.

  13. Tunneling spectroscopy on semiconductors with a low surface state density

    OpenAIRE

    Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

    1997-01-01

    A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

  14. Correlation of tunneling spectra with surface nanomorphology and doping in thin YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} films

    Energy Technology Data Exchange (ETDEWEB)

    Sharoni, A.; Millo, O. [Hebrew Univ., Jerusalem (Israel). Racah Inst. of Physics; Koren, G. [Technion-Israel Inst. of Tech., Haifa (Israel). Dept. of Physics

    2001-06-01

    Tunneling spectra measured on thin epitaxial YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} films are found to exhibit strong spatial variations, showing U- and V-shaped gaps as well as zero-bias conductance peaks typical of a d-wave superconductor. A full correspondence is found between the tunneling spectra and the surface morphology down to a level of a unit-cell step. Splitting of the zero-bias conductance peak is seen in optimally-doped and overdoped films, but not in the underdoped ones, suggesting that there is no transition to a state of broken time-reversal symmetry in the underdoped regime. (orig.)

  15. Surface chemical and photocatalytic consequences of Ca-doping of BiFeO{sub 3} as probed by XPS and H{sub 2}O{sub 2} decomposition studies

    Energy Technology Data Exchange (ETDEWEB)

    Zaki, Mohamed I., E-mail: mizaki@link.net [Chemistry Department, Faculty of Science, Minia University, El-Minia 61519 (Egypt); Ramadan, Wegdan [Physics Department, Faculty of Science, Alexandria University, Alexandria 21511 (Egypt); Katrib, Ali [Chemistry Department, Faculty of Science, Kuwait University, P.O. Box 5969, Safat 13060 (Kuwait); Rabee, Abdallah I.M. [Chemistry Department, Faculty of Science, Minia University, El-Minia 61519 (Egypt)

    2014-10-30

    Graphical abstract: - Highlights: • BiFeO{sub 3} is a modest visible-light heterogeneous photocatalyst for H{sub 2}O{sub 2} decomposition. • The ferrite activity is promoted with Ca-doping up to 10 wt%-Ca. • Favourable consequences are enhanced surface metal redoxability and oxide basicity. • Furthering doping to >10 wt%-Ca retrogresses the ferrite photocatalytic activity. • A retrogressive doping consequence is bulk phase separation of α(γ)-Fe{sub 2}O{sub 3}. - Abstract: Pure and Ca-doped Bi{sub 1−x}Ca{sub x}FeO{sub 3} samples were prepared with x = 0.0–0.2, adopting a sol–gel method. Previously reported studies performed on similarly composed and prepared samples revealed that Ca-doping, above solubility limit (namely at ≥10%-Ca), results in phase separation and formation of BiFeO{sub 3}/α(γ)-Fe{sub 2}O{sub 3} nanocomposite particles. Hetero p/n nanojunctions thus established were considered to help separating photo-generated electron–hole pairs and, therefore, explain consequent promotion of photo-Fenton catalytic activity of BiFeO{sub 3} towards methylene blue degradation in presence of H{sub 2}O{sub 2} additive. However, the encompassed decomposition of H{sub 2}O{sub 2} was not addressed. To bridge this gap of knowledge, the present investigation was designed to assess Ca-doping-effected surface chemical modifications and gauge its impact on the heterogeneous photo-/thermo-catalytic activity of BiFeO{sub 3} towards H{sub 2}O{sub 2} decomposition, by means of X-ray photoelectron spectroscopy (XPS) and H{sub 2}O{sub 2} decomposition gravimetry. XPS results revealed generation of high binding energy Bi 4f and Fe 2p states, as well as enhancement of the surface basicity, upon doping to 10%-Ca. These surface chemical consequences are rendered hardly detectable upon further increase of the dopant magnitude to 20%-Ca. In parallel, the H{sub 2}O{sub 2} decomposition activity of the ferrite, under natural visible light, is enhanced to optimize

  16. Assembling nitrogen and oxygen co-doped graphene quantum dots onto hierarchical carbon networks for all-solid-state flexible supercapacitors

    International Nuclear Information System (INIS)

    Li, Zhen; Li, Yanfeng; Wang, Liang; Cao, Ling; Liu, Xiang; Chen, Zhiwen; Pan, Dengyu; Wu, Minghong

    2017-01-01

    Highlights: • The all-carbon ternary flexible electrodes have been fabricated by the electrode deposition of nitrogen and oxygen co-doped single-crystalline GQDs. • The flexible electrodes deliver ultrahigh specific capacitance (461 mF cm"−"2) by inducing a high concentration of active nitrogen and oxygen at edge. • Symmetrical N-O-GQD/CNT/CC all-solid-state flexible supercapacitors offer energy density up to 32 μWh cm"−"2 and demonstrate the good stability, high flexibility, and folding ability under different deformations. • Nitrogen and oxygen co-doped GQDs can function as a highly active, solution-processable pseudocapacitive materials applicable to high-performance supercapacitors. - Abstract: We present a novel approach for hierarchical fabrication of high-performance, all-solid-state, flexible supercapacitors from environmentally friendly all-carbon materials. Three-dimensional carbon nanotube/carbon cloth network (CNT/CC) is used as a conductive, flexible and free-standing scaffold for the electro-deposition of highly N/O co-doped graphene quantum dots to form the high-activity, all-carbon electrodes. The hierarchical structure of the CNT/CC network with high electrical conductivity and high surface area provides improved conductive pathways for the efficient activation of GQDs with high pseudocapacitance and electrical double layer capacitance. The obtained N-O-GQD/CNT/CC electrodes for all-solid-state flexible supercapacitors exhibit an ultrahigh areal capacitance of up to 461 mF cm"−"2 at a current density of 0.5 mA cm"−"2, while keeping high rate and cyclic performances. This work highlights the great potential of highly active GQDs in the construction of high-performance flexible energy-storage devices.

  17. The synergistic effect of nitrogen-doped titanium dioxide/mercaptobenzoic acid/silver nanocomplexes for surface-enhanced Raman scattering

    Science.gov (United States)

    Feng, Jun; Bao, Wenyuan; Li, Lijun; Cheng, Hao; Huang, Wenyi; Kong, Hongxing; Li, Yanqing

    2018-03-01

    We synthesized titanium dioxide (TiO2) and nitrogen-doped TiO2 nanoparticles (N-TiO2 NPs) via a sol-hydrothermal method using ammonium chloride (NH4Cl) as the nitrogen (N) source. Furthermore, an N-TiO2/4-mercaptobenzoic acid (4-MBA)/silver (Ag) nanocomplex served as an active substrate for surface-enhanced Raman scattering (SERS) and was prepared by self-assembly. During SERS, the Raman signals of 4-MBA of the N-TiO2/MBA/Ag nanocomplexes exhibited higher intensity and sensitivity than pure TiO2/MBA/Ag, with 1% N doping in N-TiO2, producing the strongest Raman signals. We characterized the N-TiO2 hybrid materials by transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and ultraviolet-visible diffuse reflectance spectra. N doping did not influence the phase of the TiO2 crystal. The doped N entered into the crystal lattice of the TiO2, replacing some oxygen (O) to form Ti-O-N or Ti-N-O linkage. The results indicated that an appropriate amount of N doping could enhance the SERS performance of the TiO2 SERS substrate via N substitution doping. These doping forms were beneficial to the molecular charge transfer (CT), and this resulted in improved SERS performance for N-doped TiO2 NPs. We attributed this improvement to the formation of N-doping energy levels that were beneficial to the process of TiO2 to MBA molecule CT. This work not only enriched the nonmetal-doped CT mechanism in SERS but also provided several reference values for practical applications. [Figure not available: see fulltext.

  18. Surface and catalytic properties of MoO3/Al2O3 system doped with Co3O4

    International Nuclear Information System (INIS)

    Zahran, A.A.; Shaheen, W.M.; El-Shobaky, G.A.

    2005-01-01

    Thermal solid-solid interactions in cobalt treated MoO 3 /Al 2 O 3 system were investigated using X-ray powder diffraction. The solids were prepared by wet impregnation method using Al(OH) 3 , ammonium molybdate and cobalt nitrate solutions, drying at 100 deg. C then calcination at 300, 500, 750 and 1000 deg. C. The amount of MoO 3 , was fixed at 16.67 mol% and those of cobalt oxide were varied between 2.04 and 14.29 mol% Co 3 O 4 . Surface and catalytic properties of various solid samples precalcined at 300 and 500 deg. C were studied using nitrogen adsorption at -196 deg. C, conversion of isopropanol at 200-500 deg. C and decomposition of H 2 O 2 at 30-50 deg. C. The results obtained revealed that pure mixed solids precalcined at 300 deg. C consisted of AlOOH and MoO 3 phases. Cobalt oxide-doped samples calcined at the same temperature consisted also of AlOOH, MoO 3 and CoMoO 4 compounds. The rise in calcination temperature to 500 deg. C resulted in complete conversion of AlOOH into very poorly crystalline γ-Al 2 O 3 . The further increase in precalcination temperature to 750 deg. C led to the formation of Al 2 (MoO 4 ) 3 , κ-Al 2 O 3 besides CoMoO 4 and un-reacted portion of Co 3 O 4 in the samples rich in cobalt oxide. Pure MoO 3 /Al 2 O 3 preheated at 1000 deg. C composed of MoO 3 -αAl 2 O 3 solid solution (acquired grey colour). The doped samples consisted of the same solid solution together with CoMoO 4 and CoAl 2 O 4 compounds. The increase in calcination temperature of pure and variously doped solids from 300 to 500 deg. C increased their specific surface areas and total pore volume which suffered a drastic decrease upon heating at 750 deg. C. Doping the investigated system with small amounts of cobalt oxide (2.04 and 4 mol%) followed by heating at 300 and 500 deg. C increased its catalytic activity in H 2 O 2 decomposition. This increase, measured at 300 deg. C, attained 25.4- and 12.9-fold for the solids precalcined at 300 and 500 deg. C, respectively

  19. Visible-light sensitization of boron-doped nanocrystalline diamond through non-covalent surface modification

    Czech Academy of Sciences Publication Activity Database

    Krýsová, Hana; Vlčková Živcová, Zuzana; Bartoň, Jan; Petrák, Václav; Nesladek, M.; Cígler, Petr; Kavan, Ladislav

    2015-01-01

    Roč. 17, č. 2 (2015), s. 1165-1172 ISSN 1463-9076 R&D Projects: GA ČR GA13-31783S Institutional support: RVO:61388955 ; RVO:61388963 ; RVO:68378271 Keywords : nanocrystallines * visible-light sensitization * boron-doped diamond Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.449, year: 2015

  20. Electrochemical impedance spectroscopy of polycrystalline boron doped diamond layers with hydrogen and oxygen terminated surface

    Czech Academy of Sciences Publication Activity Database

    Vlčková Živcová, Zuzana; Petrák, Václav; Frank, Otakar; Kavan, Ladislav

    2015-01-01

    Roč. 55, MAY 2015 (2015), s. 70-76 ISSN 0925-9635 R&D Projects: GA ČR GA13-31783S Institutional support: RVO:61388955 ; RVO:68378271 Keywords : Boron doped diamond * Electrochemical impedance spectroscopy * Aqueous electrolyte solution Subject RIV: CG - Electrochemistry Impact factor: 2.125, year: 2015

  1. Fabrication and photovoltaic performance of niobium doped TiO{sub 2} hierarchical microspheres with exposed {001} facets and high specific surface area

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yongqiang; Ran, Huili [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); State Centre for International Cooperation on Designer Low-Carbon and Environmental Materials, Zhengzhou University, Zhengzhou 450001 (China); Fan, Jiajie, E-mail: fanjiajie@zzu.edu.cn [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); State Centre for International Cooperation on Designer Low-Carbon and Environmental Materials, Zhengzhou University, Zhengzhou 450001 (China); Zhang, Xiaoli; Mao, Jing [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); State Centre for International Cooperation on Designer Low-Carbon and Environmental Materials, Zhengzhou University, Zhengzhou 450001 (China); Shao, Guosheng [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); State Centre for International Cooperation on Designer Low-Carbon and Environmental Materials, Zhengzhou University, Zhengzhou 450001 (China); Institute for Renewable Energy and Environmental Technologies, University of Bolton, Bolton BL3 5AB (United Kingdom)

    2017-07-15

    Highlights: • Nb-doped hierarchical TiO{sub 2} microsphere DSSCs show enhanced performance. • Nb{sup 5+} dopant replaces Ti{sup 4+} cation in TiO{sub 2} lattice. • Electrons transport was enhanced due to the down-shifted conduction band minimum. • Exposed (001) facets and high specific surface area allows high dye-loading. - Abstract: The niobium doped hierarchical anatase TiO{sub 2} microspheres, which are consist of a serried nano-thorns and plicate nano-ribbons with exposed {001} facets, were synthesized using hydrothermal method followed by heat treatment. The effects of niobium on the microstructures and photovoltaic performances of the dye-sensitized solar cells (DSSCs) were studied. The results revealed that Nb{sup 5+} doping replaces Ti{sup 4+} cations in TiO{sub 2} lattice, and the bandgap of the films varies with increasing Nb doping concentration because of the downshift of the conduction band minimum (CBM). The niobium-doped TiO{sub 2} DSSCs with moderate loadings show enhanced performance comparing with their pure TiO{sub 2} counterparts. Optimally, the conversion efficiency of the Nb-3.5 (Nb 3.5 mol%) DSSC is 4.99%. This is higher than that (4.39%) of pure TiO{sub 2} cells by 13.7%. This is due to the fact that the Nb-doped solar cells have increased the number of the photo-induced electrons because of their exposed (001) facets and higher specific surface area; and enhanced electrons collection and transport because of the downshifted CBM of the Nb-doped TiO{sub 2}. However, heavy Nb doping results in the decrease of the performance of the niobium-doped cells due to the excessive defects within the Nb-TiO{sub 2} samples resulting in enhanced charge recombination at defects.

  2. Solvent-induced synthesis of nitrogen-doped hollow carbon spheres with tunable surface morphology for supercapacitors

    Science.gov (United States)

    Liu, Feng; Yuan, Ren-Lu; Zhang, Ning; Ke, Chang-Ce; Ma, Shao-Xia; Zhang, Ru-Liang; Liu, Lei

    2018-04-01

    Nitrogen doped hollow carbon spheres (NHCSs) with tunable surface morphology have been prepared through one-pot carbonization method by using melamine-formaldehyde spheres as template and resorcinol-based resin as carbon precursor in ethanol-water solution. Well-dispersed NHCSs with particle size of 800 nm were obtained and the surface of NHCSs turn from smooth to tough, wrinkled, and finally concave by increasing the ethanol concentration. The fabricated NHCSs possessed high nitrogen content (3.99-4.83%) and hierarchical micro-dual mesoporous structure with surface area range of 265-405 m2 g-1 and total pore volume of 0.18-0.29 cm3 g-1, which contributed to high specific capacitance, excellent rate capability and long cycle life.

  3. State promotion and neutralization of ions near metal surface

    International Nuclear Information System (INIS)

    Zinoviev, A.N.

    2011-01-01

    Research highlights: → Multiply charged ion and the charge induced in the metal form a dipole. → Dipole states are promoted into continuum with decreasing ion-surface distance. → These states cross the states formed from metal atom. → Proposed model explains the dominant population of deep bound states. → Observed spectra of emitted Auger electrons prove this promotion model. -- Abstract: When a multiply charged ion with charge Z approaches the metal surface, a dipole is formed by the multiply charged ion and the charge induced in the metal. The states for such a dipole are promoted into continuum with decreasing ion-surface distance and cross the states formed from metal atom. The model proposed explains the dominant population of deep bound states in collisions considered.

  4. Investigation of fluorine adsorption on nitrogen doped MgAl{sub 2}O{sub 4} surface by first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Xiaojun; Xu, Zhenming [School of Metallurgy and Environment, Central South University, Changsha 410083 (China); Li, Jie, E-mail: 15216105346@163.com [School of Metallurgy and Environment, Central South University, Changsha 410083 (China); Chen, Jiangan [Faculty of Resource and Environmental Engineering, Jiangxi University of Science and Technology, Ganzhou 341000 (China); Liu, Qingsheng [Faculty of Metallurgical and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou 341000 (China)

    2016-07-15

    Graphical abstract: First-principles calculations indicate that MgAl{sub 2}O{sub 4} surface is fluorine-loving, but hydrophobic. N doped MgAl{sub 2}O{sub 4} (100) surface structure shows the highest fluorine adsorption performance and fluorine atom is more preferentially adsorbed on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: N doped MgAl{sub 2}O{sub 4} (100) > Al{sub 2}O{sub 3} (0001) > MgAl{sub 2}O{sub 4} (100) > MgO (100). N doped MgAl{sub 2}O{sub 4} is a promising candidate for fluorine removal. - Highlights: • MgAl{sub 2}O{sub 4} surface is fluorine-loving, not hydrophilic. • Fluorine preferentially adsorbs on the Mg-Al bridge site. • Adsorption intensity follow this order: N doped MgAl{sub 2}O{sub 4} > Al{sub 2}O{sub 3} > MgAl{sub 2}O{sub 4} > MgO. • Excellent adsorption performance attributes to electron compensation of N atom. • Nitrogen doped MgAl{sub 2}O{sub 4} is a promising candidate for fluorine removal. - Abstract: The nature of fluorine adsorption on pure and N doped MgAl{sub 2}O{sub 4} surface has been investigated by first-principles calculations based on the density functional theory. Calculated results indicate that MgAl{sub 2}O{sub 4} surface is fluorine-loving, not hydrophilic. Nitrogen doped MgAl{sub 2}O{sub 4} (100) surface shows the highest fluorine adsorption performance and fluorine atom preferentially adsorbs on the Mg-Al bridge site. The fluorine adsorption intensity follow this order: Nitrogen doped MgAl{sub 2}O{sub 4} (100) > Al{sub 2}O{sub 3} (0001) > MgAl{sub 2}O{sub 4} (100) > MgO (100). In-depth PDOS analysis suggested that 2p orbitals of F atom strongly hybridized with 3s- and 3p-orbitals of Al atom contribute to its high adsorption intensity. According to the analysis of Hirshfeld charge, the excellent fluorine adsorption performance of nitrogen doped MgAl{sub 2}O{sub 4} attributes to the electron compensation effect of nitrogen atom and strong electrostatic interactions. All these

  5. A Novel Activated-Charcoal-Doped Multiwalled Carbon Nanotube Hybrid for Quasi-Solid-State Dye-Sensitized Solar Cell Outperforming Pt Electrode.

    Science.gov (United States)

    Arbab, Alvira Ayoub; Sun, Kyung Chul; Sahito, Iftikhar Ali; Qadir, Muhammad Bilal; Choi, Yun Seon; Jeong, Sung Hoon

    2016-03-23

    Highly conductive mesoporous carbon structures based on multiwalled carbon nanotubes (MWCNTs) and activated charcoal (AC) were synthesized by an enzymatic dispersion method. The synthesized carbon configuration consists of synchronized structures of highly conductive MWCNT and porous activated charcoal morphology. The proposed carbon structure was used as counter electrode (CE) for quasi-solid-state dye-sensitized solar cells (DSSCs). The AC-doped MWCNT hybrid showed much enhanced electrocatalytic activity (ECA) toward polymer gel electrolyte and revealed a charge transfer resistance (RCT) of 0.60 Ω, demonstrating a fast electron transport mechanism. The exceptional electrocatalytic activity and high conductivity of the AC-doped MWCNT hybrid CE are associated with its synchronized features of high surface area and electronic conductivity, which produces higher interfacial reaction with the quasi-solid electrolyte. Morphological studies confirm the forms of amorphous and conductive 3D carbon structure with high density of CNT colloid. The excessive oxygen surface groups and defect-rich structure can entrap an excessive volume of quasi-solid electrolyte and locate multiple sites for iodide/triiodide catalytic reaction. The resultant D719 DSSC composed of this novel hybrid CE fabricated with polymer gel electrolyte demonstrated an efficiency of 10.05% with a high fill factor (83%), outperforming the Pt electrode. Such facile synthesis of CE together with low cost and sustainability supports the proposed DSSCs' structure to stand out as an efficient next-generation photovoltaic device.

  6. Textured surface structures formed using new techniques on transparent conducting Al-doped zinc oxide films prepared by magnetron sputtering

    International Nuclear Information System (INIS)

    Minami, Tadatsugu; Miyata, Toshihiro; Uozaki, Ryousuke; Sai, Hitoshi; Koida, Takashi

    2016-01-01

    Surface-textured Al-doped ZnO (AZO) films formed using two new techniques based on magnetron sputtering deposition were developed by optimizing the light scattering properties to be suitable for transparent electrode applications in thin-film silicon solar cells. Scrambled egg-like surface-textured AZO films were prepared using a new texture formation technique that post-etched pyramidal surface-textured AZO films prepared under deposition conditions suppressing c-axis orientation. In addition, double surface-textured AZO films were prepared using another new texture formation technique that completely removed, by post-etching, the pyramidal surface-textured AZO films previously prepared onto the initially deposited low resistivity AZO films; simultaneously, the surface of the low resistivity films was slightly etched. However, the obtained very high haze value in the range from the near ultraviolet to visible light in the scrambled egg-like surface-textured AZO films did not contribute significantly to the obtainable photovoltaic properties in the solar cells fabricated using the films. Significant light scattering properties as well as a low sheet resistance could be achieved in the double surface-textured AZO films. In addition, a significant improvement of external quantum efficiency in the range from the near ultraviolet to visible light was achieved in superstrate-type n-i-p μc-Si:H solar cells fabricated using a double surface-textured AZO film prepared under optimized conditions as the transparent electrode. - Highlights: • Double surface-textured AZO films prepared using a new texture formation technique • Extensive light scattering properties with low sheet resistance achieved in the double surface-textured AZO films • Improved external quantum efficiency of μc-Si:H solar cells using a double surface-textured AZO film

  7. Textured surface structures formed using new techniques on transparent conducting Al-doped zinc oxide films prepared by magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Minami, Tadatsugu [Optoelectronic Device System R& D Center, Kanazawa Institute of Technology, Nonoichi, Ishikawa 921-8501 (Japan); Miyata, Toshihiro, E-mail: tmiyata@neptune.kanazawa-it.ac.jp [Optoelectronic Device System R& D Center, Kanazawa Institute of Technology, Nonoichi, Ishikawa 921-8501 (Japan); Uozaki, Ryousuke [Optoelectronic Device System R& D Center, Kanazawa Institute of Technology, Nonoichi, Ishikawa 921-8501 (Japan); Sai, Hitoshi; Koida, Takashi [Research Center for Photovoltaics, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568 (Japan)

    2016-09-01

    Surface-textured Al-doped ZnO (AZO) films formed using two new techniques based on magnetron sputtering deposition were developed by optimizing the light scattering properties to be suitable for transparent electrode applications in thin-film silicon solar cells. Scrambled egg-like surface-textured AZO films were prepared using a new texture formation technique that post-etched pyramidal surface-textured AZO films prepared under deposition conditions suppressing c-axis orientation. In addition, double surface-textured AZO films were prepared using another new texture formation technique that completely removed, by post-etching, the pyramidal surface-textured AZO films previously prepared onto the initially deposited low resistivity AZO films; simultaneously, the surface of the low resistivity films was slightly etched. However, the obtained very high haze value in the range from the near ultraviolet to visible light in the scrambled egg-like surface-textured AZO films did not contribute significantly to the obtainable photovoltaic properties in the solar cells fabricated using the films. Significant light scattering properties as well as a low sheet resistance could be achieved in the double surface-textured AZO films. In addition, a significant improvement of external quantum efficiency in the range from the near ultraviolet to visible light was achieved in superstrate-type n-i-p μc-Si:H solar cells fabricated using a double surface-textured AZO film prepared under optimized conditions as the transparent electrode. - Highlights: • Double surface-textured AZO films prepared using a new texture formation technique • Extensive light scattering properties with low sheet resistance achieved in the double surface-textured AZO films • Improved external quantum efficiency of μc-Si:H solar cells using a double surface-textured AZO film.

  8. Effect of annealing on the superconducting and normal state properties of the doped multifilamentary Cu-Nb composite wires prepared by in situ technique

    International Nuclear Information System (INIS)

    Dubey, S.S.; Dheer, P.N.

    1999-01-01

    The effect of annealing on the superconducting and normal state properties of the Ga-, In-, Ti- and Zr-doped (1 wt%) Cu-Nb composite wires prepared by in situ technique have been investigated in this paper. The wires annealed at 700 C for 10 h and then quenched at room temperature, show a decrease in the superconducting transition temperature, T c , and increase in the transition width, ΔT. Doping of the Cu-Nb wires causes an increase in the normal state resistivity and hence the upper critical field, H C2 . This results in a significant increase of J c . Annealing of these doped samples decreases H C2 and J c . In the case of In- and Ga-doped samples J c shows a marginal improvement at lower field but decreases at higher field. Zr and Ti doping appears to be beneficial for the improved J c in these in situ materials. (orig.)

  9. Enhanced Electrical Conductivity of Molecularly p-Doped Poly(3-hexylthiophene) through Understanding the Correlation with Solid-State Order

    KAUST Repository

    Hynynen, Jonna; Kiefer, David; Yu, Liyang; Kroon, Renee; Munir, Rahim; Amassian, Aram; Kemerink, Martijn; Mü ller, Christian

    2017-01-01

    Molecular p-doping of the conjugated polymer poly(3-hexylthiophene) (P3HT) with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) is a widely studied model system. Underlying structure–property relationships are poorly understood because processing and doping are often carried out simultaneously. Here, we exploit doping from the vapor phase, which allows us to disentangle the influence of processing and doping. Through this approach, we are able to establish how the electrical conductivity varies with regard to a series of predefined structural parameters. We demonstrate that improving the degree of solid-state order, which we control through the choice of processing solvent and regioregularity, strongly increases the electrical conductivity. As a result, we achieve a value of up to 12.7 S cm–1 for P3HT:F4TCNQ. We determine the F4TCNQ anion concentration and find that the number of (bound + mobile) charge carriers of about 10–4 mol cm–3 is not influenced by the degree of solid-state order. Thus, the observed increase in electrical conductivity by almost 2 orders of magnitude can be attributed to an increase in charge-carrier mobility to more than 10–1 cm2 V–1 s–1. Surprisingly, in contrast to charge transport in undoped P3HT, we find that the molecular weight of the polymer does not strongly influence the electrical conductivity, which highlights the need for studies that elucidate structure–property relationships of strongly doped conjugated polymers.

  10. Enhanced Electrical Conductivity of Molecularly p-Doped Poly(3-hexylthiophene) through Understanding the Correlation with Solid-State Order

    KAUST Repository

    Hynynen, Jonna

    2017-10-11

    Molecular p-doping of the conjugated polymer poly(3-hexylthiophene) (P3HT) with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) is a widely studied model system. Underlying structure–property relationships are poorly understood because processing and doping are often carried out simultaneously. Here, we exploit doping from the vapor phase, which allows us to disentangle the influence of processing and doping. Through this approach, we are able to establish how the electrical conductivity varies with regard to a series of predefined structural parameters. We demonstrate that improving the degree of solid-state order, which we control through the choice of processing solvent and regioregularity, strongly increases the electrical conductivity. As a result, we achieve a value of up to 12.7 S cm–1 for P3HT:F4TCNQ. We determine the F4TCNQ anion concentration and find that the number of (bound + mobile) charge carriers of about 10–4 mol cm–3 is not influenced by the degree of solid-state order. Thus, the observed increase in electrical conductivity by almost 2 orders of magnitude can be attributed to an increase in charge-carrier mobility to more than 10–1 cm2 V–1 s–1. Surprisingly, in contrast to charge transport in undoped P3HT, we find that the molecular weight of the polymer does not strongly influence the electrical conductivity, which highlights the need for studies that elucidate structure–property relationships of strongly doped conjugated polymers.

  11. Highly doped semiconductor plasmonic nanoantenna arrays for polarization selective broadband surface-enhanced infrared absorption spectroscopy of vanillin

    Science.gov (United States)

    Barho, Franziska B.; Gonzalez-Posada, Fernando; Milla, Maria-Jose; Bomers, Mario; Cerutti, Laurent; Tournié, Eric; Taliercio, Thierry

    2017-11-01

    Tailored plasmonic nanoantennas are needed for diverse applications, among those sensing. Surface-enhanced infrared absorption (SEIRA) spectroscopy using adapted nanoantenna substrates is an efficient technique for the selective detection of molecules by their vibrational spectra, even in small quantity. Highly doped semiconductors have been proposed as innovative materials for plasmonics, especially for more flexibility concerning the targeted spectral range. Here, we report on rectangular-shaped, highly Si-doped InAsSb nanoantennas sustaining polarization switchable longitudinal and transverse plasmonic resonances in the mid-infrared. For small array periodicities, the highest reflectance intensity is obtained. Large periodicities can be used to combine localized surface plasmon resonances (SPR) with array resonances, as shown in electromagnetic calculations. The nanoantenna arrays can be efficiently used for broadband SEIRA spectroscopy, exploiting the spectral overlap between the large longitudinal or transverse plasmonic resonances and narrow infrared active absorption features of an analyte molecule. We demonstrate an increase of the vibrational line intensity up to a factor of 5.7 of infrared-active absorption features of vanillin in the fingerprint spectral region, yielding enhancement factors of three to four orders of magnitude. Moreover, an optimized readout for SPR sensing is proposed based on slightly overlapping longitudinal and transverse localized SPR.

  12. Highly doped semiconductor plasmonic nanoantenna arrays for polarization selective broadband surface-enhanced infrared absorption spectroscopy of vanillin

    Directory of Open Access Journals (Sweden)

    Barho Franziska B.

    2017-11-01

    Full Text Available Tailored plasmonic nanoantennas are needed for diverse applications, among those sensing. Surface-enhanced infrared absorption (SEIRA spectroscopy using adapted nanoantenna substrates is an efficient technique for the selective detection of molecules by their vibrational spectra, even in small quantity. Highly doped semiconductors have been proposed as innovative materials for plasmonics, especially for more flexibility concerning the targeted spectral range. Here, we report on rectangular-shaped, highly Si-doped InAsSb nanoantennas sustaining polarization switchable longitudinal and transverse plasmonic resonances in the mid-infrared. For small array periodicities, the highest reflectance intensity is obtained. Large periodicities can be used to combine localized surface plasmon resonances (SPR with array resonances, as shown in electromagnetic calculations. The nanoantenna arrays can be efficiently used for broadband SEIRA spectroscopy, exploiting the spectral overlap between the large longitudinal or transverse plasmonic resonances and narrow infrared active absorption features of an analyte molecule. We demonstrate an increase of the vibrational line intensity up to a factor of 5.7 of infrared-active absorption features of vanillin in the fingerprint spectral region, yielding enhancement factors of three to four orders of magnitude. Moreover, an optimized readout for SPR sensing is proposed based on slightly overlapping longitudinal and transverse localized SPR.

  13. Chemisorption of a hydrogen adatom on metal doped α-Zr (0 0 0 1 surfaces in a vacuum and an implicit solvation environment

    Directory of Open Access Journals (Sweden)

    Cheng Zeng

    2017-12-01

    Full Text Available First-principles calculations have been carried out to investigate the adsorption of a hydrogen adatom on 24 metal doped α-Zr (0 0 0 1 surfaces in both a vacuum and an implicit solvation environment. The dopant are the elements in the 4th and 5th periods in the periodic table. Doping elements at the tail of the 4th and 5th periods can significantly reduce the hydrogen pickup in a vacuum environment. A weighted d-band center theory is used to analyze the doping effect. On the other hand, the hydrogen adsorption energies in water are relatively lower for all doped slabs and the surface adsorption of hydrogen adatom is stronger than that in a vacuum environment, especially, for the slabs with doping elements at the tail of the 4th and 5th periods. In the solvation environment, electronegativity difference affects the adsorption. Doping elements Ag, Ga, Ge, Sn, and Sb can reduce the hydrogen pickup in vacuum, while Ag and Cu can reduce the hydrogen pickup of the zirconium alloys in solvent environment.

  14. Spin-rotation symmetry breaking and triplet superconducting state in doped topological insulator CuxBi2Se3

    Science.gov (United States)

    Zheng, Guo-Qing

    Spontaneous symmetry breaking is an important concept for understanding physics ranging from the elementary particles to states of matter. For example, the superconducting state breaks global gauge symmetry, and unconventional superconductors can break additional symmetries. In particular, spin rotational symmetry is expected to be broken in spin-triplet superconductors. However, experimental evidence for such symmetry breaking has not been obtained so far in any candidate compounds. We report 77Se nuclear magnetic resonance measurements which showed that spin rotation symmetry is spontaneously broken in the hexagonal plane of the electron-doped topological insulator Cu0.3Bi2Se3 below the superconducting transition temperature Tc =3.4 K. Our results not only establish spin-triplet (odd parity) superconductivity in this compound, but also serve to lay a foundation for the research of topological superconductivity (Ref.). We will also report the doping mechanism and superconductivity in Sn1-xInxTe.

  15. Electrochemical Biosensor Based on Boron-Doped Diamond Electrodes with Modified Surfaces

    OpenAIRE

    Yu, Yuan; Zhou, Yanli; Wu, Liangzhuan; Zhi, Jinfang

    2012-01-01

    Boron-doped diamond (BDD) thin films, as one kind of electrode materials, are superior to conventional carbon-based materials including carbon paste, porous carbon, glassy carbon (GC), carbon nanotubes in terms of high stability, wide potential window, low background current, and good biocompatibility. Electrochemical biosensor based on BDD electrodes have attracted extensive interests due to the superior properties of BDD electrodes and the merits of biosensors, such as specificity, sensitiv...

  16. n-type diamond growth by phosphorus doping on (0 0 1)-oriented surface

    International Nuclear Information System (INIS)

    Kato, Hiromitsu; Makino, Toshiharu; Yamasaki, Satoshi; Okushi, Hideyo

    2007-01-01

    The properties of phosphorus incorporation for n-type doping of diamond are discussed and summarized. Doping of (0 0 1)-oriented diamond is introduced and compared with results achieved on (1 1 1) diamond. This review describes detailed procedures and conditions of plasma-enhanced chemical vapour deposition (CVD) growth and characteristics of electrical properties of phosphorus-doped diamond. The phosphorus incorporation was characterized by SIMS analysis including mapping. n-type conductivity is evaluated by Hall-effect measurements over a temperature regime of 300-1000 K. The crystal perfection of (0 0 1)-oriented n-type diamond is also evaluated by x-ray diffraction, Raman spectroscopy, reflection high-energy electron diffraction and cathodoluminescence analyses. The results show that phosphorus atoms are incorporated into the diamond network during (0 0 1) CVD diamond growth and that phosphorus acts as a donor as in (1 1 1)-oriented diamond. This result eliminates the restriction on substrate orientation, which had previously created a bottleneck in the development of diamond electronic devices. (review article)

  17. Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics.

    Science.gov (United States)

    Wang, Z F; Liu, Feng

    2015-07-10

    Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1/3 monolayer halogen coverage. The sp(3) dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (∼10(6)  m/s) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

  18. Luminescence in colloidal Mn2+-doped semiconductor nanocrystals

    International Nuclear Information System (INIS)

    Beaulac, Remi; Archer, Paul I.; Gamelin, Daniel R.

    2008-01-01

    Recent advances in nanocrystal doping chemistries have substantially broadened the variety of photophysical properties that can be observed in colloidal Mn 2+ -doped semiconductor nanocrystals. A brief overview is provided, focusing on Mn 2+ -doped II-VI semiconductor nanocrystals prepared by direct chemical synthesis and capped with coordinating surface ligands. These Mn 2+ -doped semiconductor nanocrystals are organized into three major groups according to the location of various Mn 2+ -related excited states relative to the energy gap of the host semiconductor nanocrystals. The positioning of these excited states gives rise to three distinct relaxation scenarios following photoexcitation. A brief outlook on future research directions is provided. - Graphical abstract: Mn 2+ -doped semiconductor nanocrystals are organized into three major groups according to the location of various Mn 2+ -related excited states relative to the energy gap of the host semiconductor nanocrystals. The positioning of these excited states gives rise to three distinct relaxation scenarios following photoexcitation

  19. Three-dimensional nitrogen and boron co-doped graphene for high-performance all-solid-state supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Zhong-Shuai; Chen, Long; Sun, Yi; Muellen, Klaus [Max-Planck-Institut fuer Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); Winter, Andreas; Turchanin, Andrey [Universitaet Bielefeld, Fakultaet fuer Physik, Physik Supramolekularer Systeme und Oberflaechen, Universitaetsstr. 25D, 33615 Bielefeld (Germany); Feng, Xinliang [Max-Planck-Institut fuer Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, 200240, Shanghai (China)

    2012-09-25

    A simplified prototype device of high-performance all-solid-state supercapacitors (ASSSs) based on 3D nitrogen and boron co-doped monolithic graphene aerogels (BN-GAs) is demonstrated for the first time. The resulting ASSSs show high specific capacitance, good rate capability, and enhanced energy density or power density. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Gold nanoparticles assisted surface enhanced Raman scattering and luminescence of Er{sup 3+} doped zinc–sodium tellurite glass

    Energy Technology Data Exchange (ETDEWEB)

    Ghoshal, S.K.; Awang, Asmahani, E-mail: asmahani_awang@yahoo.com; Sahar, M.R.; Arifin, R.

    2015-03-15

    Significant enhancements in Er{sup 3+} luminescence and Raman intensity mediated via surface plasmon resonance (SPR) of gold (Au) nanoparticles (NPs) embedded zinc–sodium tellurite glass are reported. The observed modifications in the physical and spectroscopic properties are ascribed to the alterations in the glass network. XRD pattern confirms the amorphous nature of prepared glass sample. UV–vis-NIR spectra reveal seven absorption bands. Surface plasmon band is evidenced around 626–630 nm. TEM images manifest the growth of non-spherical Au NPs with average diameter between ∼7.2 nm and 8.6 nm. The visible up-conversion (UC) emission for all samples under 779 nm excitation exhibits three bands centered at 503 nm (green), 546 (green) and 637 nm (red) ascribed to {sup 2}H{sub 11/2}→{sup 4}I{sub 15/2}, {sup 4}S{sub 3/2}→{sup 4}I{sub 15/2} and {sup 4}F{sub 9/2}→{sup 4}I{sub 15/2} transitions. Glass sample with 0.4 mol% Au displaying the highest luminescence intensity with enhancement factor of 3.85 and 3.56 for green bands, and 7.61 for the red band is ascribed to the NPs local field enhancement and energy transfer between rare earth (RE) ions and NPs. FTIR spectra show the vibration of ZnO{sub 4} bonds, Te-O bond in TeO{sub 3} (tp) and TeO{sub 4} (tbp) units and the hydroxyl groups. Raman spectra demonstrate the presence of Er-O and Zn-O bond, anti-symmetric vibrations of Te-O-Te bonds and stretching modes of non-bonded oxygen exists in TeO{sub 3} and TeO{sub 3+1} unit. The amplifications in Raman signals by a factor of 1.62, 1.58, 1.64, 1.68 and 1.69 corresponding to the peak centered at 262 cm{sup −1}, 382 cm{sup −1}, 521 cm{sup −1}, 670 cm{sup −1} and 725 cm{sup −1} are attributed to the contribution of a surface plasmon generating a strong, localized and secondary field. We assert that our glass compositions offer favorable potential to develop solid state lasers and other versatile nanophotonic devices. - Highlights: • Gold

  1. Influence of deposition time on the surface morphology and photoelectrochemical properties of copper doped titania nanotubes prepared by electrodeposition

    Science.gov (United States)

    Mahmud, M. A.; Chin, L. Y.; Khusaimi, Z.; Zainal, Z.

    2018-05-01

    A great attention has focused on Cu doped titania nanotubes (Cu/TiNT) as a versatile advance material since it can be employed in various promising technological applications. The current study reported on the influence of various deposition times on the surface morphology and photoelectrochemical properties of Cu/TiNT via electrodeposition technique. Cu loaded on the TiNT surface was detected with prolonged deposition time. For photoelectrochemical (PEC) measurement, the highest responsive photocurrent density was obtained at 20 minutes with 54.3 µA/cm2. Too long duration (40 mins) resulted in poor performance of Cu/TiNT as only 22.6 µA/cm2 of photocurrent being generated.

  2. Incorporation of surface plasmon resonance with novel valinomycin doped chitosan-graphene oxide thin film for sensing potassium ion

    Science.gov (United States)

    Zainudin, Afiq Azri; Fen, Yap Wing; Yusof, Nor Azah; Al-Rekabi, Sura Hmoud; Mahdi, Mohd Adzir; Omar, Nur Alia Sheh

    2018-02-01

    In this study, the combination of novel valinomycin doped chitosan-graphene oxide (C-GO-V) thin film and surface plasmon resonance (SPR) system for potassium ion (K+) detection has been developed. The novel C-GO-V thin film was deposited on the gold surface using spin coating technique. The system was used to monitor SPR signal for K+ in solution with and without C-GO-V thin film. The K+ can be detected by measuring the SPR signal when C-GO-V thin film is exposed to K+ in solution. The sensor produces a linear response for K+ ion up to 100 ppm with sensitivity and detection limit of 0.00948° ppm- 1 and 0.001 ppm, respectively. These results indicate that the C-GO-V film is high potential as a sensor element for K+ that has been proved by the SPR measurement.

  3. Surface modification by vacuum annealing for field emission from heavily phosphorus-doped homoepitaxial (1 1 1) diamond

    International Nuclear Information System (INIS)

    Yamada, Takatoshi; Nebel, Christoph E.; Somu, Kumaragurubaran; Shikata, Shin-ichi

    2008-01-01

    The relationship between field emission properties and C 1s core level shifts of heavily phosphorus-doped homoepitaxial (1 1 1) diamond is investigated as a function of annealing temperature in order to optimize surface carbon bonding configurations for device applications. A low field emission threshold voltage is observed from surfaces annealed at 800 deg. C for hydrogen-plasma treated surface, while a low field emission threshold voltage of wet-chemical oxidized surface is observed after annealing at 900 deg. C. The C 1s core level by X-ray photoelectron spectroscopy (XPS) showed a shoulder peak at 1 eV below the main peak over 800 and 900 deg. C annealing temperature for hydrogen-plasma treated and wet-chemical oxidized surfaces, respectively. When the shoulder peak intensity is less than 10% of the main peak intensity, lower threshold voltages are observed. This is due to the carbon-reconstruction which gives rise to a small positive electron affinity. By increasing annealing temperature, the shoulder peak ratios also increase, which indicates that a surface graphitization takes place. This leads to higher threshold voltages

  4. The effect of Ce doping on the structure, surface morphology and magnetic properties of Dy doped-yttrium iron garnet films prepared by a sol–gel method

    Energy Technology Data Exchange (ETDEWEB)

    Arsad, A.Z.; Ibrahim, N.B., E-mail: baayah@ukm.edu.my

    2016-07-15

    Cerium substitute Y{sub 2.8−x}Dy{sub 0.2}Ce{sub x}Fe{sub 5}O{sub 12} (x=0, 0.2, 0.25, 0.3, 0.35) films have been prepared on quartz substrates by a simple sol–gel method and followed by a spin-coating technique. The crystalline structures, surface and magnetic properties of the films has been investigated by an X-ray diffractometer (XRD), a field emission scanning electron microscope (FESEM), an atomic force microscope (AFM) and a vibrating sample magnetometer (VSM). The XRD analysis revealed that the films have garnet structure. The lattice parameter increased as Ce content was increased up to 0.25 due to the Ce{sup 3+} ions completely substituted for Y{sup 3+} ions. For films x≥0.3, the lattice parameter decreased. The FESEM results showed that the average grains were small, ranging from 11 to 14 nm and the thickness of films increased with the increment of Ce contents. VSM results for both in and out-plane magnetic measurement showed the film with x=0 has the highest saturation magnetization (M{sub s}) values. With the increment of Ce contents, the M{sub s} of films decreased due to the substitution of Ce{sup 3+}, Dy{sup 3+} ions in the c-site. For films x≥0.3 the reduction of M{sub s} values was due to the presence of CeO{sub 2} in the film. The films with x=0–0.25 exhibited increases in H{sub c} values. The improvement of coercivity value, small grain size and high crystalline structure of film with x=0.25 has a potential to be used in magneto optical (MO) memory storage applications. - Highlights: • Ce-doped Y{sub 2.8−x}Dy{sub 0.2}Ce{sub x}Fe{sub 5}O{sub 12} films were prepared by the sol–gel method. • The solubility limit of Ce{sup 3+} ions in the film was x=0.25. • The average grain size ranging from 11 to 14 nm with the increment of Ce doping. • Increasing Ce contents degrades the saturation of magnetization of films. • Increasing Ce contents improve the coercivity of films.

  5. Effect of modulation p-doping level on multi-state lasing in InAs/InGaAs quantum dot lasers having different external loss

    Science.gov (United States)

    Korenev, V. V.; Savelyev, A. V.; Maximov, M. V.; Zubov, F. I.; Shernyakov, Yu. M.; Kulagina, M. M.; Zhukov, A. E.

    2017-09-01

    The influence of the modulation p-doping level on multi-state lasing in InAs/InGaAs quantum dot (QD) lasers is studied experimentally for devices having various external losses. It is shown that in the case of short cavities (high external loss), there is an increase in the lasing power component corresponding to the ground-state optical transitions of QDs as the p-doping level grows. However, in the case of long cavities (small external loss), higher dopant concentrations may have an opposite effect on the output power. Based on these observations, an optimal design of laser geometry and an optimal doping level are discussed.

  6. Nitrogen diffusion in near-surface range of ion doped molybdenum

    CERN Document Server

    Zamalin, E Y

    2001-01-01

    The dynamics of change in nitrogen near-the-surface concentration in the Mo ion-alloyed monocrystalline foil is studied through the Auger-electron spectroscopy and the secondary ion mass spectrometry. The implantation dose constituted 5 x 10 sup 1 sup 7 ion/cm sup 2 and the implantation energy equaled 50 and 100 keV. The samples diffusion annealing was performed at the temperature of 800-900 deg C. The evaluation of the nitrogen diffusion coefficient indicates the values by 3-5 orders lesser than the diffusion coefficient in the nitrogen solid-state solution in the molybdenum. At the same time the molybdenum self-diffusion coefficient value is by 3-5 orders lesser as compared to the obtained value. The supposition is made, the the surplus nitrogen relative to the solubility limit is deposited on the radiation defects and in the process of the diffusion annealing it nitrates together with them

  7. Modulation Doping of Silicon using Aluminium-induced Acceptor States in Silicon Dioxide

    OpenAIRE

    K?nig, Dirk; Hiller, Daniel; Gutsch, Sebastian; Zacharias, Margit; Smith, Sean

    2017-01-01

    All electronic, optoelectronic or photovoltaic applications of silicon depend on controlling majority charge carriers via doping with impurity atoms. Nanoscale silicon is omnipresent in fundamental research (quantum dots, nanowires) but also approached in future technology nodes of the microelectronics industry. In general, silicon nanovolumes, irrespective of their intended purpose, suffer from effects that impede conventional doping due to fundamental physical principles such as out-diffusi...

  8. Solid-State Thin-Film Supercapacitors with Ultrafast Charge/Discharge Based on N-Doped-Carbon-Tubes/Au-Nanoparticles-Doped-MnO2 Nanocomposites.

    Science.gov (United States)

    Lv, Qiying; Wang, Shang; Sun, Hongyu; Luo, Jun; Xiao, Jian; Xiao, JunWu; Xiao, Fei; Wang, Shuai

    2016-01-13

    Although carbonaceous materials possess long cycle stability and high power density, their low-energy density greatly limits their applications. On the contrary, metal oxides are promising pseudocapacitive electrode materials for supercapacitors due to their high-energy density. Nevertheless, poor electrical conductivity of metal oxides constitutes a primary challenge that significantly limits their energy storage capacity. Here, an advanced integrated electrode for high-performance pseudocapacitors has been designed by growing N-doped-carbon-tubes/Au-nanoparticles-doped-MnO2 (NCTs/ANPDM) nanocomposite on carbon fabric. The excellent electrical conductivity and well-ordered tunnels of NCTs together with Au nanoparticles of the electrode cause low internal resistance, good ionic contact, and thus enhance redox reactions for high specific capacitance of pure MnO2 in aqueous electrolyte, even at high scan rates. A prototype solid-state thin-film symmetric supercapacitor (SSC) device based on NCTs/ANPDM exhibits large energy density (51 Wh/kg) and superior cycling performance (93% after 5000 cycles). In addition, the asymmetric supercapacitor (ASC) device assembled from NCTs/ANPDM and Fe2O3 nanorods demonstrates ultrafast charge/discharge (10 V/s), which is among the best reported for solid-state thin-film supercapacitors with both electrodes made of metal oxide electroactive materials. Moreover, its superior charge/discharge behavior is comparable to electrical double layer type supercapacitors. The ASC device also shows superior cycling performance (97% after 5000 cycles). The NCTs/ANPDM nanomaterial demonstrates great potential as a power source for energy storage devices.

  9. Drastic reduction in the surface recombination velocity of crystalline silicon passivated with catalytic chemical vapor deposited SiNx films by introducing phosphorous catalytic-doped layer

    International Nuclear Information System (INIS)

    Thi, Trinh Cham; Koyama, Koichi; Ohdaira, Keisuke; Matsumura, Hideki

    2014-01-01

    We improve the passivation property of n-type crystalline silicon (c-Si) surface passivated with a catalytic chemical vapor deposited (Cat-CVD) Si nitride (SiN x ) film by inserting a phosphorous (P)-doped layer formed by exposing c-Si surface to P radicals generated by the catalytic cracking of PH 3 molecules (Cat-doping). An extremely low surface recombination velocity (SRV) of 2 cm/s can be achieved for 2.5 Ω cm n-type (100) floating-zone Si wafers passivated with SiN x /P Cat-doped layers, both prepared in Cat-CVD systems. Compared with the case of only SiN x passivated layers, SRV decreases from 5 cm/s to 2 cm/s. The decrease in SRV is the result of field effect created by activated P atoms (donors) in a shallow P Cat-doped layer. Annealing process plays an important role in improving the passivation quality of SiN x films. The outstanding results obtained imply that SiN x /P Cat-doped layers can be used as promising passivation layers in high-efficiency n-type c-Si solar cells.

  10. Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

    Science.gov (United States)

    Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian

    2016-09-29

    In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.

  11. Tritium contaminated surface monitoring with a solid - state device

    International Nuclear Information System (INIS)

    Culcer, Mihai; Iliescu, Mariana; Curuia, Marian; Enache, Adrian; Stefanescu, Ioan; Ducu, Catalin; Malinovschi, Viorel

    2004-01-01

    The low energy of betas makes tritium difficult to detect. However, there are several methods used in tritium detection, such as liquid scintillation and ionization chambers. Tritium on or near a surface can be also detected using proportional counters and, recently, solid state devices. The paper presents our results in the design and achievement of a surface tritium monitor using a PIN photodiode as a solid state charged particle detector to count betas emitted from the surface. That method allows continuous, real-time and non-destructively measuring of tritium. (authors)

  12. Deformation and stability of surface states in Dirac semimetals

    Science.gov (United States)

    Kargarian, Mehdi; Lu, Yuan-Ming; Randeria, Mohit

    2018-04-01

    The unusual surface states of topological semimetals have attracted a lot of attention. Recently, we showed [Proc. Natl. Acad. Sci. USA 113, 8648 (2016), 10.1073/pnas.1524787113] that for a Dirac semimetal (DSM) arising from band inversion, such as Na3Bi and Cd3As2 , the expected double Fermi arcs on the surface are not topologically protected. Quite generally, the arcs deform into states similar to those on the surface of a strong topological insulator. Here we address two questions related to deformation and stability of surface states in DSMs. First, we discuss why certain perturbations, no matter how large, are unable to destroy the double Fermi arcs. We show that this is related to a certain extra (particle-hole) symmetry, which is nongeneric in materials. Second, we discuss situations in which the surface states are completely destroyed without breaking any symmetry or impacting the bulk Dirac nodes. We are not aware of any experimental or density functional theory (DFT) candidates for a material which is a bulk DSM without any surface states, but our results clearly show that this is possible.

  13. Rashba split surface states in BiTeBr

    International Nuclear Information System (INIS)

    Eremeev, S V; Rusinov, I P; Nechaev, I A; Chulkov, E V

    2013-01-01

    Within density functional theory, we study the bulk band structure and surface states of BiTeBr. We consider both ordered and disordered phases, which differ in atomic order in the Te–Br sublattice. On the basis of relativistic ab initio calculations, we show that the ordered BiTeBr is energetically preferable as compared with the disordered one. We demonstrate that both Te- and Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant spin–orbit splitting. The Te-terminated surface-state spin splitting has Rashba-type behavior with the coupling parameter α R ∼ 2 eVÅ. (paper)

  14. Controlling physical and chemical bonding of polypyrrole to boron doped diamond by surface termination

    Czech Academy of Sciences Publication Activity Database

    Ukraintsev, Egor; Kromka, Alexander; Janssen, W.; Haenen, K.; Rezek, Bohuslav

    2013-01-01

    Roč. 8, č. 1 (2013), s. 17-26 ISSN 1452-3981 R&D Projects: GA ČR(CZ) GBP108/12/G108; GA ČR GAP108/12/0996 Grant - others:EU FP7 Marie Curie ITN MATCON(XE) PITN-GA-2009-238201 Institutional support: RVO:68378271 Keywords : electrochemical growth * polypyrrole * boron doped diamond * scanning electron microscopy * Kelvin force microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.956, year: 2013 http://www.electrochemsci.org/papers/vol8/80100017.pdf

  15. Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness

    International Nuclear Information System (INIS)

    Kaushal, Ashok K.; Mullick, Shanta; Ahluwalia, P. K.

    2011-01-01

    Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.

  16. Exotic Paired States with Anisotropic Spin-Dependent Fermi Surfaces

    International Nuclear Information System (INIS)

    Feiguin, Adrian E.; Fisher, Matthew P. A.

    2009-01-01

    We propose a model for realizing exotic paired states in cold Fermi gases by using a spin-dependent optical lattice to engineer mismatched Fermi surfaces for each hyperfine species. The BCS phase diagram shows a stable paired superfluid state with coexisting pockets of momentum space with gapless unpaired carriers, similar to the Sarma state in polarized mixtures, but in our case the system is unpolarized. We propose the possible existence of an exotic 'Cooper-pair Bose-metal' phase, which has a gap for single fermion excitations but gapless and uncondensed 'Cooper-pair' excitations residing on a 'Bose surface' in momentum space.

  17. On the changing electrochemical behaviour of boron-doped diamond surfaces with time after cathodic pre-treatments

    International Nuclear Information System (INIS)

    Salazar-Banda, Giancarlo R.; Andrade, Leonardo S.; Nascente, Pedro A.P.; Pizani, Paulo S.; Rocha-Filho, Romeu C.; Avaca, Luis A.

    2006-01-01

    The electrochemical response of the Fe(CN) 6 4-/3- redox couple on boron-doped diamond (BDD) electrodes immediately after a cathodic pre-treatment and as a function of time exposed to atmospheric conditions is reported here. After this pre-treatment the electrode exhibits a changing electrochemical behaviour, i.e., a loss of the reversibility for the Fe(CN) 6 4-/3- redox couple as a function of time. Raman spectra showed that neither important bulk structural differences nor significant changes in the sp 2 /sp 3 content are introduced into the BDD film by the cathodic pre-treatment indicating that H-terminated sites play an important role in the electrochemical response of the electrodes. Thus, the changing behaviour reflected by a progressive decrease of the electron transfer rate with time must be associated to a loss of superficial hydrogen due to oxidation by oxygen from the air, as confirmed by X-ray photoelectron spectroscopy (XPS) analysis. Moreover, it was also found that this changing electrochemical behaviour is inversely proportional to the doping level, suggesting that the boron content has a stabilizing effect on the H-terminated surface. These results point out the necessity of doing the cathodic pre-treatment just before the electrochemical experiments are carried out in order to ensure reliable and reproducible results

  18. An All-Solid-State pH Sensor Employing Fluorine-Terminated Polycrystalline Boron-Doped Diamond as a pH-Insensitive Solution-Gate Field-Effect Transistor.

    Science.gov (United States)

    Shintani, Yukihiro; Kobayashi, Mikinori; Kawarada, Hiroshi

    2017-05-05

    A fluorine-terminated polycrystalline boron-doped diamond surface is successfully employed as a pH-insensitive SGFET (solution-gate field-effect transistor) for an all-solid-state pH sensor. The fluorinated polycrystalline boron-doped diamond (BDD) channel possesses a pH-insensitivity of less than 3mV/pH compared with a pH-sensitive oxygenated channel. With differential FET (field-effect transistor) sensing, a sensitivity of 27 mv/pH was obtained in the pH range of 2-10; therefore, it demonstrated excellent performance for an all-solid-state pH sensor with a pH-sensitive oxygen-terminated polycrystalline BDD SGFET and a platinum quasi-reference electrode, respectively.

  19. Periodic DFT study of acidic trace atmospheric gas molecule adsorption on Ca- and Fe-doped MgO(001) surface basic sites.

    Science.gov (United States)

    Baltrusaitis, Jonas; Hatch, Courtney; Orlando, Roberto

    2012-08-02

    The electronic properties of undoped and Ca- or Fe-doped MgO(001) surfaces, as well as their propensity toward atmospheric acidic gas (CO2, SO2, and NO2) uptake was investigated with an emphasis on gas adsorption on the basic MgO oxygen surface sites, O(surf), using periodic density functional theory (DFT) calculations. Adsorption energy calculations show that MgO doping will provide stronger interactions of the adsorbate with the O(surf) sites than the undoped MgO for a given adsorbate molecule. Charge transfer from the iron atom in Fe-doped MgO(001) to NO2 was shown to increase the binding interaction between adsorbate by an order of magnitude, when compared to that of undoped and Ca-doped MgO(001) surfaces. Secondary binding interactions of adsorbate oxygen atoms were observed with surface magnesium sites at distances close to those of the Mg-O bond within the crystal. These interactions may serve as a preliminary step for adsorption and facilitate further adsorbate transformations into other binding configurations. Impacts on global atmospheric chemistry are discussed as these adsorption phenomena can affect atmospheric gas budgets via altered partitioning and retention on mineral aerosol surfaces.

  20. Nitrogen-doped ordered mesoporous carbon with a high surface area, synthesized through organic-inorganic coassembly, and its application in supercapacitors.

    Science.gov (United States)

    Song, Yanfang; Li, Li; Wang, Yonggang; Wang, Congxiao; Guo, Zaipin; Xia, Yongyao

    2014-07-21

    A new nitrogen-doped ordered mesoporous carbon (N-doped OMC) is synthesized by using an organic-inorganic coassembly method, in which resol is used as the carbon precursor, dicyandiamide as the nitrogen precursor, silicate oligomers as the inorganic precursors, and F127 as the soft template. The N-doped OMC possesses a surface area as high as 1374 m(2)  g(-1) and a large pore size of 7.4 nm. As an electrode material for supercapacitors, the obtained carbon exhibits excellent cycling stability and delivers a reversible specific capacitance as high as 308 F g(-1) in 1 mol L(-1) H(2)SO(4) aqueous electrolyte, of which 58 % of the capacity is due to pseudo-capacitance. The large specific capacitance is attributed to proper pore size distributions, large surface area, and high nitrogen content. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Charge-transfer state excitation as the main mechanism of the photodarkening process in ytterbium-doped aluminosilicate fibres

    Energy Technology Data Exchange (ETDEWEB)

    Bobkov, K K; Rybaltovsky, A A; Vel' miskin, V V; Likhachev, M E; Bubnov, M M; Dianov, E M [Fiber Optics Research Center, Russian Academy of Sciences, Moscow (Russian Federation); Umnikov, A A; Gur' yanov, A N; Vechkanov, N N [G.G.Devyatykh Institute of Chemistry of High-Purity Substances, Russian Academy of Sciences, Nizhnii Novgorod (Russian Federation); Shestakova, I A [Open Joint-Stock Company M.F. Stel' makh Polyus Research Institute, Moscow (Russian Federation)

    2014-12-31

    We have studied photodarkening in ytterbium-doped fibre preforms with an aluminosilicate glass core. Analysis of their absorption and luminescence spectra indicates the formation of stable Yb{sup 2+} ions in the glass network under IR laser pumping at a wavelength λ = 915 nm and under UV irradiation with an excimer laser (λ = 193 nm). We have performed comparative studies of the luminescence spectra of the preforms and crystals under excitation at a wavelength of 193 nm. The mechanism behind the formation of Yb{sup 2+} ions and aluminium – oxygen hole centres (Al-OHCs), common to ytterbium-doped YAG crystals and aluminosilicate glass, has been identified: photoinduced Yb{sup 3+} charge-transfer state excitation. (optical fibres)

  2. Path-integral calculation of the density of states in heavily doped strongly compensated semiconductors in a magnetic field

    International Nuclear Information System (INIS)

    Koinov, Z.G.; Yanchev, I.Y.

    1981-09-01

    The density of states in heavily doped strongly compansated semiconductors in a strong magnetic field is calculated by using the path-integral method. The case is considered when correlation exists in the impurity positions owing to the Coulomb interactions between the charged donors and acceptors during the high-temperature preparation of the samples. The semiclassical formula is rederived and corrections to it due to the long-range character of the potential and its short-range fluctuations are obtained. The density of states in the tail is studied and analytical results are given in the classical and quantum cases. (author)

  3. Surface polyPEGylation of Eu3+ doped luminescent hydroxyapatite nanorods through the combination of ligand exchange and metal free surface initiated atom transfer radical polymerization

    Science.gov (United States)

    Zeng, Guangjian; Liu, Meiying; Heng, Chunning; Huang, Qiang; Mao, Liucheng; Huang, Hongye; Hui, Junfeng; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

    2017-03-01

    The Eu3+ doped luminescent hydroxyapatite (HAp) nanorods with uniform size and morphology can be synthesized by hydrothermal route. However, these HAp nanorods are coated by hydrophobic oleylamine, which makes them difficult to be dispersed in aqueous solution and impede their biomedical applications. In this work, Eu3+ doped luminescent polymers functionalized HAp nanorods were prepared through the combination of ligand exchange reaction and metal free surface initiated atom transfer radical polymerization (ATRP) method. In this procedure, the amino group functionalized HAp nanorods were first prepared by ligand exchange reaction using adenosine monophosphate (AMP) as ligand. Then the Br-containing initiators (HAp-Br) were introduced onto the surface of HAp-AMP nanorods through the amidation reaction. Finally, polymers functionalized HAp nanorods were prepared by metal free ATRP method using poly(ethylene glycol) methacrylate (PEGMA) as monomer and 10-phenylphenothiazine (PTH) as organic photocatalyst. The properties of these obtained HAp nanocomposites (HAP-polyPEGMA nanorods) were characterized by means of transmission electron microscopy, Fourier transformed infrared spectroscopy, X-ray photoelectron spectroscopy and thermogravimetric analysis in detail. The cell imaging of these HAP-polyPEGMA nanorods was examined using laser scanning confocal microscope to evaluate their biomedical applications. We demonstrated for the first time that hydrophobic luminescent HAp nanorods can be functionalized with polyPEGMA through the combination of ligand exchange reaction and metal free surface initiated ATRP. As compared with the traditional ATRP, the metal free ATRP can overcome the toxic and fluorescence quenching effects of metal catalysts such as copper ions. More importantly, the strategy described in this work should also be utilized for fabrications of many other luminescent polymer nanocomposites due to its good monomer adoptability.

  4. Effect of high pressure on the ground state of low doped manganite: a neutron diffraction and transport property study

    International Nuclear Information System (INIS)

    Ghosh, Barnali; Raychaudhuri, A.K.; Siruguri, V.; Chatterji, Tapan; Thomas, Hansen; Mukovskii, Ya.M.

    2013-01-01

    Depending on the doping level x the hole-doped perovskite manganites, like La 1-x Ca x MnO 3 exhibit a wide variety of physical properties. These compounds lead their high sensitivity to thermodynamic variables like temperature, magnetic field and pressure. The structure can be modified by application of high pressure and it can be quantitative that changes the Mn-O bond length and increases the Mn-O-Mn bond angle. In some cases the pressure can bring about qualitative changes in the structure like change in the lattice structure or its symmetry. These structural factors can contribute to the effective electron transfer integral between Mn ions, which in turn can change the magnetic exchanges like the double-exchange as well as the super exchange. For low hole doping (0.15 ≤ x ≤ 0.2), the low temperature ground state is Ferromagnetic insulator (FMI). The ground state of the low doped manganite La 0.79 Ca 0.21 MnO 3 (LCMO) can be destabilized by external hydrostatic pressure. We have done electrical transport measurement under magnetic field and under high pressure for understanding the nature of the resulting phase(s) that arise from the applied hydrostatic pressure. We find that the metallic phase so created under pressure has no appreciable magnetoresistance (MR). The Neutron powder diffraction measurement done on D20 diffractometer (λ=1.3Å) at ILL, Grenoble, France under high hydrostatic pressure up to 10GPa shows that the pressure leads to a change in the crystal structure from orthorhombic to rhombohedral and leading to a change in magnetic structure also; and most importantly collapse of the magnetic moment to a low value that leads to absence of any MR under pressure induced metallization. (author)

  5. Surface energy effects on the stability of anatase and rutile nanocrystals: A predictive diagram for Nb_2O_5-doped-TiO_2

    International Nuclear Information System (INIS)

    Silva, Andre Luiz da; Hotza, Dachamir; Castro, Ricardo H.R.

    2017-01-01

    Highlights: • Anatase-rutile phase transition diagram was built for nano Nb_2O_5-doped-TiO_2. • Nb_2O_5-doping postpones the anatase-to-rutile transition. • The stability crossover for TiO_2 was 17.3 nm, for 2 mol% Nb_2O_5-doped-TiO_2 ∼30 nm. • The surface energy for Nb_2O_5-doped-TiO_2 decreases systematically with Nb concentration. - Abstract: Titanium dioxide nanoparticles are widely used for photocatalysis, and the relative fraction of titanium dioxide polymorph, i.e. anatase, rutile, or brookite, significantly affects the final performance. Even though conventional phase diagrams indicate a higher stability for the rutile polymorph, it is well established that nanosizes benefit the anatase phase due to its smaller surface energy. However, doping elements are expected to change this behavior, once changes in both surface and bulk energies may occur. Nb_2O_5 is commonly added to TiO_2 to allow property control. However, the effect of niobium on the relative stability of anatase and rutile phases is not well understood from the thermodynamic point of view. The objective of this work was to build a new predictive nanoscale phase diagram for Nb_2O_5-doped TiO_2. Water adsorption microcalorimetry and high temperature oxide melt solution were used to obtain the surface and bulk enthalpies. The phase diagram obtained shows the stable titania polymorph as a function of the composition and size.

  6. Adsorption of metal-phthalocyanine molecules onto the Si(111) surface passivated by δ doping: Ab initio calculations

    Science.gov (United States)

    Veiga, R. G. A.; Miwa, R. H.; McLean, A. B.

    2016-03-01

    We report first-principles calculations of the energetic stability and electronic properties of metal-phthalocyanine (MPc) molecules (M = Cr, Mn, Fe, Co, Ni, Cu, and Zn) adsorbed on the δ -doped Si(111)-B (√{3 }×√{3 }) reconstructed surface. (i) It can be seen that CrPc, MnPc, FePc, and CoPc are chemically anchored to the topmost Si atom. (ii) Contrastingly, the binding of the NiPc, CuPc, and ZnPc molecules to the Si (111 ) -B (√{3 }×√{3 }) surface is exclusively ruled by van der Waals interactions, the main implication being that these molecules may diffuse and rearrange to form clusters and/or self-organized structures on this surface. The electronic structure calculations reveal that in point (i), owing to the formation of the metal-Si covalent bond, the net magnetic moment of the molecule is quenched by 1 μB , remaining unchanged in point (ii). In particular, the magnetic moment of CuPc (1 μB ) is preserved after adsorption. Finally, we verify that the formation of ZnPc, CuPc, and NiPc molecular (self-assembled) arrangements on the Si(111)-B (√{3 }×√{3 } ) surface is energetically favorable, in good agreement with recent experimental findings.

  7. Fabrication of superhydrophobic and antibacterial surface on cotton fabric by doped silica -based sols with nanoparticles of copper

    Science.gov (United States)

    Berendjchi, Amirhosein; Khajavi, Ramin; Yazdanshenas, Mohammad Esmaeil

    2011-11-01

    The study discussed the synthesis of silica sol using the sol-gel method, doped with two different amounts of Cu nanoparticles. Cotton fabric samples were impregnated by the prepared sols and then dried and cured. To block hydroxyl groups, some samples were also treated with hexadecyltrimethoxysilane. The average particle size of colloidal silica nanoparticles were measured by the particle size analyzer. The morphology, roughness, and hydrophobic properties of the surface fabricated on cotton samples were analyzed and compared via the scanning electron microscopy, the transmission electron microscopy, the scanning probe microscopy, with static water contact angle (SWC), and water shedding angle measurements. Furthermore, the antibacterial efficiency of samples was quantitatively evaluated using AATCC 100 method. The addition of 0.5% (wt/wt) Cu into silica sol caused the silica nanoparticles to agglomerate in more grape-like clusters on cotton fabrics. Such fabricated surface revealed the highest value of SWC (155° for a 10-μl droplet) due to air trapping capability of its inclined structure. However, the presence of higher amounts of Cu nanoparticles (2% wt/wt) in silica sol resulted in the most slippery smooth surface on cotton fabrics. All fabricated surfaces containing Cu nanoparticles showed the perfect antibacterial activity against both of gram-negative and gram-positive bacteria.

  8. Studies of surface states in zinc oxide nanopowders

    Science.gov (United States)

    Peters, Raul Mugabe

    The surface of ZnO semiconductor nanosystems is a key performance-defining factor in numerous applications. In this work we present experimental results for the surface defect-related properties of ZnO nanoscale systems. Surface photovoltage spectroscopy was used to determine the defect level energies within the band gap, the conduction vs. valence band nature of the defect-related transitions, and to probe key dynamic parameters of the surface on a number of commercially available ZnO nanopowders. In our experimental setup, surface photovoltage characterization is conducted in high vacuum in tandem with in situ oxygen remote plasma treatments. Surface photovoltage investigations of the as-received and plasma-processed samples revealed a number of common spectral features related to surface states. Furthermore, we observed significant plasma-induced changes in the surface defect properties. Ex situ positron annihilation and photoluminescence measurements were performed on the studied samples and correlated with surface photovoltage results. The average positron lifetimes were found to be substantially longer than in a bulk single crystalline sample, which is consistent with the model of grains with defect-rich surface and subsurface layers. Compression of the powders into pellets yielded reduction of the average positron lifetimes. Surface photovoltage, positron annihilation, and photoluminescence spectra consistently showed sample-to-sample differences due to the variation in the overall quality of the nanopowders, which partially obscures observation of the scaling effects. However, the results demonstrated that our approach is efficient in detecting specific surface states in nanoscale ZnO specimens and in elucidating their nature.

  9. Surface-electronic-state effects in electron emission from the Be(0001) surface

    International Nuclear Information System (INIS)

    Archubi, C. D.; Gravielle, M. S.; Silkin, V. M.

    2011-01-01

    We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

  10. Surface-electronic-state effects in electron emission from the Be(0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Archubi, C. D. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Gravielle, M. S. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Silkin, V. M. [Donostia International Physics Center, E-20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Quimicas, Universidad del Pais Vasco, Apartado 1072, E-20080 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao (Spain)

    2011-07-15

    We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

  11. Hole states in diamond p-delta-doped field effect transistors

    International Nuclear Information System (INIS)

    Martinez-Orozco, J C; Rodriguez-Vargas, I; Mora-Ramos, M E

    2009-01-01

    The p-delta-doping in diamond allows to create high density two-dimensional hole gases. This technique has already been applied in the design and fabrication of diamond-based field effect transistors. Consequently, the knowledge of the electronic structure is of significant importance to understand the transport properties of diamond p-delta-doped systems. In this work the hole subbands of diamond p-type delta-doped quantum wells are studied within the framework of a local-density Thomas-Fermi-based approach for the band bending profile. The calculation incorporates an independent three-hole-band scheme and considers the effects of the contact potential, the delta-channel to contact distance, and the ionized impurity density.

  12. Hole states in diamond p-delta-doped field effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Orozco, J C; Rodriguez-Vargas, I [Unidad Academica de Fisica, Universidad Autonoma de Zacatecas, Calzada Solidaridad Esquina con Paseo la Bufa S/N, CP 98060 Zacatecas, ZAC. (Mexico); Mora-Ramos, M E, E-mail: jcmover@correo.unam.m [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, CP 62209 Cuernavaca, MOR. (Mexico)

    2009-05-01

    The p-delta-doping in diamond allows to create high density two-dimensional hole gases. This technique has already been applied in the design and fabrication of diamond-based field effect transistors. Consequently, the knowledge of the electronic structure is of significant importance to understand the transport properties of diamond p-delta-doped systems. In this work the hole subbands of diamond p-type delta-doped quantum wells are studied within the framework of a local-density Thomas-Fermi-based approach for the band bending profile. The calculation incorporates an independent three-hole-band scheme and considers the effects of the contact potential, the delta-channel to contact distance, and the ionized impurity density.

  13. Local equivalence, surface-code states, and matroids

    International Nuclear Information System (INIS)

    Sarvepalli, Pradeep; Raussendorf, Robert

    2010-01-01

    Recently, Ji et al. disproved the local-unitary-local Clifford (LU-LC) conjecture and showed that the local unitary (LU) and local Clifford (LC) equivalence classes of the stabilizer states are not always the same. Despite the fact that this settles the LU-LC conjecture, a sufficient condition for stabilizer states that violate the LU-LC conjecture is not known. In this paper, we investigate further the properties of stabilizer states with respect to local equivalence. Our first result shows that there exist infinitely many stabilizer states that violate the LU-LC conjecture. In particular, we show that for all numbers of qubits n≥28, there exist distance-two stabilizer states which are counterexamples to the LU-LC conjecture. We prove that, for all odd n≥195, there exist stabilizer states with distance greater than two that are LU equivalent but not LC equivalent. Two important classes of stabilizer states that are of great interest in quantum computation are the cluster states and stabilizer states of the surface codes. We show that, under some minimal restrictions, both these classes of states preclude any counterexamples. In this context, we also show that the associated surface codes do not have any encoded non-Clifford transversal gates. We characterize the Calderbank-Shor-Steane (CSS) surface-code states in terms of a class of minor closed binary matroids. In addition to making a connection to an important open problem in binary matroid theory, this characterization does in some cases provide an efficient test for CSS states that are not counterexamples.

  14. Surface spin effects in La-doped CoFe.sub.2./sub.O.sub.4./sub. nanoparticles prepared by microemulsion route

    Czech Academy of Sciences Publication Activity Database

    Burianová, Simona; Poltierová Vejpravová, Jana; Holec, Petr; Plocek, J.; Nižňanský, D.

    2011-01-01

    Roč. 110, č. 7 (2011), "073902-1"-"073902-7" ISSN 0021-8979 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z40320502 Keywords : CoFe 2 O 4 nanoparticles * lanthanum doping * microemulsion route * high coercivity * surface spin effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.168, year: 2011

  15. Surface-Tuned Co3O4 Nanoparticles Dispersed on Nitrogen-Doped Graphene as an Efficient Cathode Electrocatalyst for Mechanical Rechargeable Zinc-Air Battery Application.

    Science.gov (United States)

    Singh, Santosh K; Dhavale, Vishal M; Kurungot, Sreekumar

    2015-09-30

    The most vital component of the fuel cells and metal-air batteries is the electrocatalyst, which can facilitate the oxygen reduction reaction (ORR) at a significantly reduced overpotential. The present work deals with the development of surface-tuned cobalt oxide (Co3O4) nanoparticles dispersed on nitrogen-doped graphene as a potential ORR electrocatalyst possessing some unique advantages. The thermally reduced nitrogen-doped graphene (NGr) was decorated with three different morphologies of Co3O4 nanoparticles, viz., cubic, blunt edged cubic, and spherical, by using a simple hydrothermal method. We found that the spherical Co3O4 nanoparticle supported NGr catalyst (Co3O4-SP/NGr-24h) has acquired a significant activity makeover to display the ORR activity closely matching with the state-of-the-art Pt supported carbon (PtC) catalyst in alkaline medium. Subsequently, the Co3O4-SP/NGr-24h catalyst has been utilized as the air electrode in a Zn-air battery, which was found to show comparable performance to the system derived from PtC. Co3O4-SP/NGr-24h catalyst has shown several hours of flat discharge profile at the discharge rates of 10, 20, and 50 mA/cm(2) with a specific capacity and energy density of ~590 mAh/g-Zn and ~840 Wh/kg-Zn, respectively, in the primary Zn-air battery system. In conjunction, Co3O4-SP/NGr-24h has outperformed as an air electrode in mechanical rechargeable Zn-air battery as well, which has shown consistent flat discharge profile with minimal voltage loss at a discharge rate of 50 mA/cm(2). The present results, thus demonstrate that the proper combination of the tuned morphology of Co3O4 with NGr will be a promising and inexpensive material for efficient and ecofriendly cathodes for Zn-air batteries.

  16. The law of corresponding states and surface tension of metals

    International Nuclear Information System (INIS)

    Digilov, R.

    2001-01-01

    Full Text: Surface tension of liquid metals is one of fundamental and most important quantities in theory and practice of material processing and its temperature dependence leads to the well-known Marangoni convection. Although currently methods are sufficiently precise to measure the surface tension, there are uncertainties in experimental data and its temperature dependence mainly due to impurity, which even a trace of it strongly affects the results of measurements. The theoretical treatment from the first principles is unwieldy and not always permits one to calculate the surface tension with certainty. Another active research field deals with empirical correlation between the surface tension and bulk thermodynamic properties, which we interpret as a simple consequence of the law of corresponding states. In order to relate the surface tension and to bulk properties of liquid metals the reduced formula is derived by scaling with the melting point T m (0) at p = 0 and atomic volume Ω 0 2/3 at T = 0 K as macroscopic parameters for scaling ε and a characterizing the interatomic potential in metals. The reduced surface tension and the reduced surface entropy obtained in high temperature limit are discussed and compared with the experiment. The reduced temperature coefficient of the surface tension found is a universal constant for the metals of the same structure. It is shown that pressure dependence of the surface tension, so called baric coefficient of the surface tension, can be described by pressure dependence of scaling parameters T m (p) and Ω 0 (p). (author)

  17. Facile conversion of bulk metal surface to metal oxide single-crystalline nanostructures by microwave irradiation: Formation of pure or Cr-doped hematite nanostructure arrays

    International Nuclear Information System (INIS)

    Cho, Seungho; Jeong, Haeyoon; Lee, Kun-Hong

    2010-01-01

    We report a method for converting the surfaces of bulk metal substrates (pure iron or stainless steel) to metal oxide (hematite or Cr-doped hematite) nanostructures using microwave irradiation. When microwave radiation (2.45 GHz, single-mode) was applied to a metal substrate under the flow of a gas mixture containing O 2 and Ar, metal oxide nanostructures formed and entirely covered the substrate. The nanostructures were single crystalline, and the atomic ratios of the substrate metals were preserved in the nanostructures. When a pure iron sheet was used as a substrate, hematite nanowires (1000 W microwave radiation) or nanosheets (1800 W microwave radiation) formed on the surface of the substrate. When a SUS410 sheet was used as a substrate, slightly curved rod-like nanostructures were synthesized. The oxidation states of Fe and Cr in these nanorods were Fe 3+ and Cr 3+ . Quantitative analyses revealed an average Fe/Cr atomic ratio of 9.2, nearly identical to the ratio of the metals in the SUS410 substrate.

  18. Charge state of ions scattered by metal surface

    International Nuclear Information System (INIS)

    Kishinevsky, L.M.; Parilis, E.S.; Verleger, V.K.

    1976-01-01

    A model for description of charge distributions for scattering of heavy ions in the keV region, on metal surfaces developing and improving the method of Van der Weg and Bierman, and taking into account the connection between the ion charge state and scattering kinematics, is proposed. It is shown that multiple charged particles come from ions with a vacancy in the inner shell while the outer shell vacancies give only single charged ions and neutrals. The approximately linear increase of degree of ionization with normal velocity, and the non-monotonic charge dependence of the energy spectrum established by Chicherov and Buck et al is explained by considering irreversible neutralization in the depth of the metal, taking into account the connection of the charge state with the shape of trajectory and its location relative to the metal surface. The dependence of charge state on surface structure is discussed. Some new experiments are proposed. (author)

  19. Redox behavior of a low-doped Pr-CeO{sub 2}(111) surface. A DFT+U study

    Energy Technology Data Exchange (ETDEWEB)

    Milberg, Brian [ITHES, UBA-CONICET, Departamento de Ingeniería Química, Pabellón de Industrias, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Juan, Alfredo [Departamento de Física & IFISUR, UNS-CONICET, Avda. Alem 1253, 8000 Bahía Blanca (Argentina); Irigoyen, Beatriz, E-mail: beatriz@di.fcen.uba.ar [ITHES, UBA-CONICET, Departamento de Ingeniería Química, Pabellón de Industrias, Ciudad Universitaria, 1428 Buenos Aires (Argentina)

    2017-04-15

    Highlights: • Pr doping facilitates oxygen donation due to the easy formation of Pr{sup 3+}/Pr{sup 4+} and Ce{sup 3+}/Ce{sup 4+} redox couples. • Pr doping also favors the formation of superoxide (O{sub 2}{sup −}) radicals on surface O-holes. • CO can be oxidized by superoxide radical forming a CO{sub 2} molecule floating on the surface. • CO can also interact on the (O{sub 2}{sup −})/Pr{sup 3+} interphase and forms weakly adsorbed carbonate-type intermediates. - Abstract: In this work, we investigated the redox behavior (donation and replenishing of oxygen) of a low praseodymium (Pr)-doped CeO{sub 2}(111) surface. We considered a 3.7 at.% Pr doping and performed density functional calculations using the GGA formalism with the ‘U’ correction on Ce(4f) and Pr(4f) orbitals. Our results indicate that Pr doping promotes oxygen donation by lowering the energy necessary to form surface anionic vacancies. When the Ce{sub 0.963}Pr{sub 0.037}O{sub 2}(111) surface donates one oxygen, the two excess electrons locate on Pr and Ce cations and reduce them to Pr{sup 3+} and Ce{sup 3+} ones. Praseodymium doping also favors the activation of O{sub 2} molecule on surface O-holes, leading to formation of a superoxide (O{sub 2}{sup −}) radical as well as to reoxidation of the Ce{sup 3+} cation to Ce{sup 4+} one. Additionally, we used the CO molecular adsorption for testing the reactivity of those superoxide species. The calculations expose the ability of these radicals to oxidize CO forming a CO{sub 2} molecule floating on the surface. However, when the superoxide is in the immediate vicinity of Pr dopant a carbonate-type species is formed. Our theoretical results may help to gain insight into redox properties and improved catalytic performance of low-doped Pr-CeO{sub 2} solids.

  20. Mg-doped biphasic calcium phosphate by a solid state reaction route: Characterization and evaluation of cytotoxicity

    Energy Technology Data Exchange (ETDEWEB)

    Webler, Geovana D. [Instituto de Física, Universidade Federal de Alagoas, Maceió-AL 57072970 (Brazil); Correia, Ana C.C.; Barreto, Emiliano [Laboratório de Biologia Celular, Universidade Federal de Alagoas, Maceió-AL 57072970 (Brazil); Fonseca, Eduardo J.S., E-mail: eduardo@fis.ufal.br [Instituto de Física, Universidade Federal de Alagoas, Maceió-AL 57072970 (Brazil)

    2015-07-15

    Hydroxyapatite (HAP) and β-tricalcium phosphate (β-TCP) are widely used in tissue engineering because of their chemical similarity to the inorganic bone phase. In this work, we prepare biphasic calcium phosphate (BCP, a mixture of HAP and β-TCP) doped with different concentrations of magnesium to investigate the influence of magnesium on the BCP crystal structure. Magnesium is known to be an important element in the composition of bones and teeth. Recent research has shown that the doping of magnesium into BCP improves its bone metabolism and mechanical properties without affecting its biocompatibility. The samples were prepared by solid-state reaction from calcium carbonate, monobasic ammonium phosphate, and magnesium nitrate hexahydrate. Varying concentrations of magnesium were used and its modifications were examined by different characterization techniques. The phase composition and morphology of the ceramic powders were characterized by X-ray diffraction and scanning electron microscopy, respectively. The functional groups were analyzed using Fourier transform infrared spectroscopy and Raman spectroscopy. Cell viability experiments, using macrophage-like cell lines J774, showed that the synthesized Mg-doped BCP did not exhibit cytotoxicity regardless of the doses assayed or the different concentrations of magnesium used, suggesting it as a good material for potential biological applications. - Highlights: • Simple and fast method for the preparation of the Mg-BCP. • Study of the influence of the incorporation of Mg in the BCP. • Cell viability showed that the synthesized Mg-BCP did not exhibit cytotoxicity.

  1. Mg-doped biphasic calcium phosphate by a solid state reaction route: Characterization and evaluation of cytotoxicity

    International Nuclear Information System (INIS)

    Webler, Geovana D.; Correia, Ana C.C.; Barreto, Emiliano; Fonseca, Eduardo J.S.

    2015-01-01

    Hydroxyapatite (HAP) and β-tricalcium phosphate (β-TCP) are widely used in tissue engineering because of their chemical similarity to the inorganic bone phase. In this work, we prepare biphasic calcium phosphate (BCP, a mixture of HAP and β-TCP) doped with different concentrations of magnesium to investigate the influence of magnesium on the BCP crystal structure. Magnesium is known to be an important element in the composition of bones and teeth. Recent research has shown that the doping of magnesium into BCP improves its bone metabolism and mechanical properties without affecting its biocompatibility. The samples were prepared by solid-state reaction from calcium carbonate, monobasic ammonium phosphate, and magnesium nitrate hexahydrate. Varying concentrations of magnesium were used and its modifications were examined by different characterization techniques. The phase composition and morphology of the ceramic powders were characterized by X-ray diffraction and scanning electron microscopy, respectively. The functional groups were analyzed using Fourier transform infrared spectroscopy and Raman spectroscopy. Cell viability experiments, using macrophage-like cell lines J774, showed that the synthesized Mg-doped BCP did not exhibit cytotoxicity regardless of the doses assayed or the different concentrations of magnesium used, suggesting it as a good material for potential biological applications. - Highlights: • Simple and fast method for the preparation of the Mg-BCP. • Study of the influence of the incorporation of Mg in the BCP. • Cell viability showed that the synthesized Mg-BCP did not exhibit cytotoxicity

  2. A theoretical investigation of the N2O + SO2 reaction on surfaces of P-doped C60 nanocage and Si-doped B30N30 nanocage

    Directory of Open Access Journals (Sweden)

    Meysam Najafi

    Full Text Available The mechanism of N2O reduction via SO2 on surfaces of P-doped C60 and Si-doped B30N30 by density functional theory were investigated. The P and Si adsorption energies on surface of C60 and B30N30 were calculated to be −287.5 and −312.1 kcal/mol, respectively. The decomposition of C60-P-N2O and B30N30-Si-N2O and reduction of C60-P-O∗ and B30N30-Si-O∗ by SO2 molecule were investigated. The B30N30-Si-O∗ has lower activation energy and has more negative ΔGad rather than C60-P-O∗ and therefore the process of B30N30-Si-O∗ + SO2 → B30N30-Si + SO3 was spontaneous more than C60-P-O∗ + SO2 → C60-P + SO3 from thermodynamic view point. Results show that activation energies for B30N30-Si-O∗ + N2O → B30N30-Si-O2 + N2 and C60-P-O∗ + N2O → C60-P-O2 + N2 reactions were 33.23 and 35.82 kcal/mol, respectively. The results show that P-doped C60 and Si-doped B30N30 can be observed as a real catalysts for the reduction of N2O. Keywords: Atom doping, Catalyst, Nanocage, Adsorption, N2O reduction

  3. The impact of chemical doping on the magnetic state of the Sr{sub 2}YRuO{sub 6} double perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Kayser, Paula; Ranjbar, Ben; Kennedy, Brendan J. [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Avdeev, Maxim [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia)

    2017-05-15

    The impact of chemical doping of the type Sr{sub 2−x}A{sub x}YRuO{sub 6} (A=Ca, Ba) on the low temperature magnetic properties of Sr{sub 2}YRuO{sub 6}, probed using variable temperature magnetic susceptibility, neutron diffraction and heat capacity measurements, are described. Specific-heat measurements of un-doped Sr{sub 2}YRuO{sub 6} reveal two features at ∼26 and ∼30 K. Neutron scattering measurements at these temperatures are consistent with a change from a 2D ordered state to the 3D type 1 AFM state. Magnetic and structural studies of a number of doped oxides are described that highlight the unique low temperature behavior of Sr{sub 2}YRuO{sub 6} and demonstrate that doping destabilizes the intermediate 2D ordered state. - Graphical abstract: Neutron diffraction measurements of the ordered double perovskite Sr{sub 2}YRuO{sub 6}reveal a with a change from a 2D ordered state to the 3D type 1 AFM state upon cooling. The impact of chemical doping Sr{sub 2−x}A{sub x}YRuO{sub 6} (A=Ca, Ba) on the low temperature magnetic properties have also been investigated and these highlight the unique low temperature behavior of Sr{sub 2}YRuO{sub 6} with doping destabilizing the intermediate 2D ordered state. - Highlights: • Crystal and Magnetic Structure of Sr{sub 2}YRuO{sub 3} was studied using Neutron Diffraction. • Effect of doping on the magnetic ground state established. • Origin of two low temperature transitions discussed.

  4. Metastable states of plasma particles close to a charged surface

    Energy Technology Data Exchange (ETDEWEB)

    Shavlov, A. V., E-mail: shavlov@ikz.ru [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation); Tyumen State Oil and Gas University, 38, Volodarskogo St., 625000, Tyumen (Russian Federation); Dzhumandzhi, V. A. [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation)

    2015-09-15

    The free energy of the plasma particles and the charged surface that form an electroneutral system is calculated on the basis of the Poisson-Boltzmann equation. It is shown that, owing to correlation of light plasma particles near the charged surface and close to heavy particles of high charge, there can be metastable states in plasma. The corresponding phase charts of metastable states of the separate components of plasma, and plasma as a whole, are constructed. These charts depend on temperature, the charge magnitude, the size of the particles, and the share of the charge of the light carriers out of the total charge of the plasma particles.

  5. Surface State Dynamics of Topological Insulators Investigated by Femtosecond Time- and Angle-Resolved Photoemission Spectroscopy

    Directory of Open Access Journals (Sweden)

    Hamoon Hedayat

    2018-04-01

    Full Text Available Topological insulators (TI are known for striking quantum phenomena associated with their spin-polarized topological surface state (TSS. The latter in particular forms a Dirac cone that bridges the energy gap between valence and conduction bands, providing a unique opportunity for prospective device applications. In TI of the BixSb2−xTeySe3−y (BSTS family, stoichiometry determines the morphology and position of the Dirac cone with respect to the Fermi level. In order to engineer specific transport properties, a careful tuning of the TSS is highly desired. Therefore, we have systematically explored BSTS samples with different stoichiometries by time- and angle-resolved photoemission spectroscopy (TARPES. This technique provides snapshots of the electronic structure and discloses the carrier dynamics in surface and bulk states, providing crucial information for the design of electro-spin current devices. Our results reveal the central role of doping level on the Dirac cone structure and its femtosecond dynamics. In particular, an extraordinarily long TSS lifetime is observed when the the vertex of the Dirac cone lies at the Fermi level.

  6. Experimental approach to controllably vary protein oxidation while minimizing electrode adsorption for boron-doped diamond electrochemical surface mapping applications.

    Science.gov (United States)

    McClintock, Carlee S; Hettich, Robert L

    2013-01-02

    Oxidative protein surface mapping has become a powerful approach for measuring the solvent accessibility of folded protein structures. A variety of techniques exist for generating the key reagent (i.e., hydroxyl radicals) for these measurements; however, these approaches range significantly in their complexity and expense of operation. This research expands upon earlier work to enhance the controllability of boron-doped diamond (BDD) electrochemistry as an easily accessible tool for producing hydroxyl radicals in order to oxidize a range of intact proteins. Efforts to modulate the oxidation level while minimizing the adsorption of protein to the electrode involved the use of relatively high flow rates to reduce protein residence time inside the electrochemical flow chamber. Additionally, a different cell activation approach using variable voltage to supply a controlled current allowed us to precisely tune the extent of oxidation in a protein-dependent manner. In order to gain perspective on the level of protein adsorption onto the electrode surface, studies were conducted to monitor protein concentration during electrolysis and gauge changes in the electrode surface between cell activation events. This report demonstrates the successful use of BDD electrochemistry for greater precision in generating a target number of oxidation events upon intact proteins.

  7. Fluorine-doped tin oxide surfaces modified by self-assembled alkanethiols for thin-film devices

    Energy Technology Data Exchange (ETDEWEB)

    Alves, A.C.T.; Gomes, D.J.C.; Silva, J.R.; Silva, G.B., E-mail: george@cpd.ufmt.br

    2013-08-15

    In this work, we have investigated self-assembled monolayers (SAMs) from alkanethiols on fluorine-doped tin oxide (FTO) surfaces, which were used as an anode for thin-film devices prepared from the conductive copolymer so-called sulfonated poly(thiophene-3-[2-(2-methoxyethoxy) ethoxy]-2,5-diyl) (S-P3MEET). The assembled monolayers were characterized by using wetting contact angle, atomic force microscopy, and electrical measurements. The results indicated that dodecanethiol molecules, CH{sub 3}(CH{sub 2}){sub 11}SH, were well assembled on the FTO surfaces. In addition, it was found similar values of wetting contact angle for dodecanethiol assembled on both FTO and Au surfaces. Concerning the thin-film device, current–voltage analysis revealed a hysteresis. This behavior was associated to a charge-trapping effect and also to structural changes of the SAMs. Finally, charge injection capability of tin oxide electrodes can be improved by using SAMs and then this approach can plays an important role in molecular-scale electronic devices.

  8. Surface crack testing - state of technique and trends in development

    International Nuclear Information System (INIS)

    1991-01-01

    This Seminar contains 12 lectures on the following subjects: State of technique in magnetic powder testing (K. Goebbels); Recognisability of faults and probability of faults in surface crack testing (W. Morgner); Requirements for picture processing systems for proving and assessing crack indications (M. Stadthaus); Possibilities and limits of automatic crack recognition in magnetic powder testing (V. Deutsch); Development of equipment for eddy current testing (M. Junger); Signal processing - a way of improving the recognisability of faults in eddy current testing (R. Becker); Methods of testing steel products for surface faults and their practical limits of fault recognisability (D. Thiery); Surface crack testing in pipe manufacture (R. Pawelletz); Surface crack testing in powerstation construction (L. v. Bernus); Trends in automation in surface crack testing (G. Maier); Eddy current testing in engine construction (E. Dickhaut); Eddy current testing in aircraft repair (F. Schur). (orig.) [de

  9. Preserving half-metallic surface states in Cr O2 : Insights into surface reconstruction rules

    Science.gov (United States)

    Deng, Bei; Shi, X. Q.; Chen, L.; Tong, S. Y.

    2018-04-01

    The issue of whether the half-metallic (HM) nature of Cr O2 could be retained at its surface has been a standing problem under debate for a few decades, but until now is still controversial. Here, based on the density functional theory calculations we show, in startling contrast to the previous theoretical understandings, that the surfaces of Cr O2 favorably exhibit a half-metallic-semiconducting (SmC) transition driven by means of a surface electronic reconstruction largely attributed to the participation of the unexpected local charge carriers (LCCs), which convert the HM double exchange surface state into a SmC superexchange state and in turn, stabilize the surface as well. On the basis of the LCCs model, a new insight into the surface reconstruction rules is attained. Our novel finding not only provided an evident interpretation for the widely observed SmC character of Cr O2 surface, but also offered a novel means to improve the HM surface states for a variety of applications in spintronics and superconductors, and promote the experimental realization of the quantum anomalous Hall effect in half-metal based systems.

  10. Probing the spin-orbit Mott state in Sr3Ir2O7 by electron doping

    Science.gov (United States)

    Hogan, Thomas C.

    Iridium-based members of the Ruddlesden-Popper family of oxide compounds are characterized by a unique combination of energetically comparable effects: crystal-field splitting, spin-orbit coupling, and electron-electron interactions are all present, and the combine to produce a Jeff = 1/2 ground state. In the bilayer member of this series, Sr3Ir2O7, this state manifests as electrically insulating, with unpaired Ir4+ spins aligned along the long axis of the unit cell to produce a G-type antiferromagnet with an ordered moment of 0.36 uB. In this work, this Mott state is destabilized by electron doping via La3+ substitution on the Sr-site to produce (Sr1-x Lax)3Ir2O7. The introduction of carriers initially causes nano-scale phase-separated regions to develop before driving a global insulator-to-metal transition at x=0.04. Coinciding with this transition is the disappearance of evidence of magnetic order in the system in either bulk magnetization or magnetic scattering experiments. The doping also enhances a structural order parameter observed in the parent compound at forbidden reciprocal lattice vectors. A more complete structural solution is proposed to account for this previously unresolved distortion, and also offers an explanation as to the anomalous net ferromagnetism seen prior in bulk measurements. Finally, spin dynamics are probed via a resonant x-ray technique to reveal evidence of spin-dimer-like behavior dominated by inter-plane interactions. This result supports a bond-operator treatment of the interaction Hamiltonian, and also explains the doping dependence of high temperature magnetic susceptibility.

  11. Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Salahuddin; Jayabalan, J., E-mail: jjaya@rrcat.gov.in; Chari, Rama; Pal, Suparna [Laser Physics Applications Section, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M. [Semiconductor Physics and Devices Lab., Solid State Laser Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2014-08-18

    We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

  12. Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

    International Nuclear Information System (INIS)

    Khan, Salahuddin; Jayabalan, J.; Chari, Rama; Pal, Suparna; Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M.

    2014-01-01

    We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

  13. Low-Temperature Sol-Gel Synthesis of Nitrogen-Doped Anatase/Brookite Biphasic Nanoparticles with High Surface Area and Visible-Light Performance

    Directory of Open Access Journals (Sweden)

    Liang Jiang

    2017-12-01

    Full Text Available Nitrogen doping in combination with the brookite phase or a mixture of TiO2 polymorphs nanomaterials can enhance photocatalytic activity under visible light. Generally, nitrogen-dopedanatase/brookite mixed phases TiO2 nanoparticles obtained by hydrothermal or solvothermal method need to be at high temperature and with long time heating treatment. Furthermore, the surface areas of them are low (<125 m2/g. There is hardly a report on the simple and direct preparation of N-doped anatase/brookite mixed phase TiO2 nanostructures using sol-gel method at low heating temperature. In this paper, the nitrogen-doped anatase/brookite biphasic nanoparticles with large surface area (240 m2/g were successfully prepared using sol-gel method at low temperature (165 °C, and with short heating time (4 h under autogenous pressure. The obtained sample without subsequent annealing at elevated temperatures showed enhanced photocatalytic efficiency for the degradation of methyl orange (MO with 4.2-, 9.6-, and 7.5-fold visible light activities compared to P25 and the amorphous samples heated in muffle furnace with air or in tube furnace with a flow of nitrogen at 165 °C, respectively. This result was attributed to the synergistic effects of nitrogen doping, mixed crystalline phases, and high surface area.

  14. Structural, optical, and magnetic properties of polycrystalline Co-doped TiO{sub 2} synthesized by solid-state method

    Energy Technology Data Exchange (ETDEWEB)

    Bouaine, Abdelhamid, E-mail: abdelhamidfethi@yahoo.fr [Laboratoire d' Etude des Materiaux (LEM), Departement de Physique, Faculte des Sciences Exactes et des Sciences de la Nature et de la vie, Universite de Jijel, cite Oued-Aissa, B.P 98, Jijel 18000 (Algeria); Institut de Physique et Chimie des Materiaux de Strasbourg (IPCMS), UMR 7504 CNRS - UdS, 23 rue du Loess, B.P. 43, 67034 Strasbourg Cedex 2 (France); Schmerber, G.; Ihiawakrim, D.; Derory, A. [Institut de Physique et Chimie des Materiaux de Strasbourg (IPCMS), UMR 7504 CNRS - UdS, 23 rue du Loess, B.P. 43, 67034 Strasbourg Cedex 2 (France)

    2012-11-01

    Highlights: Black-Right-Pointing-Pointer Influence of Co doping on the TiO{sub 2} tetragonal structure. Black-Right-Pointing-Pointer Decrease of the energy band gap after doping with Co atoms. Black-Right-Pointing-Pointer Appearance of ferromagnetism in Co-doped TiO{sub 2} diluted magnetic semiconductors. - Abstract: We have used a solid-state method to synthesize polycrystalline Co-doped TiO{sub 2} diluted magnetic semiconductors (DMSs) with Co concentrations of 0, and 0.5 at.%. X-ray diffraction patterns reveal that Co doped TiO{sub 2} crystallizes in the rutile tetragonal structure with no additional peaks. Transmission electron microscopy (TEM) did not indicate the presence of magnetic parasitic phases and confirmed that Co ions are uniformly distributed inside the samples. Optical absorbance measurements showed an energy band gap which decreases after doping with the Co atoms into the TiO{sub 2} matrix. Magnetization measurements revealed a paramagnetic behavior for the as-prepared Co-doped TiO{sub 2} and a ferromagnetic behavior for the same samples after annealed under a mixture of H{sub 2}/N{sub 2} atmosphere.

  15. Ba2+ Doped CH3NH3PbI3 to Tune the Energy State and Improve the Performance of Perovskite Solar Cells

    International Nuclear Information System (INIS)

    Zhang, Hanbing; Shang, Ming-hui; Zheng, Xiaoying; Zeng, Zhaobing; Chen, Renjie; Zhang, Ying; Zhang, Jing; Zhu, Yuejin

    2017-01-01

    Highlights: •Ba doping enlarges the energy band gap of MAPb 1-x Ba x I 3 . •Voc and Jsc are enhanced in perovskite solar cells. •DFT calculation proves the experiment results. -- Abstract: Elements substitution and doping in perovskite CH 3 NH 3 PbI 3 exhibit versatile tunability of energy band structure and opto-electric properties. Ba 2+ is chosen to substitute Pb 2+ for its similar valence state and ionic radius with Pb 2+ . Ba 2+ doping in perovskite (mol% <5) slightly enlarges the optic energy gap by conduction band minimum(CBM) upshifting to vacuum energy level, which is due to the smaller electronegativity of Ba than Pb. The enlarged band gap is also verified by density function theory calculations. In n-i-p structure perovskite solar cells (PSCs), because of the higher CBM of doped perovskite, the Fermi energy difference between n and p side is enlarged and the electron injection from the perovskite to TiO 2 is improved. Thus, both the photovoltage and photocurrent are improved by small amount Ba 2+ doping, resulting optimized 17.4% efficiency under AM1.5. This work reveals the relationship between the doping element property and the energy band structure of the perovskite, and highlights the doping method to improve the performance of PSCs.

  16. Luminescence properties of dysprosium doped calcium magnesium silicate phosphor by solid state reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, Ishwar Prasad, E-mail: ishwarprasad1986@gmail.com [School of Studies in Physics & Astrophysics, Pt. Ravishankar Shukla University, Raipur, C.G. 492010 (India); Chandrakar, Priya; Baghel, R.N.; Bisen, D.P.; Brahme, Nameeta [School of Studies in Physics & Astrophysics, Pt. Ravishankar Shukla University, Raipur, C.G. 492010 (India); Tamrakar, Raunak Kumar [Department of Applied Physics, Bhilai Institute of Technology, Durg, C.G. 491001 (India)

    2015-11-15

    Dysprosium doped calcium magnesium silicate (CaMgSi{sub 2}O{sub 6}:Dy{sup 3+}) white light emitting phosphor was synthesized by solid state reaction process. The crystal structure of sintered phosphor was monoclinic structure with space group C2/c. Chemical composition of the sintered CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was confirmed by EDX. The prepared CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was excited from 352 nm and their corresponding emission spectra were recorded at blue (470 nm), yellow (570 nm) and red (675 nm) line due to the {sup 4}F{sub 9/2} → {sup 6}H{sub 15/2}, {sup 4}F{sub 9/2} → {sup 6}H{sub 13/2}, {sup 4}F{sub 9/2} → {sup 6}H{sub 11/2} transitions of Dy{sup 3+} ions. The combination of these three emissions constituted as white light confirmed by the Commission Internationale de L'Eclairage (CIE) chromatic coordinate diagram. The possible mechanism of the white light emitting long lasting CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was also investigated. Investigation on afterglow property show that phosphor held fast and slow decay process. The peak of mechanoluminescence (ML) intensity increases linearly with increasing impact velocity of the moving piston. Thus the present investigation indicates that the local piezoelectricity-induced electron bombardment model is responsible to produce ML in prepared CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor. - Highlights: • The crystal structure of CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor is consistent with standard monoclinic structure. • CIE coordinates of CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor is suitable as white light emitting phosphor. • The local piezoelectricity-induced electron bombardment model is responsible to produce ML in CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor.

  17. Sputtering yields and surface chemical modification of tin-doped indium oxide in hydrocarbon-based plasma etching

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hu; Karahashi, Kazuhiro; Hamaguchi, Satoshi, E-mail: hamaguch@ppl.eng.osaka-u.ac.jp [Center for Atomic and Molecular Technologies, Osaka University, Yamadaoka 2-1, Suita 565-0871 (Japan); Fukasawa, Masanaga; Nagahata, Kazunori; Tatsumi, Tetsuya [Device and Material R& D Group, RDS Platform, Sony Corporation, Kanagawa 243-0014 (Japan)

    2015-11-15

    Sputtering yields and surface chemical compositions of tin-doped indium oxide (or indium tin oxide, ITO) by CH{sup +}, CH{sub 3}{sup +}, and inert-gas ion (He{sup +}, Ne{sup +}, and Ar{sup +}) incidence have been obtained experimentally with the use of a mass-selected ion beam system and in-situ x-ray photoelectron spectroscopy. It has been found that etching of ITO is chemically enhanced by energetic incidence of hydrocarbon (CH{sub x}{sup +}) ions. At high incident energy incidence, it appears that carbon of incident ions predominantly reduce indium (In) of ITO and the ITO sputtering yields by CH{sup +} and CH{sub 3}{sup +} ions are found to be essentially equal. At lower incident energy (less than 500 eV or so), however, a hydrogen effect on ITO reduction is more pronounced and the ITO surface is more reduced by CH{sub 3}{sup +} ions than CH{sup +} ions. Although the surface is covered more with metallic In by low-energy incident CH{sub 3}{sup +} ions than CH{sup +} ions and metallic In is in general less resistant against physical sputtering than its oxide, the ITO sputtering yield by incident CH{sub 3}{sup +} ions is found to be lower than that by incident CH{sup +} ions in this energy range. A postulation to account for the relation between the observed sputtering yield and reduction of the ITO surface is also presented. The results presented here offer a better understanding of elementary surface reactions observed in reactive ion etching processes of ITO by hydrocarbon plasmas.

  18. 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.

  19. Studies of solid-state electrochromic devices based on Peo/siliceous hybrids doped with lithium perchlorate

    International Nuclear Information System (INIS)

    Barbosa, P.C.; Silva, M.M.; Smith, M.J.; Goncalves, A.; Fortunato, E.

    2007-01-01

    Sol-gel hybrid organic-inorganic networks, doped with a lithium salt, have been used as electrolytes in prototype smart windows. The work described in this presentation is focused on the application of these networks as dual-function electrolyte/adhesive components in solid-state electrochromic devices. The performance of multi-layer electrochromic devices was characterized as a function of the choice of precursor used to prepare the polymer electrolyte component and the guest salt concentration. The prototype devices exhibited good open-circuit memory, coloration efficiency, optical contrast and stability

  20. Development of surface functionalized ZnO-doped LiFePO{sub 4}/C composites as alternative cathode material for lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Saroha, Rakesh [Department of Applied Physics, Delhi Technological University, Delhi 110042 (India); Panwar, Amrish K., E-mail: amrish.phy@dce.edu [Department of Applied Physics, Delhi Technological University, Delhi 110042 (India); Sharma, Yogesh [Department of Physics, IIT Roorkee, Roorkee, Uttarakhand 247667 (India); Tyagi, Pawan K. [Department of Applied Physics, Delhi Technological University, Delhi 110042 (India); Ghosh, Sudipto [Department of Metallurgical & Materials Engineering, IIT Kharagpur, West Bengal 721302 (India)

    2017-02-01

    Highlights: • Pristine LFP and ZnO-doped LFP/C samples have been synthesized using sol-gel assisted ball milling route. • Electronic conductivity of pristine LFP increases to 10{sup 2}-10{sup 3} orders of magnitude for ZnO doped LFP/C samples. • AFM results indicate the presence of more volumetric charge density at the surface for ZnO-doped LFP/C sample. • LFPZ2.5 shows best cycling and rate performances among all the prepared samples. • Lithium ion diffusion coefficient increases significantly. - Abstract: Surface modified olivine-type LiFePO{sub 4}/C-ZnO doped samples were synthesized using sol-gel assisted ball-milling route. In this work, the influence of ZnO-doping on the physiochemical, electrochemical and surface properties such as charge separation at solid-liquid interphase, surface force gradient, surface/ionic conductivity of pristine LiFePO{sub 4}/C (LFP) has been investigated thoroughly. Synthesized samples were characterized using X-ray diffraction, scanning electron microscopy, atomic force microscopy, and transmission electron microscopy. All the synthesized samples were indexed to the orthorhombic phase with Pnma space group. Pristine LiFePO{sub 4} retain its structure for higher ZnO concentrations (i.e. 2.5 and 5.0 wt.% of LFP). Surface topography and surface force gradient measurements by EFM revealed that the kinetics of charge carriers, e{sup −}/Li{sup +} is more in ZnO-doped LFP samples, which may be attributed to diffusion or conduction process of the charges present at the surface. Among all the synthesized samples LFP/C with 2.5 wt.% of ZnO (LFPZ2.5) displays the highest discharge capacity at all C-rates and exhibit excellent rate performance. LFPZ2.5 delivers a specific discharge capacity of 164 (±3) mAh g{sup −1} at 0.1C rate. LFPZ2.5 shows best cycling performance as it provides a discharge capacity of 135 (±3) mAh g{sup −1} at 1C rate and shows almost 95% capacity retention after 50 charge/discharge cycles. Energy

  1. Surface polyPEGylation of Eu{sup 3+} doped luminescent hydroxyapatite nanorods through the combination of ligand exchange and metal free surface initiated atom transfer radical polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Guangjian; Liu, Meiying [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Heng, Chunning [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Shaanxi Key Laboratory of Degradable Biomedical Materials, Shaanxi R& D Center of Biomaterials and Fermentation Engineering, School of Chemical and Engineering, Northwest University, Xi’an 710069 (China); Huang, Qiang; Mao, Liucheng; Huang, Hongye [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Hui, Junfeng [Shaanxi Key Laboratory of Degradable Biomedical Materials, Shaanxi R& D Center of Biomaterials and Fermentation Engineering, School of Chemical and Engineering, Northwest University, Xi’an 710069 (China); Deng, Fengjie, E-mail: fengjiedeng@aliyun.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Zhang, Xiaoyong, E-mail: xiaoyongzhang1980@gmail.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Wei, Yen, E-mail: weiyen@tsinghua.edu.cn [Department of Chemistry and The Tsinghua Center for Frontier Polymer Research, Tsinghua University, Beijing 100084 (China)

    2017-03-31

    Highlights: • Surface modification of HAp nanorods through the combination of ligand exchange reaction and metal free SI-ATRP. • HAp-polyPEGMA displayed high water dispersibility, good biocompatibility and biological imaging capability. • Metal free ATRP can overcome the toxic and fluorescence quenching effects of metal catalysts of conventional ATRP. - Abstract: The Eu{sup 3+} doped luminescent hydroxyapatite (HAp) nanorods with uniform size and morphology can be synthesized by hydrothermal route. However, these HAp nanorods are coated by hydrophobic oleylamine, which makes them difficult to be dispersed in aqueous solution and impede their biomedical applications. In this work, Eu{sup 3+} doped luminescent polymers functionalized HAp nanorods were prepared through the combination of ligand exchange reaction and metal free surface initiated atom transfer radical polymerization (ATRP) method. In this procedure, the amino group functionalized HAp nanorods were first prepared by ligand exchange reaction using adenosine monophosphate (AMP) as ligand. Then the Br-containing initiators (HAp-Br) were introduced onto the surface of HAp-AMP nanorods through the amidation reaction. Finally, polymers functionalized HAp nanorods were prepared by metal free ATRP method using poly(ethylene glycol) methacrylate (PEGMA) as monomer and 10-phenylphenothiazine (PTH) as organic photocatalyst. The properties of these obtained HAp nanocomposites (HAP-polyPEGMA nanorods) were characterized by means of transmission electron microscopy, Fourier transformed infrared spectroscopy, X-ray photoelectron spectroscopy and thermogravimetric analysis in detail. The cell imaging of these HAP-polyPEGMA nanorods was examined using laser scanning confocal microscope to evaluate their biomedical applications. We demonstrated for the first time that hydrophobic luminescent HAp nanorods can be functionalized with polyPEGMA through the combination of ligand exchange reaction and metal free surface

  2. Surface polyPEGylation of Eu"3"+ doped luminescent hydroxyapatite nanorods through the combination of ligand exchange and metal free surface initiated atom transfer radical polymerization

    International Nuclear Information System (INIS)

    Zeng, Guangjian; Liu, Meiying; Heng, Chunning; Huang, Qiang; Mao, Liucheng; Huang, Hongye; Hui, Junfeng; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

    2017-01-01

    Highlights: • Surface modification of HAp nanorods through the combination of ligand exchange reaction and metal free SI-ATRP. • HAp-polyPEGMA displayed high water dispersibility, good biocompatibility and biological imaging capability. • Metal free ATRP can overcome the toxic and fluorescence quenching effects of metal catalysts of conventional ATRP. - Abstract: The Eu"3"+ doped luminescent hydroxyapatite (HAp) nanorods with uniform size and morphology can be synthesized by hydrothermal route. However, these HAp nanorods are coated by hydrophobic oleylamine, which makes them difficult to be dispersed in aqueous solution and impede their biomedical applications. In this work, Eu"3"+ doped luminescent polymers functionalized HAp nanorods were prepared through the combination of ligand exchange reaction and metal free surface initiated atom transfer radical polymerization (ATRP) method. In this procedure, the amino group functionalized HAp nanorods were first prepared by ligand exchange reaction using adenosine monophosphate (AMP) as ligand. Then the Br-containing initiators (HAp-Br) were introduced onto the surface of HAp-AMP nanorods through the amidation reaction. Finally, polymers functionalized HAp nanorods were prepared by metal free ATRP method using poly(ethylene glycol) methacrylate (PEGMA) as monomer and 10-phenylphenothiazine (PTH) as organic photocatalyst. The properties of these obtained HAp nanocomposites (HAP-polyPEGMA nanorods) were characterized by means of transmission electron microscopy, Fourier transformed infrared spectroscopy, X-ray photoelectron spectroscopy and thermogravimetric analysis in detail. The cell imaging of these HAP-polyPEGMA nanorods was examined using laser scanning confocal microscope to evaluate their biomedical applications. We demonstrated for the first time that hydrophobic luminescent HAp nanorods can be functionalized with polyPEGMA through the combination of ligand exchange reaction and metal free surface initiated

  3. Direct Observation of Surface Potential Distribution in Insulation Resistance Degraded Acceptor-Doped BaTiO3 Multilayered Ceramic Capacitors

    Science.gov (United States)

    Hong, Kootak; Lee, Tae Hyung; Suh, Jun Min; Park, Jae-Sung; Kwon, Hyung-Soon; Choi, Jaeho; Jang, Ho Won

    2018-05-01

    Insulation resistance (IR) degradation in BaTiO3 is a key issue for developing miniaturized multilayer ceramic capacitors (MLCCs) with high capacity. Despite rapid progress in BaTiO3-based MLCCs, the mechanism of IR degradation is still controversial. In this study, we demonstrate the Al doping effect on IR degradation behavior of BaTiO3 MLCCs by electrical measurements and scanning Kelvin probe microscopy (SKPM). As the Al doping concentration in BaTiO3 increases, IR degradation of MLCCs seems to be suppressed from electrical characterization results. However, SKPM results reveal that the conductive regions near the cathode become lager with Al doping after IR degradation. The formation of conducting regions is attributed to the migration of oxygen vacancies, which is the origin of IR degradation in BaTiO3, in dielectric layers. These results imply that acceptor doping in BaTiO3 solely cannot suppress the IR degradation in MLCC even though less asymmetric IR characteristics and IR degradation in MLCCs with higher Al doping concentration are observed from electrical characterization. Our results strongly suggest that observing the surface potential distribution in IR degraded dielectric layers using SKPM is an effective method to unravel the mechanism of IR degradation in MLCCs.

  4. Impact of nitrogen doping of niobium superconducting cavities on the sensitivity of surface resistance to trapped magnetic flux

    Science.gov (United States)

    Gonnella, Dan; Kaufman, John; Liepe, Matthias

    2016-02-01

    Future particle accelerators such as the SLAC "Linac Coherent Light Source-II" (LCLS-II) and the proposed Cornell Energy Recovery Linac require hundreds of superconducting radio-frequency (SRF) niobium cavities operating in continuous wave mode. In order to achieve economic feasibility of projects such as these, the cavities must achieve a very high intrinsic quality factor (Q0) to keep cryogenic losses within feasible limits. To reach these high Q0's in the case of LCLS-II, nitrogen-doping of niobium cavities has been selected as the cavity preparation technique. When dealing with Q0's greater than 1 × 1010, the effects of ambient magnetic field on Q0 become significant. Here, we show that the sensitivity to RF losses from trapped magnetic field in a cavity's walls is strongly dependent on the cavity preparation. Specifically, standard electropolished and 120 °C baked cavities show a sensitivity of residual resistance from trapped magnetic flux of ˜0.6 and ˜0.8 nΩ/mG trapped, respectively, while nitrogen-doped cavities show a higher sensitivity of residual resistance from trapped magnetic flux of ˜1 to 5 nΩ/mG trapped. We show that this difference in sensitivities is directly related to the mean free path of the RF surface layer of the niobium: shorter mean free paths lead to less sensitivity of residual resistance to trapped magnetic flux in the dirty limit (ℓ ≪ ξ0), while longer mean free paths lead to lower sensitivity of residual resistance to trapped magnetic flux in the clean limit (ℓ ≫ ξ0). These experimental results are also shown to have good agreement with recent theoretical predictions for pinned vortex lines oscillating in RF fields.

  5. Study of strontium- and magnesium-doped lanthanum gallate solid electrolyte surface by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Datta, Pradyot; Majewski, Peter; Aldinger, Fritz

    2008-01-01

    The chemical states of the surface of the oxygen ion conducting solid electrolyte La 0.9 Sr 0.1 Ga 0.85 Mg 0.15 O 3-δ (LSGM 1015) as prepared by solid-state synthesis was analyzed by X-ray photoelectron spectroscopy. It was found that adventitious carbon did not interact with any of the constituent elements of LSGM 1015. Ga and La were found to exist in trivalent states. But, due to ionic bombardment presence of Mg could not be detected in the electrolyte surface

  6. Surface modification effects of fluorine-doped tin dioxide by oxygen plasma ion implantation

    Science.gov (United States)

    Tang, Peng; Liu, Cai; Zhang, Jingquan; Wu, Lili; Li, Wei; Feng, Lianghuan; Zeng, Guanggen; Wang, Wenwu

    2018-04-01

    SnO2:F (FTO), as a kind of transparent conductive oxide (TCO), exhibits excellent transmittance and conductivity and is widely used as transparency electrodes in solar cells. It's very important to modifying the surface of FTO for it plays a critical role in CdTe solar cells. In this study, modifying effects of oxygen plasma on FTO was investigated systematically. Oxygen plasma treatment on FTO surface with ion accelerating voltage ranged from 0.4 kV to 1.6 kV has been processed. The O proportion of surface was increased after ion implantation. The Fermi level of surface measurement by XPS valance band spectra was lowered as the ion accelerating voltage increased to 1.2 kV and then raised as accelerating voltage was elevated to 1.6 kV. The work function measured by Kelvin probe force microscopy increased after ion implanting, and it was consistent with the variation of Fermi level. The change of energy band structure of FTO surface mainly originated from the surface composition variation. As FTO conduction was primarily due to oxyanion hole, the carrier was electron and its concentration was reduced while O proportion was elevated at the surface of FTO, as a result, the Fermi level lowered and the work function was enlarged. It was proved that oxygen plasma treatment is an effective method to modulate the energy band structure of the surface as well as other properties of FTO, which provides much more space for interface and surface modification and then photoelectric device performance promotion.

  7. Zr doping effect with low-cost solid-state reaction method to synthesize submicron Li4Ti5O12 anode material

    Science.gov (United States)

    Seo, Inseok; Lee, Cheul-Ro; Kim, Jae-Kwang

    2017-09-01

    To improve the electrochemical properties, fine Zr-doping Li4Ti5O12 anode materials for rechargeable lithium batteries with a uniform particle size distribution were synthesized by a modified solid-state reaction using fine Li2CO3 and TiO2 (anatase) powders as precursors with a Li:Ti molar ratio of 4:5. The use of fine Li2CO3 and TiO2 (anatase) powders as precursors prevented the formation of ZrO2 at 0.1 mol Zr-doping. XRD analysis revealed that the substitution of Zr for Ti leads to the increase of lattice parameters, allowing improved Li diffusion. The discharge capacity retention increased slightly with Zr-doping and the 0.1 mol Zr-doped Li4Ti5O12 electrode achieved 99% retention of discharge capacity.

  8. Thermal stability and surface acidity of mesoporous silica doubly doped by incorporation of sulfate and zirconium ions

    International Nuclear Information System (INIS)

    Salas, P.; Chen, L.F.; Wang, J.A.; Armendariz, H.; Guzman, M.L.; Montoya, J.A.; Acosta, D.R.

    2005-01-01

    A sulfated Si-Zr-MCM-41 solid with highly ordered mesostructure was synthesized through a templated synthesis route where the CTAB surfactant was used as template. During the synthesis procedure, various amounts of (NH 4 ) 2 SO 4 were added into the mixed solution of Zr and Si precursors to in situ sulfate the MCM-41 solids, aiming to enhance the acidity and thermal stability. The resultant materials showed a long-range ordered hexagonal arrangement with high surface area larger than 797 m 2 /g and an average pore size distributed at approximate 2.5-2.8 nm. The high-resolution TEM observations confirmed that the order of the mesostructure gained when the molar ratio of SO 4 2- /(ZrO 2 + SiO 2 ) increased from 0.1 to 0.3 but decreased as it reached 0.5, which is consistent with the results of 29 Si MAS-NMR and XRD analysis. Compared to Si-MCM-41, the (Q 2 + Q 3 )/Q 4 ratio derived from the NMR spectra of the Zr-doped sample was higher, indicating that zirconium atoms were incorporated into the silica framework. Unexpectedly, in situ sulfation does not enhance the surface Broensted acidity, most likely due to the sulfur retained within the bulk of the materials; however, it indeed improved the thermal stability of the solid and long-range order of the structure

  9. The approach of in-situ doping ion conductor fabricated with the cathodic arc plasma for all-solid-state electrochromic devices

    Directory of Open Access Journals (Sweden)

    Min-Chuan Wang

    2018-01-01

    Full Text Available The all-solid-state electrochromic device (ECD with the one substrate structure fabricated by the reactive dc magnetron sputtering (DCMS and in-situ doping cathodic vacuum arc plasma (CVAP technology has been developed. The electrochromic (EC layer and ion conductor layer were deposited by reactive DCMS and CVAP technology, respectively. The in-situ doping ion conductor Ta2O5 deposited by the CVAP technology has provided the better material structure for ion transportation and showed about 2 times ion conductivity than the external doping process. The all-solid-state ECD with the in-situ doping CVAP ion conductor layer has demonstrated a maximum transmittance variation (ΔT of 71% at 550 nm, and a faster switching speed. The lower production cost and higher process stability could be achieved by the application of in-situ doping CVAP technology without breaking the vacuum process. Furthermore, the ion doping process with the reuse of energy during the CVAP process is not only decreasing the process steps, but also reducing the process energy consumption.

  10. Final state effects in photoemission studies of Fermi surfaces

    International Nuclear Information System (INIS)

    Kurtz, Richard L; Browne, Dana A; Mankey, Gary J

    2007-01-01

    Photoelectron spectroscopy is one of the most important methods for extracting information about the Fermi surface (FS) of materials. An electron photoexcited from the FS is emitted from the crystal conserving the parallel momentum, k parallel , while the perpendicular momentum k perpendicular is reduced due to the surface potential barrier. A simple interpretation of the process assumes the final state is free-electron-like allowing one to 'map' the detected photoelectron back to its initial k momentum. There are multiple final state effects that can complicate the interpretation of photoelectron data and these effects are reviewed here. These can involve both energy and k broadening, which can give rise to shadow or ghost FS contours, scattering and final state diffraction effects that modify intensities, and matrix element effects which reflect the symmetries of the states involved and can be highly dependent on photon polarization. These matrix elements result in contours of photoelectron intensity that follow the dispersion in k-space of the initial state, the FS, and the final state. Locations where intensities go to zero due to matrix element and symmetry effects can result in gaps where FS contours 'disappear'. Recognition that these effects can play a significant role in determining the measured angular distributions is crucial in developing an informed model of where the FS contours actually lie in relation to measured intensity contours

  11. Valence band states in Si-based p-type delta-doped field effect transistors

    International Nuclear Information System (INIS)

    Martinez-Orozco, J C; Vlaev, Stoyan J

    2009-01-01

    We present tight-binding calculations of the hole level structure of δ-doped Field Effect Transistor in a Si matrix within the first neighbors sp 3 s* semi-empirical tight-binding model including spin. We employ analytical expressions for Schottky barrier potential and the p-type δ-doped well based on a Thomas-Fermi approximation, we consider these potentials as external ones, so in the computations they are added to the diagonal terms of the tight-binding Hamiltonian, by this way we have the possibility to study the energy levels behavior as we vary the backbone parameters in the system: the two-dimensional impurity density (p 2d ) of the p-type δ-doped well and the contact voltage (V c ). The aim of this calculation is to demonstrate that the tight-binding approximation is suitable for device characterization that permits us to propose optimal values for the input parameters involved in the device design.

  12. Valence band states in Si-based p-type delta-doped field effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Orozco, J C; Vlaev, Stoyan J, E-mail: jcmover@correo.unam.m [Unidad Academica de Fisica, Universidad Autonoma de Zacatecas, Calzada Solidaridad esquina con Paseo la Bufa S/N, C.P. 98060, Zacatecas, Zac. (Mexico)

    2009-05-01

    We present tight-binding calculations of the hole level structure of delta-doped Field Effect Transistor in a Si matrix within the first neighbors sp{sup 3}s* semi-empirical tight-binding model including spin. We employ analytical expressions for Schottky barrier potential and the p-type delta-doped well based on a Thomas-Fermi approximation, we consider these potentials as external ones, so in the computations they are added to the diagonal terms of the tight-binding Hamiltonian, by this way we have the possibility to study the energy levels behavior as we vary the backbone parameters in the system: the two-dimensional impurity density (p{sub 2d}) of the p-type delta-doped well and the contact voltage (V{sub c}). The aim of this calculation is to demonstrate that the tight-binding approximation is suitable for device characterization that permits us to propose optimal values for the input parameters involved in the device design.

  13. Evolution of ground-state wave function in CeCoIn5 upon Cd or Sn doping

    Science.gov (United States)

    Chen, K.; Strigari, F.; Sundermann, M.; Hu, Z.; Fisk, Z.; Bauer, E. D.; Rosa, P. F. S.; Sarrao, J. L.; Thompson, J. D.; Herrero-Martin, J.; Pellegrin, E.; Betto, D.; Kummer, K.; Tanaka, A.; Wirth, S.; Severing, A.

    2018-01-01

    We present linear polarization-dependent soft-x-ray absorption spectroscopy data at the Ce M4 ,5 edges of Cd- and Sn-doped CeCoIn5. The 4 f ground-state wave functions have been determined for their superconducting, antiferromagnetic, and paramagnetic ground states. The absence of changes in the wave functions in CeCo (In1-xCdx) 5 suggests that the 4 f -conduction-electron (c f ) hybridization is not affected by global Cd doping, thus supporting the interpretation of magnetic droplets nucleating long-range magnetic order. This is contrasted by changes in the wave function due to Sn substitution. Increasing Sn in CeCo (In1-ySny) 5 compresses the 4 f orbitals into the tetragonal plane of these materials, suggesting enhanced c f hybridization with the in-plane In(1) atoms and a homogeneous altering of the electronic structure. As these experiments show, the 4 f wave functions are a very sensitive probe of small changes in the hybridization of 4 f and conduction electrons, even conveying information about direction dependencies.

  14. Eta products, BPS states and K3 surfaces

    Energy Technology Data Exchange (ETDEWEB)

    He, Yang-Hui [Department of Mathematics, City University,London, EC1V 0HB (United Kingdom); School of Physics, NanKai University,Tianjin, 300071 (China); Merton College, University of Oxford,Oxford, OX14JD (United Kingdom); McKay, John [Department of Mathematics and Statistics, Concordia University,1455 de Maisonneuve Blvd. West, Montreal, Quebec, H3G 1M8 (Canada)

    2014-01-22

    Inspired by the multiplicative nature of the Ramanujan modular discriminant, Δ, we consider physical realizations of certain multiplicative products over the Dedekind eta-function in two parallel directions: the generating function of BPS states in certain heterotic orbifolds and elliptic K3 surfaces associated to congruence subgroups of the modular group. We show that they are, after string duality to type II, the same K3 surfaces admitting Nikulin automorphisms. In due course, we will present identities arising from q-expansions as well as relations to the sporadic Mathieu group M{sub 24}.

  15. Band mapping of surface states vs. adsorbate coverage

    International Nuclear Information System (INIS)

    Rotenberg, E.; Kevan, S.D.; Denlinger, J.D.; Chung, Jin-Wook

    1997-01-01

    The theory of electron bands, which arises from basic quantum mechanical principles, has been the cornerstone of solid state physics for over 60 years. Simply put, an energy band is an electron state in a solid whose energy varies with its momentum (similar to, but with a more complicated dependence than, how a free electron's energy is proportional to its momentum squared). Much attention over the last 15 years has been given to the study of band structure of surfaces and interfaces, especially as the applications of these two-dimensional systems have become increasingly important to industry and science. The ultraESCA endstation at beamline 7.01 at the Advanced Light Source was developed for very high-energy - (∼50 meV) and angular - ( 12 photons/sec) makes the detailed study of the evolution of bands possible. The authors are interested in learning how, when one forms a chemical bond between a metal and an overlaying atom or molecule, the resulting charge transfer to or from the adsorbate affects the surface bands. In some cases of interest, intermediate coverages lead to different band structure than at the extremes of clean and saturated surfaces. Surfaces of tungsten are particularly interesting, as their atomic geometry has been shown to be exquisitely sensitive to both the surface vibrational and electronic properties. In this study, the authors looked at the surface bands of tungsten ((110) surface), as a function both of coverage and mass of overlaying atoms. The adsorbed atoms were hydrogen and the alkali atoms lithium and cesium

  16. Mechanochemically assisted solid-state and citric acid complex syntheses of Cu-doped sodium cobaltite ceramics

    International Nuclear Information System (INIS)

    Pršić, S.; Savić, S.M.; Branković, Z.; Vrtnik, S.; Dapčević, A.; Branković, G.

    2015-01-01

    Highlights: • Sodium cobaltite was synthesized by mechanochemically assisted solid-state reaction and citric acid complex (CAC) method. • We investigated effect of Cu-doping in NaCo 2−x Cu x O 4 (x = 0, 0.01, 0.03, 0.05). • ICP analysis showed that the controlling of the samples composition is easier by the CAC method. • The Seebeck coefficient in Cu-doped samples was higher compared to the undoped one. • The highest figure of merit was observed in the sample with the lowest Cu concentration. - Abstract: In the last decade, the sodium cobaltite ceramic became a promising candidate for potential thermoelectric applications, because of its large thermopower and low resistivity. In this work, polycrystalline samples of NaCo 2−x Cu x O 4 (x = 0, 0.01, 0.03, 0.05) were prepared using mechanochemically assisted solid-state reaction method (MASSR) and the citric acid complex method (CAC). Bulk samples were prepared by pressing into disc-shaped pellets and subsequently subjected to a thermal treatment at 880 °C in inert argon atmosphere. Changes in structural and microstructural characteristics of the samples, caused by the substitution of Cu for Co, were characterized using X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM), respectively. The results of inductively coupled plasma (ICP) analysis showed that the compositions of the final products correspond to γ-NaCo 2 O 4 and confirmed that desired compound was obtained in both syntheses procedures. The advantages and disadvantages of these two syntheses procedures have been observed and discussed: the CAC method enabled obtaining samples with higher density and fine microstructure compared to the MASSR method, thus better thermoelectric properties. The Cu 2+ substitution led to the increase in Seebeck coefficient in both synthesis routes. The highest figure of merit of 0.022 at 300 K was observed for the sample doped with 1 mol% Cu, obtained by the CAC method, and it was almost twice

  17. Mechanochemically assisted solid-state and citric acid complex syntheses of Cu-doped sodium cobaltite ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Pršić, S., E-mail: sanjaprsic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Savić, S.M., E-mail: slavicas@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Branković, Z., E-mail: zorica.brankovic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Vrtnik, S., E-mail: stane.vrtnik@ijs.si [Institute Jožef Stefan, Condensed Matter Physics, Jamova cesta 39, 1000 Ljubljana (Slovenia); Dapčević, A., E-mail: hadzi-tonic@tmf.bg.ac.rs [Department of General and Inorganic Chemistry, Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia); Branković, G., E-mail: goran.brankovic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia)

    2015-08-15

    Highlights: • Sodium cobaltite was synthesized by mechanochemically assisted solid-state reaction and citric acid complex (CAC) method. • We investigated effect of Cu-doping in NaCo{sub 2−x}Cu{sub x}O{sub 4} (x = 0, 0.01, 0.03, 0.05). • ICP analysis showed that the controlling of the samples composition is easier by the CAC method. • The Seebeck coefficient in Cu-doped samples was higher compared to the undoped one. • The highest figure of merit was observed in the sample with the lowest Cu concentration. - Abstract: In the last decade, the sodium cobaltite ceramic became a promising candidate for potential thermoelectric applications, because of its large thermopower and low resistivity. In this work, polycrystalline samples of NaCo{sub 2−x}Cu{sub x}O{sub 4} (x = 0, 0.01, 0.03, 0.05) were prepared using mechanochemically assisted solid-state reaction method (MASSR) and the citric acid complex method (CAC). Bulk samples were prepared by pressing into disc-shaped pellets and subsequently subjected to a thermal treatment at 880 °C in inert argon atmosphere. Changes in structural and microstructural characteristics of the samples, caused by the substitution of Cu for Co, were characterized using X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM), respectively. The results of inductively coupled plasma (ICP) analysis showed that the compositions of the final products correspond to γ-NaCo{sub 2}O{sub 4} and confirmed that desired compound was obtained in both syntheses procedures. The advantages and disadvantages of these two syntheses procedures have been observed and discussed: the CAC method enabled obtaining samples with higher density and fine microstructure compared to the MASSR method, thus better thermoelectric properties. The Cu{sup 2+} substitution led to the increase in Seebeck coefficient in both synthesis routes. The highest figure of merit of 0.022 at 300 K was observed for the sample doped with 1 mol% Cu, obtained by

  18. Coating of hydroxyapatite doped Ag on commercially pure titanium surface; Recobrimento de hidroxiapatita dopada com Ag sobre superficie de titanio comercialmente puro

    Energy Technology Data Exchange (ETDEWEB)

    Vieira, Jonas de Oliveira; Vercik, Luci Cristina de Oliveira; Rigo, Eliana Cristina da Silva, E-mail: jonasvieira@usp.br [Universidade de Sao Paulo (USP), SP (Brazil)

    2012-07-01

    This paper presents results of bioactive coating on commercially pure titanium surface (CpTi) doped with Ag ions. The coating consists of 3 steps, in step 1- surface chemical treatment of the samples with NaOH, step 2 - immersing the substrate in question in a sodium silicate solution (SS) to the nucleation and step 3 - reimmersion these substrates in synthetic solution that simulates the blood serum for precipitation and growth of apatite layer. After the coating step the AgNO{sub 3} substrates were immersed in solutions with concentrations of 20 ppm and 100 ppm at 37 ° C for 48h. The substrates were characterized by scanning electron microscopy (SEM), infrared spectroscopy (IR) and X-ray diffraction (XRD). By the results verified the formation of an apatite layer with aspects of cells, on the surface of CpTi. The increase in Ag concentration causes an increase in Ag amount doped in apatite layer. With the results we concluded that it is possible to obtain an apatite layer on a metal surface as the CpTi doped with Ag ions.

  19. Correlation of Mn charge state with the electrical resistivity of Mn doped indium tin oxide thin films

    KAUST Repository

    Kumar, S. R. Sarath; Hedhili, Mohamed N.; Alshareef, Husam N.; Kasiviswanathan, S.

    2010-01-01

    Correlation of charge state of Mn with the increase in resistivity with Mn concentration is demonstrated in Mn-doped indium tin oxide films. Bonding analysis shows that Mn 2p3/2 core level can be deconvoluted into three components corresponding to Mn2+ and Mn4+ with binding energies 640.8 eV and 642.7 eV, respectively, and a Mn2+ satellite at ∼5.4 eV away from the Mn2+ peak. The presence of the satellite peak unambiguously proves that Mn exists in the +2 charge state. The ratio of concentration of Mn2+ to Mn4+ of ∼4:1 suggests that charge compensation occurs in the n-type films causing the resistivity increase.

  20. Correlation of Mn charge state with the electrical resistivity of Mn doped indium tin oxide thin films

    KAUST Repository

    Kumar, S. R. Sarath

    2010-09-15

    Correlation of charge state of Mn with the increase in resistivity with Mn concentration is demonstrated in Mn-doped indium tin oxide films. Bonding analysis shows that Mn 2p3/2 core level can be deconvoluted into three components corresponding to Mn2+ and Mn4+ with binding energies 640.8 eV and 642.7 eV, respectively, and a Mn2+ satellite at ∼5.4 eV away from the Mn2+ peak. The presence of the satellite peak unambiguously proves that Mn exists in the +2 charge state. The ratio of concentration of Mn2+ to Mn4+ of ∼4:1 suggests that charge compensation occurs in the n-type films causing the resistivity increase.

  1. Investigation on structural, surface morphological and dielectric properties of Zn-doped SnO{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Sagadevan, Suresh [Department of Physics, AMET University, Chennai (India); Podder, Jiban, E-mail: sureshsagadevan@gmail.com [Department of Chemical and Biological Engineering, University of Saskatchewan (Canada)

    2016-03-15

    Zinc doped Tin oxide (SnO{sub 2}) nanoparticles were prepared by co-precipitation method. The average crystallite size of pure and Zn-doped SnO{sub 2} nanoparticles was calculated from the X-ray diffraction (XRD) pattern. The FT-IR spectrum indicated the strong presence of SnO{sub 2} nanoparticles. The morphology and the particle size were studied using the scanning electron microscope (SEM) and transmission electron microscope (TEM). The particle size of the Zn-doped SnO{sub 2} nanoparticles was also analyzed, using the Dynamic Light Scattering (DLS) experiment. The optical properties were studied by the UV-Visible absorption spectrum. The dielectric properties of Zn-doped SnO{sub 2} nanoparticles were studied at different frequencies and temperatures. The ac conductivity of Zn-doped SnO{sub 2} nanoparticles was also studied. (author)

  2. Free energy surfaces in the superconducting mixed state

    Science.gov (United States)

    Finnemore, D. K.; Fang, M. M.; Bansal, N. P.; Farrell, D. E.

    1989-01-01

    The free energy surface for Tl2Ba2Ca2Cu3O1O has been measured as a function of temperature and magnetic field to determine the fundamental thermodynamic properties of the mixed state. The change in free energy, G(H)-G(O), is found to be linear in temperature over a wide range indicating that the specific heat is independent of field.

  3. Surface States and Effective Surface Area on Photoluminescent P-Type Porous Silicon

    Science.gov (United States)

    Weisz, S. Z.; Porras, A. Ramirez; Resto, O.; Goldstein, Y.; Many, A.; Savir, E.

    1997-01-01

    The present study is motivated by the possibility of utilizing porous silicon for spectral sensors. Pulse measurements on the porous-Si/electrolyte system are employed to determine the surface effective area and the surface-state density at various stages of the anodization process used to produce the porous material. Such measurements were combined with studies of the photoluminescence spectra. These spectra were found to shift progressively to the blue as a function of anodization time. The luminescence intensity increases initially with anodization time, reaches a maximum and then decreases with further anodization. The surface state density, on the other hand, increases with anodization time from an initial value of about 2 x 10(exp 12)/sq cm surface to about 1013 sq cm for the anodized surface. This value is attained already after -2 min anodization and upon further anodization remains fairly constant. In parallel, the effective surface area increases by a factor of 10-30. This behavior is markedly different from the one observed previously for n-type porous Si.

  4. Flow boiling heat transfer enhancement on copper surface using Fe doped Al{sub 2}O{sub 3}–TiO{sub 2} composite coatings

    Energy Technology Data Exchange (ETDEWEB)

    Sujith Kumar, C.S., E-mail: sujithdeepam@gmail.com [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Suresh, S., E-mail: ssuresh@nitt.edu [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Aneesh, C.R., E-mail: aneeshcr87@gmail.com [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Santhosh Kumar, M.C., E-mail: santhoshmc@nitt.edu [Department of Physics, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Praveen, A.S., E-mail: praveen_as_1215@yahoo.co.in [Department of Mechanical Engineering, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu (India); Raji, K., E-mail: raji.kochandra@gmail.com [School of Nano Science and Technology, National Institute of Technology, Calicut 673601, Kerala (India)

    2015-04-15

    Graphical abstract: - Highlights: • Fe–Al{sub 2}O{sub 3}–TiO{sub 2} composite coatings were coated on the copper using spray pyrolysis. • Effect of Fe doping on porosity was determined using AFM. • Effect of Fe doping on hydrophilicity was determined. • Higher enhancement in CHF was obtained for 7.2 at% Fe doped coated sample. - Abstract: In the present work, flow boiling experiments were conducted to study the effect of spray pyrolyzed Fe doped Al{sub 2}O{sub 3}–TiO{sub 2} composite coatings over the copper heater blocks on critical heat flux (CHF) and boiling heat transfer coefficient. Heat transfer studies were conducted in a mini-channel of overall dimension 30 mm × 20 mm × 0.4 mm using de-mineralized water as the working fluid. Each coated sample was tested for two mass fluxes to explore the heat transfer performance. The effect of Fe addition on wettability and porosity of the coated surfaces were measured using the static contact angle metre and the atomic force microscope (AFM), and their effect on flow boiling heat transfer were investigated. A significant enhancement in CHF and boiling heat transfer coefficient were observed on all coated samples compared to sand blasted copper surface. A maximum enhancement of 52.39% and 44.11% in the CHF and heat transfer coefficient were observed for 7.2% Fe doped TiO{sub 2}–Al{sub 2}O{sub 3} for a mass flux of 88 kg/m{sup 2} s.

  5. Simultaneous detection of transgenic DNA by surface plasmon resonance imaging with potential application to gene doping detection.

    Science.gov (United States)

    Scarano, Simona; Ermini, Maria Laura; Spiriti, Maria Michela; Mascini, Marco; Bogani, Patrizia; Minunni, Maria

    2011-08-15

    Surface plasmon resonance imaging (SPRi) was used as the transduction principle for the development of optical-based sensing for transgenes detection in human cell lines. The objective was to develop a multianalyte, label-free, and real-time approach for DNA sequences that are identified as markers of transgenosis events. The strategy exploits SPRi sensing to detect the transgenic event by targeting selected marker sequences, which are present on shuttle vector backbone used to carry out the transfection of human embryonic kidney (HEK) cell lines. Here, we identified DNA sequences belonging to the Cytomegalovirus promoter and the Enhanced Green Fluorescent Protein gene. System development is discussed in terms of probe efficiency and influence of secondary structures on biorecognition reaction on sensor; moreover, optimization of PCR samples pretreatment was carried out to allow hybridization on biosensor, together with an approach to increase SPRi signals by in situ mass enhancement. Real-time PCR was also employed as reference technique for marker sequences detection on human HEK cells. We can foresee that the developed system may have potential applications in the field of antidoping research focused on the so-called gene doping.

  6. Systematic and efficient navigating potential energy surface: Data for silver doped gold clusters

    Directory of Open Access Journals (Sweden)

    Vitaly V. Chaban

    2016-06-01

    Full Text Available Locating global minimum of certain atomistic ensemble is known to be a highly challenging and resource consuming task. This dataset represents joint usage of the semi-empirical PM7 Hamiltonian, Broyden–Fletcher–Goldfarb–Shanno algorithm and basin hopping scheme to navigate a potential energy surface. The Au20 nanocluster was used for calibration as its global minimum structure is well-known. Furthermore, Au18Ag2 and Au15Ag5 were simulated for illustration of the algorithm performance. The work shows encouraging results and, particularly, underlines proper accuracy of PM7 as applied to this type of heavy metal systems. The reported dataset motivates to use the benchmarked method for studying potential energy surfaces of manifold systems and locate their global-minimum atomistic configurations.

  7. Systematic and efficient navigating potential energy surface: Data for silver doped gold clusters.

    Science.gov (United States)

    Chaban, Vitaly V

    2016-06-01

    Locating global minimum of certain atomistic ensemble is known to be a highly challenging and resource consuming task. This dataset represents joint usage of the semi-empirical PM7 Hamiltonian, Broyden-Fletcher-Goldfarb-Shanno algorithm and basin hopping scheme to navigate a potential energy surface. The Au20 nanocluster was used for calibration as its global minimum structure is well-known. Furthermore, Au18Ag2 and Au15Ag5 were simulated for illustration of the algorithm performance. The work shows encouraging results and, particularly, underlines proper accuracy of PM7 as applied to this type of heavy metal systems. The reported dataset motivates to use the benchmarked method for studying potential energy surfaces of manifold systems and locate their global-minimum atomistic configurations.

  8. Food contact surfaces coated with nitrogen-doped titanium dioxide: effect on Listeria monocytogenes survival under different light sources

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, D.; Teixeira, P. [Institute for Biotechnology and Bioengineering, Centre of Biological Engineering, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Tavares, C.J. [Center of Physics, University of Minho, Campus de Azurém, 4800-058 Guimarães (Portugal); Azeredo, J., E-mail: jazeredo@deb.uminho.pt [Institute for Biotechnology and Bioengineering, Centre of Biological Engineering, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal)

    2013-04-01

    Improvement of food safety is a very important issue, and is on the basis of production and application of new/modified food contact surfaces. Titanium dioxide (TiO{sub 2}) and, more recently, nitrogen-doped titanium dioxide (N-TiO{sub 2}) coatings are among the possible forms to enhance food contact surfaces performance in terms of higher hygiene and easier sanitation. In this context, the present work aimed at evaluating the bactericidal activity of an N-TiO{sub 2} coating on glass and stainless steel under two different sources of visible light – fluorescent and incandescent – and ultraviolet (UV) irradiation. Listeria monocytogenes was chosen as representative of major foodborne pathogens and its survival was tested on N-TiO{sub 2} coated coupons. In terms of survival percentage, good results were obtained after exposure of coated surfaces to all light types since, apart from the value obtained after exposing glass to fluorescent light (56.3%), survival rates were always below 50%. However, no effective disinfection was obtained, given that for a disinfectant or sanitizing agent to be claimed as effective it needs to be able to promote at least a 3-log reduction of the microbial load, which was not observed for any of the experimental conditions assessed. Even so, UV irradiation was the most successful on eliminating cells on coated surfaces, since the amount of bacteria was reduced to 1.49 × 10{sup 6} CFU/ml on glass and 2.37 × 10{sup 7} on stainless steel. In contrast, both visible light sources had only slightly decreased the amount of viable cells, which remained in the range of 8 log CFU/ml. Hence, although some bactericidal effect was accomplished under visible light, UV was the most effective light source on promoting photocatalytic reactions on N-TiO{sub 2} coated coupons and none of the experimental conditions have reached a satisfactory disinfection level. Thus, this surface coating needs further research and improvement in order to become truly

  9. Food contact surfaces coated with nitrogen-doped titanium dioxide: effect on Listeria monocytogenes survival under different light sources

    International Nuclear Information System (INIS)

    Rodrigues, D.; Teixeira, P.; Tavares, C.J.; Azeredo, J.

    2013-01-01

    Improvement of food safety is a very important issue, and is on the basis of production and application of new/modified food contact surfaces. Titanium dioxide (TiO 2 ) and, more recently, nitrogen-doped titanium dioxide (N-TiO 2 ) coatings are among the possible forms to enhance food contact surfaces performance in terms of higher hygiene and easier sanitation. In this context, the present work aimed at evaluating the bactericidal activity of an N-TiO 2 coating on glass and stainless steel under two different sources of visible light – fluorescent and incandescent – and ultraviolet (UV) irradiation. Listeria monocytogenes was chosen as representative of major foodborne pathogens and its survival was tested on N-TiO 2 coated coupons. In terms of survival percentage, good results were obtained after exposure of coated surfaces to all light types since, apart from the value obtained after exposing glass to fluorescent light (56.3%), survival rates were always below 50%. However, no effective disinfection was obtained, given that for a disinfectant or sanitizing agent to be claimed as effective it needs to be able to promote at least a 3-log reduction of the microbial load, which was not observed for any of the experimental conditions assessed. Even so, UV irradiation was the most successful on eliminating cells on coated surfaces, since the amount of bacteria was reduced to 1.49 × 10 6 CFU/ml on glass and 2.37 × 10 7 on stainless steel. In contrast, both visible light sources had only slightly decreased the amount of viable cells, which remained in the range of 8 log CFU/ml. Hence, although some bactericidal effect was accomplished under visible light, UV was the most effective light source on promoting photocatalytic reactions on N-TiO 2 coated coupons and none of the experimental conditions have reached a satisfactory disinfection level. Thus, this surface coating needs further research and improvement in order to become truly effective against foodborne

  10. Food contact surfaces coated with nitrogen-doped titanium dioxide: effect on Listeria monocytogenes survival under different light sources

    Science.gov (United States)

    Rodrigues, D.; Teixeira, P.; Tavares, C. J.; Azeredo, J.

    2013-04-01

    Improvement of food safety is a very important issue, and is on the basis of production and application of new/modified food contact surfaces. Titanium dioxide (TiO2) and, more recently, nitrogen-doped titanium dioxide (N-TiO2) coatings are among the possible forms to enhance food contact surfaces performance in terms of higher hygiene and easier sanitation. In this context, the present work aimed at evaluating the bactericidal activity of an N-TiO2 coating on glass and stainless steel under two different sources of visible light - fluorescent and incandescent - and ultraviolet (UV) irradiation. Listeria monocytogenes was chosen as representative of major foodborne pathogens and its survival was tested on N-TiO2 coated coupons. In terms of survival percentage, good results were obtained after exposure of coated surfaces to all light types since, apart from the value obtained after exposing glass to fluorescent light (56.3%), survival rates were always below 50%. However, no effective disinfection was obtained, given that for a disinfectant or sanitizing agent to be claimed as effective it needs to be able to promote at least a 3-log reduction of the microbial load, which was not observed for any of the experimental conditions assessed. Even so, UV irradiation was the most successful on eliminating cells on coated surfaces, since the amount of bacteria was reduced to 1.49 × 106 CFU/ml on glass and 2.37 × 107 on stainless steel. In contrast, both visible light sources had only slightly decreased the amount of viable cells, which remained in the range of 8 log CFU/ml. Hence, although some bactericidal effect was accomplished under visible light, UV was the most effective light source on promoting photocatalytic reactions on N-TiO2 coated coupons and none of the experimental conditions have reached a satisfactory disinfection level. Thus, this surface coating needs further research and improvement in order to become truly effective against foodborne pathogens and

  11. Surface characteristics and antibacterial activity of a silver-doped carbon monolith

    Directory of Open Access Journals (Sweden)

    Marija Vukčević et al

    2008-01-01

    Full Text Available A carbon monolith with a silver coating was prepared and its antimicrobial behaviour in a flow system was examined. The functional groups on the surface of the carbon monolith were determined by temperature-programmed desorption and Boehm's method, and the point of zero charge was determined by mass titration. The specific surface area was examined by N2 adsorption using the Brunauer, Emmett and Teller (BET method. As a test for the surface activity, the deposition of silver from an aqueous solution of a silver salt was used. The morphology and structure of the silver coatings were characterized by scanning electron microscopy and x-ray diffraction. The resistance to the attrition of the silver deposited on the carbon monolith was tested. The antimicrobial activity of the carbon monolith with a silver coating was determined using standard microbiological methods. Carbon monolith samples with a silver coating showed good antimicrobial activity against Escherichia coli, Staphylococcus aureus and Candida albicans, and are therefore suitable for water purification, particularly as personal disposable water filters with a limited capacity.

  12. Nitride surface passivation of GaAs nanowires: impact on surface state density.

    Science.gov (United States)

    Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Ulin, Vladimir P; Lvova, Tatiana V; Filatov, Dmitriy O; Nezhdanov, Alexey V; Mashin, Aleksander I; Berkovits, Vladimir L

    2015-01-14

    Surface nitridation by hydrazine-sulfide solution, which is known to produce surface passivation of GaAs crystals, was applied to GaAs nanowires (NWs). We studied the effect of nitridation on conductivity and microphotoluminescence (μ-PL) of individual GaAs NWs using conductive atomic force microscopy (CAFM) and confocal luminescent microscopy (CLM), respectively. Nitridation is found to produce an essential increase in the NW conductivity and the μ-PL intensity as well evidence of surface passivation. Estimations show that the nitride passivation reduces the surface state density by a factor of 6, which is of the same order as that found for GaAs/AlGaAs nanowires. The effects of the nitride passivation are also stable under atmospheric ambient conditions for six months.

  13. Investigation of the structural, surface, optical and electrical properties of the Indium doped CuxO thin films deposited by a thermionic vacuum arc

    Science.gov (United States)

    Musaoğlu, Caner; Pat, Suat; Özen, Soner; Korkmaz, Şadan; Mohammadigharehbagh, Reza

    2018-03-01

    In this study, investigation of some physical properties of In-doped CuxO thin films onto amorphous glass substrates were done. The thin films were depsoied by thermionic vacuum arc technique (TVA). TVA technique gives a thin film with lower precursor impurity according to the other chemical and physical depsoition methods. The microstructural properties of the produced thin films was determined by x-ray diffraction device (XRD). The thickness values were measured as to be 30 nm and 60 nm, respectively. The miller indices of the thin films’ crystalline planes were determined as to be Cu (111), CuO (\\bar{1} 12), CuInO2 (107) and Cu2O (200), Cu (111), CuO (\\bar{1} 12), CuO (\\bar{2} 02), CuInO2 (015) for sample C1 and C2, respectively. The produced In-doped CuO thin films are in polycrystalline structure. The surface properties of produced In doped CuO thin films were determined by using an atomic force microscope (AFM) and field emission scanning electron microscope (FESEM) tools. The optical properties of the In doped CuO thin films were determined by UV–vis spectrophotometer, interferometer, and photoluminescence devices. p-type semiconductor thin film was obtained by TVA depsoition.

  14. Thermal stability and surface acidity of mesoporous silica doubly doped by incorporation of sulfate and zirconium ions

    Energy Technology Data Exchange (ETDEWEB)

    Salas, P. [Instituto Mexicano del Petroleo, Programa de Ingenieria Molecular, Eje Central Lazaro Cardenas No. 152, 07730 Mexico D.F. (Mexico)]. E-mail: psalas@imp.mx; Chen, L.F. [Departamento de Ingenieria Quimica, Universidad Autonoma Metropolitana-A, Av. San Pablo 180, Col. Reynosa-Tamaulipas, 02200 Mexico D.F. (Mexico); Wang, J.A. [Laboratorio de Catalisis y Materiales, ESIQIE, Instituto Politecnico Nacional, Col. Zacatenco, 07738 Mexico D.F. (Mexico); Armendariz, H. [Instituto Mexicano del Petroleo, Programa de Ingenieria Molecular, Eje Central Lazaro Cardenas No. 152, 07730 Mexico D.F. (Mexico); Guzman, M.L. [Instituto Mexicano del Petroleo, Programa de Ingenieria Molecular, Eje Central Lazaro Cardenas No. 152, 07730 Mexico D.F. (Mexico); Montoya, J.A. [Instituto Mexicano del Petroleo, Programa de Ingenieria Molecular, Eje Central Lazaro Cardenas No. 152, 07730 Mexico D.F. (Mexico); Acosta, D.R. [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, A. P. 20-364, 01000 Mexico D.F. (Mexico)

    2005-11-15

    A sulfated Si-Zr-MCM-41 solid with highly ordered mesostructure was synthesized through a templated synthesis route where the CTAB surfactant was used as template. During the synthesis procedure, various amounts of (NH{sub 4}){sub 2}SO{sub 4} were added into the mixed solution of Zr and Si precursors to in situ sulfate the MCM-41 solids, aiming to enhance the acidity and thermal stability. The resultant materials showed a long-range ordered hexagonal arrangement with high surface area larger than 797 m{sup 2}/g and an average pore size distributed at approximate 2.5-2.8 nm. The high-resolution TEM observations confirmed that the order of the mesostructure gained when the molar ratio of SO{sub 4} {sup 2-}/(ZrO{sub 2} + SiO{sub 2}) increased from 0.1 to 0.3 but decreased as it reached 0.5, which is consistent with the results of {sup 29}Si MAS-NMR and XRD analysis. Compared to Si-MCM-41, the (Q{sup 2} + Q{sup 3})/Q{sup 4} ratio derived from the NMR spectra of the Zr-doped sample was higher, indicating that zirconium atoms were incorporated into the silica framework. Unexpectedly, in situ sulfation does not enhance the surface Broensted acidity, most likely due to the sulfur retained within the bulk of the materials; however, it indeed improved the thermal stability of the solid and long-range order of the structure.

  15. Impact of water quality on removal of carbamazepine in natural waters by N-doped TiO{sub 2} photo-catalytic thin film surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Avisar, Dror, E-mail: drorvi@post.tau.ac.il [The Hydro-Chemistry Laboratory, Faculty of Geography and the Environment, Tel Aviv University, Tel Aviv 69978 (Israel); Horovitz, Inna [The Hydro-Chemistry Laboratory, Faculty of Geography and the Environment, Tel Aviv University, Tel Aviv 69978 (Israel); School of Mechanical Engineering, Faculty of Engineering, Tel Aviv University, Tel Aviv 69978 (Israel); Lozzi, Luca; Ruggieri, Fabrizio [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, I-67010 Coppito, L’Aquila (Italy); Baker, Mark; Abel, Marie-Laure [The Surface Analysis Laboratory, Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Mamane, Hadas [School of Mechanical Engineering, Faculty of Engineering, Tel Aviv University, Tel Aviv 69978 (Israel)

    2013-01-15

    Highlights: ► N-doped TiO{sub 2} thin films have been deposited by sol–gel dip-coating. ► CBZ removal improved with increasing medium pH in the range of 5–9. ► DOC at a concentration of 5 mg/L resulted in an ∼20% reduction in CBZ removal. ► Alkalinity values of 100 mg/L as CaCO{sub 3} resulted in a 40% decrease in CBZ removal. ► Complete suppression of the photocatalytic process in wastewater effluent. -- Abstract: Photocatalytic experiments on the pharmaceutical pollutant carbamazepine (CBZ) were conducted using sol–gel nitrogen-doped TiO{sub 2}-coated glass slides under a solar simulator. CBZ was stable to photodegradation under direct solar irradiation. No CBZ sorption to the catalyst surface was observed, as further confirmed by surface characterization using X-ray photoelectron spectroscopic analysis of N-doped TiO{sub 2} surfaces. When exposing the catalyst surface to natural organic matter (NOM), an excess amount of carbon was detected relative to controls, which is consistent with NOM remaining on the catalyst surface. The catalyst surface charge was negative at pH values from 4 to 10 and decreased with increasing pH, correlated with enhanced CBZ removal with increasing medium pH in the range of 5–9. A dissolved organic carbon concentration of 5 mg/L resulted in ∼20% reduction in CBZ removal, probably due to competitive inhibition of the photocatalytic degradation of CBZ. At alkalinity values corresponding to CaCO{sub 3} addition at 100 mg/L, an over 40% decrease in CBZ removal was observed. A 35% reduction in CBZ occurred in the presence of surface water compared to complete suppression of the photocatalytic process in wastewater effluent.

  16. Development of surface functionalized ZnO-doped LiFePO4/C composites as alternative cathode material for lithium ion batteries

    Science.gov (United States)

    Saroha, Rakesh; Panwar, Amrish K.; Sharma, Yogesh; Tyagi, Pawan K.; Ghosh, Sudipto

    2017-02-01

    Surface modified olivine-type LiFePO4/C-ZnO doped samples were synthesized using sol-gel assisted ball-milling route. In this work, the influence of ZnO-doping on the physiochemical, electrochemical and surface properties such as charge separation at solid-liquid interphase, surface force gradient, surface/ionic conductivity of pristine LiFePO4/C (LFP) has been investigated thoroughly. Synthesized samples were characterized using X-ray diffraction, scanning electron microscopy, atomic force microscopy, and transmission electron microscopy. All the synthesized samples were indexed to the orthorhombic phase with Pnma space group. Pristine LiFePO4 retain its structure for higher ZnO concentrations (i.e. 2.5 and 5.0 wt.% of LFP). Surface topography and surface force gradient measurements by EFM revealed that the kinetics of charge carriers, e-/Li+ is more in ZnO-doped LFP samples, which may be attributed to diffusion or conduction process of the charges present at the surface. Among all the synthesized samples LFP/C with 2.5 wt.% of ZnO (LFPZ2.5) displays the highest discharge capacity at all C-rates and exhibit excellent rate performance. LFPZ2.5 delivers a specific discharge capacity of 164 (±3) mAh g-1 at 0.1C rate. LFPZ2.5 shows best cycling performance as it provides a discharge capacity of 135 (±3) mAh g-1 at 1C rate and shows almost 95% capacity retention after 50 charge/discharge cycles. Energy density plot shows that LFPZ2.5 offers high energy and power density measured at high discharge rates (5C), proving its usability for hybrid vehicles application.

  17. Luminescence and excited state dynamics in Bi3+-doped LiLaP4O12 phosphates

    International Nuclear Information System (INIS)

    Babin, V.; Chernenko, K.; Demchenko, P.; Mihokova, E.; Nikl, M.; Pashuk, I.; Shalapska, T.; Voloshinovskii, A.; Zazubovich, S.

    2016-01-01

    Photo- and X-ray-excited luminescence characteristics of Bi-doped LiLaP 4 O 12 phosphates with different bismuth contents (from 1 to 25 at% in the melt) are investigated in the 4.2–300 K temperature range and compared with the characteristics of the undoped LiLaP 4 O 12 phosphate. The broad 2.95 eV emission band of LiLaP 4 O 12 :Bi excited around 5.4 eV is found to arise from the bismuth dopant. Relatively large FWHM and Stokes shift of the emission band and especially the data on the low-temperature decay kinetics of the 2.95 eV emission and its temperature dependence, indicating a very small spin-orbit splitting energy of the corresponding excited state, allow the conclusion that this emission arises from the radiative decay of the triplet state of an exciton localized around a Bi 3+ ion. No spectral bands are observed, arising from the electron transitions between the energy levels of Bi 3+ ions. Phenomenological model is proposed for the description of the excited state dynamics of the Bi 3+ -related localized exciton in LiLaP 4 O 12 :Bi and the parameters of the triplet localized exciton state are determined. Keywords: Photoluminescence; Time-resolved spectroscopy; Excited states; Bi 3+ centers; LiLaP 4 O 12 :Bi powders

  18. Luminescence characterization of sol-gel derived Pr{sup 3+} doped NaGd(WO{sub 4}){sub 2} phosphors for solid state lighting applications

    Energy Technology Data Exchange (ETDEWEB)

    Durairajan, A., E-mail: durairajan.a@gmail.com [Crystal Growth Centre, Anna University, Chennai, 600025 (India); I3N-Aveiro, Department of Physics, University of Aveiro, Aveiro, 3810 193 (Portugal); Thangaraju, D. [Research Institute of Electronics, Shizuoka University, 3-5-1 Johoku, Hamamatsu, Shizuoka, 432-8011 (Japan); Moorthy Babu, S. [Crystal Growth Centre, Anna University, Chennai, 600025 (India); Valente, M.A. [I3N-Aveiro, Department of Physics, University of Aveiro, Aveiro, 3810 193 (Portugal)

    2016-08-15

    In the present work, xPr{sup 3+}:NaGd(WO{sub 4}){sub 2} (0.5 ≤ x ≤ 5.0 mol%) sub-micron phosphors were synthesised by sol-gel method. Low cost precursors of metal nitrates and low temperature thermal treatment was used compared to conventional solid state reaction. The formation of highly crystalline phosphors with tetragonal structure was confirmed by XRD and increase of Pr{sup 3+} ions content in host matrix leads to expansion of the unit cell volume. The surface morphology, size and particle distribution of the phosphors were observed by field emission scanning electron microscopy (FE-SEM). A rectangular shape particle with a size distribution ranging from 400 to 600 nm and tightly packed surface was seen in FE-SEM micrographs. The various internal and external phonon modes vibration corresponding to double tungstate structure was observed in Raman spectra. The optical properties of the synthesised phosphors were explored by ultraviolet visible (UV–Vis) absorption in diffuse reflectance and photoluminescence (PL) measurements. UV–Vis measurements distinguished the host and Pr{sup 3+} absorption and also reveal an increase in optical band gap values with an increase of Pr{sup 3+}. The PL measurements show various emissions from green and red regions under 450 nm. The maximum intensity emission at 489 nm is due to {sup 3}P{sub 0} → {sup 3}H{sub 4} transition of Pr{sup 3+}. From the maximum emission the critical doping concentration was calculated to be at 3.5 mol% and critical distance between two adjacent Pr{sup 3+} ions as 20.43 Å. - Highlights: • A sol-gel method was used to prepare Pr{sup 3+} doped NaGd(WO{sub 4}){sub 2} at low temperature. • Structural, spectroscopic, morphological, and optical and luminescence properties were studied. • The praseodymium ions are in trivalent state, the site symmetry is distorted and S{sub 4} local symmetry with Na{sup +} ions. • Strong green emission was observed under UV and visible excitation.

  19. Luminescence characterization of sol-gel derived Pr"3"+ doped NaGd(WO_4)_2 phosphors for solid state lighting applications

    International Nuclear Information System (INIS)

    Durairajan, A.; Thangaraju, D.; Moorthy Babu, S.; Valente, M.A.

    2016-01-01

    In the present work, xPr"3"+:NaGd(WO_4)_2 (0.5 ≤ x ≤ 5.0 mol%) sub-micron phosphors were synthesised by sol-gel method. Low cost precursors of metal nitrates and low temperature thermal treatment was used compared to conventional solid state reaction. The formation of highly crystalline phosphors with tetragonal structure was confirmed by XRD and increase of Pr"3"+ ions content in host matrix leads to expansion of the unit cell volume. The surface morphology, size and particle distribution of the phosphors were observed by field emission scanning electron microscopy (FE-SEM). A rectangular shape particle with a size distribution ranging from 400 to 600 nm and tightly packed surface was seen in FE-SEM micrographs. The various internal and external phonon modes vibration corresponding to double tungstate structure was observed in Raman spectra. The optical properties of the synthesised phosphors were explored by ultraviolet visible (UV–Vis) absorption in diffuse reflectance and photoluminescence (PL) measurements. UV–Vis measurements distinguished the host and Pr"3"+ absorption and also reveal an increase in optical band gap values with an increase of Pr"3"+. The PL measurements show various emissions from green and red regions under 450 nm. The maximum intensity emission at 489 nm is due to "3P_0 → "3H_4 transition of Pr"3"+. From the maximum emission the critical doping concentration was calculated to be at 3.5 mol% and critical distance between two adjacent Pr"3"+ ions as 20.43 Å. - Highlights: • A sol-gel method was used to prepare Pr"3"+ doped NaGd(WO_4)_2 at low temperature. • Structural, spectroscopic, morphological, and optical and luminescence properties were studied. • The praseodymium ions are in trivalent state, the site symmetry is distorted and S_4 local symmetry with Na"+ ions. • Strong green emission was observed under UV and visible excitation.

  20. Tuning the surface anisotropy in Fe-doped NiO nanoparticles.

    Science.gov (United States)

    Moura, K O; Lima, R J S; Coelho, A A; Souza-Junior, E A; Duque, J G S; Meneses, C T

    2014-01-07

    Ni(1-x)FexO nanoparticles have been obtained by the co-precipitation chemical route. X-ray diffraction analyses using Rietveld refinement have shown a slight decrease in the microstrain and mean particle size as a function of the Fe content. The zero-field-cooling (ZFC) and field-cooling (FC) magnetization curves show superparamagnetic behavior at high temperatures and a low temperature peak (at T = 11 K), which is enhanced with increasing Fe concentration. Unusual behavior of the coercive field in the low temperature region and an exchange bias behavior were also observed. A decrease in the Fe concentration induces an increase in the exchange bias field. We argue that these behaviors can be linked with the strengthening of surface anisotropy caused by the incorporation of Fe ions.

  1. The electrical, elemental, optical, and surface properties of Si-doped ZnO thin films prepared by thermionic vacuum arc

    Science.gov (United States)

    Mohammadigharehbagh, Reza; Özen, Soner; Yudar, Hafizittin Hakan; Pat, Suat; Korkmaz, Şadan

    2017-09-01

    The purpose of this work is to study the properties of Si-doped ZnO (SZO) thin films, which were prepared using the non-reactive thermionic vacuum arc technique. The analysis of the elemental, optical, and surface properties of ZnO:Si thin films was carried out using energy dispersive x-ray spectroscopy, UV-VIS spectrophotometry, atomic force microscopy, and scanning electron microscopy, respectively. The current-voltage measurement was employed in order to study the electrical properties of the films. The effect of Si doping on the physical properties of ZnO films was investigated. The film thicknesses were measured as 55 and 35 nm for glass and PET substrates, respectively. It was clearly observed from the x-ray diffraction results that the Si and ZnO peaks were present in the coated SZO films for all samples. The morphological studies showed that the deposited surfaces are homogenous, dense, and have a uniform surface, with the existence of some cracks only on the glass substrate. The elemental composition has confirmed the existence of Zn, Si, and O elements within the prepared films. Using a UV-VIS spectrophotometer, the optical parameters such as transmittance, absorbance, refractive index, and reflectance were calculated. It should be noted that the transparency and refractive indices obtained from the measurements decrease with increasing Si concentration. The obtained optical bandgap values using transmittance spectra were determined to be 3.74 and 3.84 eV for the glass and PET substrates, respectively. An increase in the bandgap results demonstrates that the Si doping concentration is comparable to the pure ZnO thin films. The current versus voltage curves revealed the ohmic nature of the films. Subsequently, the development and fabrication of excellent transparent conducting electrodes enabled the appropriate use of Si-doped ZnO thin films.

  2. Theoretical study of ozone adsorption on the surface of Fe, Co and Ni doped boron nitride nanosheets

    Science.gov (United States)

    Farmanzadeh, Davood; Askari Ardehjani, Nastaran

    2018-06-01

    In this work, the adsorption of ozone molecule on Fe, Co and Ni doped boron nitride nanosheets (BNNSs) were investigated using density functional theory. The most stable adsorption configurations, charge transfer and adsorption energy of ozone molecule on pure and doped BNNSs are calculated. It is shown that ozone molecule has no remarkable interaction with pure boron nitride nanosheet, it tends to be chemisorbed on Fe, Co and Ni doped BNNSs with adsorption energy in the range of -249.4 to -686.1 kJ/mol. In all configurations, the adsorption of ozone molecule generates a semiconductor by reducing Eg in the pure and Fe, Co and Ni doped boron nitride nanosheet. It shows that the conductance of BNNSs change over the adsorption of ozone molecule. The obtained results in this study can be used in developing BN-based sheets for ozone molecule removal.

  3. Topologically non-trivial electronic and magnetic states in doped copper Kagome lattices

    Science.gov (United States)

    Guterding, Daniel; Jeschke, Harald O.; Valenti, Roser

    We present a theoretical investigation of doped copper kagome materials based on natural minerals Herbertsmithite [ZnCu3(OH)6Cl2] and Barlowite[Cu4(OH)6FBr]. Using ab-initio density functional theory calculations we estimate the stability of the hypothetical compounds against structural distortions and analyze their electronic and magnetic properties. We find that materials based on Herbertsmithite present an ideal playground for investigating the interplay of non-trivial band-topology and strong electronic correlation effects. In particular, we propose candidates for the Quantum Spin Hall effect at filling 4/3 and the Quantum Anomalous Hall effect at filling 2/3. For the Barlowite system we point out a route to realize a Quantum Spin Liquid. This work was supported by Deutsche Forschungsgemeinschaft under Grant No. SFB/TR 49 and the National Science Foundation under Grant No. PHY11-25915.

  4. Exploring Redox States, Doping and Ordering of Electroactive Star-Shaped Oligo(aniline)s.

    Science.gov (United States)

    Mills, Benjamin M; Fey, Natalie; Marszalek, Tomasz; Pisula, Wojciech; Rannou, Patrice; Faul, Charl F J

    2016-11-14

    We have prepared a simple star-shaped oligo(aniline) (TDPB) and characterised it in detail by MALDI-TOF MS, UV/Vis/NIR spectroscopy, time-dependent DFT, cyclic voltammetry and EPR spectroscopy. TDPB is part of an underdeveloped class of π-conjugated molecules with great potential for organic electronics, display and sensor applications. It is redox active and reacts with acids to form radical cations. Acid-doped TDPB shows behaviour similar to discotic liquid crystals, with X-ray scattering investigations revealing columnar self-assembled arrays. The combination of unpaired electrons and supramolecular stacking suggests that star-shaped oligo(aniline)s like TDPB have the potential to form conducting nanowires and organic magnetic materials. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  5. Solid-state reaction kinetics and optical studies of cadmium doped magnesium hydrogen phosphate crystals

    Science.gov (United States)

    Verma, Madhu; Gupta, Rashmi; Singh, Harjinder; Bamzai, K. K.

    2018-04-01

    The growth of cadmium doped magnesium hydrogen phosphate was successfully carried out by using room temperature solution technique i.e., gel encapsulation technique. Grown crystals were confirmed by single crystal X-ray diffraction (XRD). The structure of the grown crystal belongs to orthorhombic crystal system and crystallizes in centrosymmetric space group. Kinetics of the decomposition of the grown crystals were studied by non-isothermal analysis. Thermo gravimetric / differential thermo analytical (TG/DTA) studies revealed that the grown crystal is stable upto 119 °C. The various steps involved in the thermal decomposition of the material have been analysed using Horowitz-Metzger, Coats-Redfern and Piloyan-Novikova equations for evaluating various kinetic parameters. The optical studies shows that the grown crystals possess wide transmittance in the visible region and significant optical band gap of 5.5ev with cut off wavelength of 260 nm.

  6. Solid-state reaction kinetics of neodymium doped magnesium hydrogen phosphate system

    Science.gov (United States)

    Gupta, Rashmi; Slathia, Goldy; Bamzai, K. K.

    2018-05-01

    Neodymium doped magnesium hydrogen phosphate (NdMHP) crystals were grown by using gel encapsulation technique. Structural characterization of the grown crystals has been carried out by single crystal X-ray diffraction (XRD) and it revealed that NdMHP crystals crystallize in orthorhombic crystal system with space group Pbca. Kinetics of the decomposition of the grown crystals has been studied by non-isothermal analysis. The estimation of decomposition temperatures and weight loss has been made from the thermogravimetric/differential thermo analytical (TG/DTA) in conjuncture with DSC studies. The various steps involved in the thermal decomposition of the material have been analysed using Horowitz-Metzger, Coats-Redfern and Piloyan-Novikova equations for evaluating various kinetic parameters.

  7. Single mode solid state distributed feedback dye laser fabricated by grey scale electron beam lithography on dye doped SU-8 resist

    DEFF Research Database (Denmark)

    Balslev, Søren; Rasmussen, Torben; Shi, Peixiong

    2005-01-01

    We demonstrate grey scale electron beam lithography on functionalized SU-8 resist for fabrication of single mode solid state dye laser devices. The resist is doped with Rhodamine 6G perchlorate and the lasers are based on a first order Bragg grating distributed feedback resonator. The lasers...

  8. Internal state distributions of molecules scattering and desorbing from surfaces

    International Nuclear Information System (INIS)

    Auerbach, D.J.

    1983-01-01

    Attempts are made to interpret scattering experiments of NO molecules on Ag(111) where a (rotational) state-specific detector has been used. A model using an anisotropic potential is proposed to explain the observed incoming energy- and angle dependence. The so-called rotational rainbows are explained. It is concluded, that in this way information on intermolecular potentials and the transfer of translational to rotational energy in the dynamics of trapping and sticking of molecules on surfaces can be extracted. (G.Q.)

  9. Surface acoustic wave solid-state rotational micromotor

    Science.gov (United States)

    Shilton, Richie J.; Langelier, Sean M.; Friend, James R.; Yeo, Leslie Y.

    2012-01-01

    Surface acoustic waves (SAWs) are used to drive a 1 mm diameter rotor at speeds exceeding 9000 rpm and torque of nearly 5 nNm. Unlike recent high-speed SAW rotary motors, however, the present design does not require a fluid coupling layer but interestingly exploits adhesive stiction as an internal preload, a force usually undesirable at these scales; with additional preloads, smaller rotors can be propelled to 15 000 rpm. This solid-state motor has no moving parts except for the rotor and is sufficiently simple to allow integration into miniaturized drive systems for potential use in microfluidic diagnostics, optical switching and microrobotics.

  10. Terrestrial Ecosystems - Land Surface Forms of the Conterminous United States

    Science.gov (United States)

    Cress, Jill J.; Sayre, Roger G.; Comer, Patrick; Warner, Harumi

    2009-01-01

    As part of an effort to map terrestrial ecosystems, the U.S. Geological Survey has generated land surface form classes to be used in creating maps depicting standardized, terrestrial ecosystem models for the conterminous United States, using an ecosystems classification developed by NatureServe . A biophysical stratification approach, developed for South America and now being implemented globally, was used to model the ecosystem distributions. Since land surface forms strongly influence the differentiation and distribution of terrestrial ecosystems, they are one of the key input layers in this biophysical stratification. After extensive investigation into various land surface form mapping methodologies, the decision was made to use the methodology developed by the Missouri Resource Assessment Partnership (MoRAP). MoRAP made modifications to Hammond's land surface form classification, which allowed the use of 30-meter source data and a 1-km2 window for analyzing the data cell and its surrounding cells (neighborhood analysis). While Hammond's methodology was based on three topographic variables, slope, local relief, and profile type, MoRAP's methodology uses only slope and local relief. Using the MoRAP method, slope is classified as gently sloping when more than 50 percent of the area in a 1-km2 neighborhood has slope less than 8 percent, otherwise the area is considered moderately sloping. Local relief, which is the difference between the maximum and minimum elevation in a neighborhood, is classified into five groups: 0-15 m, 16-30 m, 31-90 m, 91-150 m, and >150 m. The land surface form classes are derived by combining slope and local relief to create eight landform classes: flat plains (gently sloping and local relief = 90 m), low hills (not gently sloping and local relief = 150 m). However, in the USGS application of the MoRAP methodology, an additional local relief group was used (> 400 m) to capture additional local topographic variation. As a result, low

  11. Rietveld quantitative phase analysis of high surface area commercial alumina doped with niobia

    International Nuclear Information System (INIS)

    Gomes, L.B.; Pereira, A.S.; Pokorny, A.; Bergmann, C.P.

    2014-01-01

    The quantification of crystalline phases present in a given material can provide important information about the phenomena related to the diffusion of new elements in a ceramic matrix, as well as the formation and precipitation of minority phases and their microstructural evaluation. In this work, a high content of niobia (16 and 32 %w.t)was added to a high specific surface commercial alumina powder. The specimens were uniaxially pressed (200 MPa) and sintered in two stages: a first step at 1100°C for 3, 6 or 9 hours followed by a second step at 1350°C for 3 hours. The crystalline phases were analyzed by X-ray Diffraction (XRD) and quantified by the Rietveld method. The morphology of the samples was evaluated by Scanning Electron Microscopy (SEM). From the results obtained, some aluminum niobates phases expected for the Al_2O_3-Nb_2O_5 system could be identified as an intergranular phase and their relative fraction was quantified. (author)

  12. New Surface Aspects towards Photocatalytic Activity of Doped Supported Titanium Dioxide

    Directory of Open Access Journals (Sweden)

    Samia A. Kosa

    2016-01-01

    Full Text Available The present work aims to synthesize nanoscale well dispersed TiO2/SiO2 and TiO2/Al2O3 nanoparticle photocatalysts via an impregnation method for the removal of methyl orange, which was used as a model compound of organic pollutant in wastewater, from an aqueous medium. Also within this frame work, La and Ce metals were loaded onto the surfaces of TiO2/SiO2 and TiO2/Al2O3 by an impregnation method to enhance the photocatalytic activity of the nanoparticles; the activities and physicochemical properties of the photocatalysts were compared before and after loading of metallic La and Ce. The oxide system was characterized by different techniques, including XRD, UV-Vis spectroscopy, FT-IR spectroscopy, SEM, and EDX spectroscopy. Finally, the optimal conditions to complete the photocatalytic oxidation of methyl orange dye were studied. This work holds promise for the efficient photodegradation of pollutants by nanoparticle photocatalysts.

  13. The steady-state and transient electron transport within bulk zinc-blende indium nitride: The impact of crystal temperature and doping concentration variations

    International Nuclear Information System (INIS)

    Siddiqua, Poppy; O'Leary, Stephen K.

    2016-01-01

    Within the framework of a semi-classical three-valley Monte Carlo electron transport simulation approach, we analyze the steady-state and transient aspects of the electron transport within bulk zinc-blende indium nitride, with a focus on the response to variations in the crystal temperature and the doping concentration. We find that while the electron transport associated with zinc-blende InN is highly sensitive to the crystal temperature, it is not very sensitive to the doping concentration selection. The device consequences of these results are then explored.

  14. Computational study of TiO2 Brookite (100), (010) and (210) surface doped with Ruthenium for application in Dye Sensitised Solar Cells

    Science.gov (United States)

    Dima, R. S.; Maluta, N. E.; Maphanga, R. R.; Sankaran, V.

    2017-10-01

    Titanium dioxide (TiO2) polymorphs are widely used in many energy-related applications due to their peculiar electronic and physicochemical properties. The electronic structures of brookite TiO2 surfaces doped with transition metal ruthenium have been investigated by ab initio band calculations based on the density functional theory with the planewave ultrasoft pseudopotential method. The generalized gradient approximation (GGA) was used in the scheme of Perdew-Burke-Ernzerhof (PBE) to describe the exchange-correlation functional. All calculations were carried out with CASTEP (Cambridge Sequential Total EnergyPackage) code in Materials Studio of Accelrys Inc. The surface structures of Ru doped TiO2 were constructed by cleaving the 1 × 1 × 1 optimized bulk structure of brookite TiO2. The results indicate that Ru doping can narrow the band gap of TiO2, leading to the improvement in the photoreactivity of TiO2, and simultaneously maintain strong redox potential. The theoretical calculations could provide meaningful guide to develop more active photocatalysts with visible light response.

  15. Ag doped TiO2 nanoparticles prepared by hydrothermal method and coating of the nanoparticles on the ceramic pellets for photocatalytic study: Surface properties and photoactivity

    Directory of Open Access Journals (Sweden)

    Oguzhan Avciata

    2018-02-01

    Full Text Available In this work, Ag doped nano TiO2 photocatalysts were synthesized in powder form by hydrothermal method at 180 ºC in 120 min using different reduction agents. The synthesized powders were characterized by powder X-ray diffraction (XRD, Energydispersive X-ray spectroscopy (EDS, Surface area measurements (BET, Transmission electron microscopy (TEM and scanning electron microscopy (SEM analyses. The effect of reduction agents on the morphological properties of Ag doped nano TiO2 has been studied. We have been observed that the use of different reduction agents affects the particle size and surface area. Ag doped nano TiO2 photocatalysts were coated to the ceramic pellets by dip coating technique for photocatalytic study. Photocatalytic properties of the synthesized powder were examined in a circulating aquarium filled with indigo blue (IB solution under UV irradiation. Periodical UV spectrophotometric analysis showed that indigo blue (IB has been degraded and its concentration has decreased under UV irradiation by time.

  16. 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.

  17. Facile synthesis of surface N-doped Bi{sub 2}O{sub 2}CO{sub 3}: Origin of visible light photocatalytic activity and in situ DRIFTS studies

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Ying, E-mail: yzhou@swpu.edu.cn [State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Xindu Rd. 8, Chengdu 610500 (China); The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, Xindu Rd. 8, Chengdu 610500 (China); Insititute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe (Germany); Zhao, Ziyan [State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Xindu Rd. 8, Chengdu 610500 (China); The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, Xindu Rd. 8, Chengdu 610500 (China); Wang, Fang; Cao, Kun [The Center of New Energy Materials and Technology, School of Materials Science and Engineering, Southwest Petroleum University, Xindu Rd. 8, Chengdu 610500 (China); Doronkin, Dmitry E. [Insititute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe (Germany); Dong, Fan [College of Environmental and Biological Engineering, Chonqing Technology and Business University, Chongqing 400067 (China); Grunwaldt, Jan-Dierk, E-mail: grunwaldt@kit.edu [Insititute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe (Germany)

    2016-04-15

    Graphical abstract: Surfactant (CTAB) can induce nitrogen interstitially doping in the Bi{sub 2}O{sub 2}CO{sub 3} surface, leading to the formation of localized states from N−O bond, which probably account for the origin of the visible light activity. Moreover, the photocatalytic NO oxidation processes over Bi{sub 2}O{sub 2}CO{sub 3} were successfully monitored for the first time by in situ DRIFTS. - Highlights: • Interstitially doping N in the Bi{sub 2}O{sub 2}CO{sub 3} surface was achieved at room temperature. • N-doped Bi{sub 2}O{sub 2}CO{sub 3} exhibited significantly enhanced visible light photocatalytic activity compared to the pristine Bi{sub 2}O{sub 2}CO{sub 3}. • The formation of localized states from N−O bond could account for the visible light activity of Bi{sub 2}O{sub 2}CO{sub 3}. • The photocatalytic NO oxidation process was monitored by in situ DRIFTS. - Abstract: Bi{sub 2}O{sub 2}CO{sub 3} nanosheets with exposed {001} facets were prepared by a facile room temperature chemical method. Due to the high oxygen atom density in {001} facets of Bi{sub 2}O{sub 2}CO{sub 3}, the addition of cetyltrimethylammonium bromide (CTAB) does not only influence the growth of crystalline Bi{sub 2}O{sub 2}CO{sub 3}, but also modifies the surface properties of Bi{sub 2}O{sub 2}CO{sub 3} through the interaction between CTAB and Bi{sub 2}O{sub 2}CO{sub 3}. Nitrogen from CTAB as dopant interstitially incorporates in the Bi{sub 2}O{sub 2}CO{sub 3} surface evidenced by both experimental and theoretical investigations. Hence, the formation of localized states from N−O bond improves the visible light absorption and charge separation efficiency, which leads to an enhancement of visible light photocatalytic activity toward to the degradation of Rhodamine B (RhB) and oxidation of NO. In addition, the photocatalytic NO oxidation over Bi{sub 2}O{sub 2}CO{sub 3} nanosheets was successfully monitored for the first time using in situ diffuse reflectance infrared Fourier

  18. The normal state resistivity of CaTh- and La-doped Y(Nd-123 superconductors in the bipolaron model

    Directory of Open Access Journals (Sweden)

    S. Ghorbani

    2007-12-01

    Full Text Available Polycrystalline samples of Y1-2xCaxThxBa2Cu3O7-δ (with 0.00 ≤x ≤ 0.075 and NdBa2-xLaxCu3O7-δ (with 0.0≤x≤ 0.30 were prepared by the standard solid state method. The transport and superconducting properties have been studied by the resistivity measurements as a function of temperature and doping concentration. Data of resistivity as a function of temperature was analyzed in terms of the bipolaran model. The model well described resistivity data up to near the critical temperature. Obtained results suggested that the hole localization is the main reason for superconducting suppression in the charge neutral doped cuprates and the La doped Nd-123 in addition charge filling.

  19. Hydrothermally formed three-dimensional hexagon-like P doped Ni(OH)2 rod arrays for high performance all-solid-state asymmetric supercapacitors

    Science.gov (United States)

    Li, Kunzhen; Li, Shikuo; Huang, Fangzhi; Lu, Yan; Wang, Lei; Chen, Hong; Zhang, Hui

    2018-01-01

    Three dimensional hexagon-like phosphrous (P) doped Ni(OH)2 rod arrays grown on Ni foam (NF) are fabricated by a facile and green one-step hydrothermal process. Ni foam is only reacted in a certain concentration of P containing H2O2 aqueous solution. The possible growth mechanism of the P doped Ni(OH)2 rod arrays is discussed. As a battery-type electrode material in situ formed on Ni foam, the binder-free P doped Ni(OH)2 rod arrays electrode displays a ultrahigh specific areal capacitance of 2.11C cm-2 (3.51 F cm-2) at 2 mA cm-2, and excellent cycling stability (95.5% capacitance retention after 7500 cycles). The assembled all-solid-state asymmetric supercapacitor (AAS) based on such P doped Ni(OH)2 rod arrays as the positive electrode and activated carbon as the negative electrode achieves an energy density of 81.3 Wh kg-1 at the power density of 635 W kg-1. The AAS device also exhibits excellent practical performance, which can easily drive an electric fan (3 W rated power) when two AAS devices are assembled in series. Thus, our synthesized P doped Ni(OH)2 rod arrays has a lot of potential applications in future energy storage prospects.

  20. A simple model for normal state in- and out-of-plane resistivities of hole doped cuprates

    Energy Technology Data Exchange (ETDEWEB)

    Naqib, S.H., E-mail: shnaqib.physicsru@gmail.com [Department of Physics, University of Rajshahi, Rajshahi 6205 (Bangladesh); Azam, M. Afsana [Department of Physics, University of Rajshahi, Rajshahi 6205 (Bangladesh); Department of Physics, DUET, Gazipur, Dhaka (Bangladesh); Uddin, M. Borhan [Department of Physics, University of Rajshahi, Rajshahi 6205 (Bangladesh); Department of CSE, International Islamic University Chittagong, Sitakunda, IIUC Rd, Kumira 4314 Bangladesh (Bangladesh); Cole, J.R. [Cambridge Flow Solutions Ltd., Histon, Cambridge CB24 9AD (United Kingdom)

    2016-05-15

    Highlights: • In- and out-of-plane charge transport have been investigated for hole doped cuprates. • Effect of quantum critical point (QCP) on non-Fermi liquid behavior has been explored. • The impact of pseudogap (PG) on carrier scattering rate has been studied. • In- and out-of plane resistivities have been modeled by considering the QCP and the PG. • The model explains the non-Fermi liquid charge transport in hole doped cuprates. - Abstract: The highly anisotropic and qualitatively different nature of the normal state in- and out-of-plane charge dynamics in high-T{sub c} cuprates cannot be accommodated within the conventional Boltzmann transport theory. The variation of in-plane and out-of-plane resistivities with temperature and hole content are anomalous and cannot be explained by Fermi-liquid theory. In this study, we have proposed a simple phenomenological model for the dc resistivity of cuprates by incorporating two firmly established generic features of all hole doped cuprate superconductors—(i) the pseudogap in the quasiparticle energy spectrum and (ii) the T-linear resistivity at high temperatures. This T-linear behavior over an extended temperature range can be attributed to a quantum criticality, affecting the electronic phase diagram of cuprates. Experimental in-plane and out-of-plane resistivities (ρ{sub p}(T) and ρ{sub c}(T), respectively) of double-layer Y(Ca)123 have been analyzed using the proposed model. This phenomenological model describes the temperature and the hole content dependent resistivity over a wide range of temperature and hole content, p. The characteristic PG energy scale, ε{sub g}(p), extracted from the analysis of the resistivity data, agrees quite well with those found in variety of other experiments. Various other extracted parameters from the analysis of ρ{sub p}(T) and ρ{sub c}(T) data showed systematic trends with changing hole concentration. We have discussed important features found from the analysis in

  1. The charge-transfer property and the performance of dye-sensitized solar cells of nitrogen doped zinc oxide

    International Nuclear Information System (INIS)

    Zhang Lingyun; Yang Yulin; Fan Ruiqing; Chen Haiyan; Jia Ruokun; Wang Yonghui; Ma Liqun; Wang Yazhen

    2012-01-01

    Highlights: ► Two methods (the solution and annealing methods) are used to prepare nitrogen-doped ZnO. ► The charge-transfer properties of N-doping ZnO are investigated. ► The overall conversion efficiency of N-doped ZnO-based dye-sensitized solar cells is successfully improved by N doping. - Abstract: In this study two methods, namely the solution and annealing methods, were used to prepare nitrogen-doped ZnO. The X-ray photoelectron spectroscopy (XPS) was performed to identify the composition and chemical states of N-doped ZnO. The N doping by the solution method was found to effectively decrease the acceptor effects. Surface photovoltage measurements (SPS) revealed a redshift of the threshold wavelength for the N-doped ZnO. And the recombination of photoinduced electron–hole pairs in this semiconductor material was obviously suppressed. The N-doped ZnO (solution method) exhibits the best performances among all the materials, even superior to N-doped ZnO (annealing method). Its J sc and η values (9.35 mA/cm 2 and 2.64%) have enhanced by several times compared with un-doped ZnO (J sc , 2.85 mA/cm 2 ; η, 0.67%). The overall conversion efficiency of ZnO-based dye-sensitized solar cells was successfully improved by the N doping.

  2. Nonlinear Polarization Rotation-Based Mode-Locked Erbium-Doped Fiber Laser with Three Switchable Operation States

    International Nuclear Information System (INIS)

    Tiu Zian Cheak; Tan Sin Jin; Zarei Arman; Ahmad Harith; Harun Sulaiman Wadi

    2014-01-01

    A simple mode-locked erbium-doped fiber laser (EDFL) with three switchable operation states is proposed and demonstrated based on nonlinear polarization rotation. The EDFL generates a stable square pulse at a third harmonic pulse repetition rate of 87 kHz as the 1480 nm pump power increases from the threshold of 17.5 mW to 34.3 mW. The square pulse duration increases from 105 ns to 245 ns as the pump power increases within this region. The pulse operation switches to the second operation state as the pump power is varied from 48.2 mW to 116.7 mW. The laser operates at a fundamental repetition rate of 29 kHz with a fixed pulse width of 8.5 μs within the pump power region. At a pump power of 116.7 mW, the average output power is 3.84 mW, which corresponds to the pulse energy of 131.5 nJ. When the pump power continues to increase, the pulse train experiences unstable oscillation before it reaches the third stable operation state within a pump power region of 138.9 mW to 145.0 mW. Within this region, the EDFL produces a fixed pulse width of 2.8 μs and a harmonic pulse repetition rate of 58 kHz. (fundamental areas of phenomenology(including applications))

  3. Photoluminescence and excited state structure in Bi3+-doped Y2SiO5 single crystalline films

    International Nuclear Information System (INIS)

    Babin, V.; Gorbenko, V.; Krasnikov, A.; Mihokova, E.; Nikl, M.; Zazubovich, S.; Zorenko, Yu.

    2013-01-01

    Single crystalline films of Bi-doped Y 2 SiO 5 are studied at 4.2–350 K by the time-resolved luminescence methods under excitation in the 3.8–6.2 eV energy range. Ultraviolet luminescence of Y 2 SiO 5 :Bi (≈3.6 eV) is shown to arise from the radiative decay of the metastable and radiative minima of the triplet relaxed excited state (RES) of Bi 3+ centers which are related to the 3 P 0 and 3 P 1 levels of a free Bi 3+ ion, respectively. The lowest-energy excitation band of this emission, located at ≈4.5 eV, is assigned to the 1 S 0 → 3 P 1 transitions of a free Bi 3+ ion. The phenomenological model is proposed to describe the excited-state dynamics of Bi 3+ centers in Y 2 SiO 5 :Bi, and parameters of the triplet RES are determined. -- Highlights: •Luminescence of Y 2 SiO 5 :Bi is investigated for the first time. •Ultraviolet emission arises from Bi 3+ ions located in Y lattice sites. •The triplet relaxed excited states parameters of Bi 3+ centers are determined

  4. A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

    International Nuclear Information System (INIS)

    Ma, Ling-Ling; Lv, Cun-Qin; Wang, Gui-Chang

    2017-01-01

    Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H_2 molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H_2. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of C−H/C−C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H_2 dissociation and

  5. A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

    Science.gov (United States)

    Ma, Ling-Ling; Lv, Cun-Qin; Wang, Gui-Chang

    2017-07-01

    Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H2 molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H2. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of Csbnd H/Csbnd C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H2 dissociation and

  6. A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Ling-Ling [Department of Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Nankai University, Tianjin 300071 (China); Lv, Cun-Qin, E-mail: lcq173@126.com [College of Chemistry and Environmental Engineering, Shanxi Datong University, Datong 037009, Shanxi Province (China); Wang, Gui-Chang, E-mail: wangguichang@nankai.edu.cn [Department of Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Nankai University, Tianjin 300071 (China)

    2017-07-15

    Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H{sub 2} molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H{sub 2}. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of C−H/C−C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H{sub 2

  7. Chemical state analysis of heavily phosphorus-doped epitaxial silicon films grown on Si (1 0 0) by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Lee, Minhyeong; Kim, Sungtae; Ko, Dae-Hong

    2018-06-01

    In this work, we investigated the chemical bonding states in highly P-doped Si thin films epitaxially grown on Si (0 0 1) substrates using high-resolution X-ray photoelectron spectroscopy (HR-XPS). HR-XPS P 2p core-level spectra clearly show spin-orbital splitting between P 2p1/2 and P 2p3/2 peaks in Si films doped with a high concentration of P. Moreover, the intensities of P 2p1/2 and P 2p3/2 peaks for P-doped Si films increase with P concentrations, while their binding energies remained almost identical. These results indicate that more P atoms are incorporated into the substitutional sites of the Si lattice with the increase of P concentrations. In order to identify the chemical states of P-doped Si films shown in XPS Si 2p spectra, the spectra of bulk Si were subtracted from those of Si:P samples, which enables us to clearly identify the new chemical state related to Sisbnd P bonds. We observed that the presence of the two well-resolved new peaks only for the Si:P samples at the binding energy higher than those of a Sisbnd Si bond, which is due to the strong electronegativity of P than that of Si. Experimental findings in this study using XPS open up new doors for evaluating the chemical states of P-doped Si materials in fundamental researches as well as in industrial applications.

  8. Spectroscopic studies of Dy3 + ion doped tellurite glasses for solid state lasers and white LEDs

    Science.gov (United States)

    Himamaheswara Rao, V.; Syam Prasad, P.; Mohan Babu, M.; Venkateswara Rao, P.; Satyanarayana, T.; Luís F., Santos; Veeraiah, N.

    2018-01-01

    Rare earth ion Dy3 +-doped tellurite glasses were synthesised in the system of (75-x)TeO2-15Sb2O3-10WO3-xDy2O3 (TSWD glasses). XRD and FTIR characterizations were used to find the crystalline and structural properties. The intensities of the electronic transitions and the ligand environment around the Dy3 + ion were determined using the Judd-Ofelt (J-O) theory on the absorption spectra of the glasses. The measured luminescence spectra exhibit intense emissions at 574 and 484 nm along with less intense emissions around 662 and 751 nm. Various radiative properties of the 4F9/2 excited level of Dy3 + ion were calculated for the glasses. Decay profiles were measured to find the life times and quantum efficiencies. Yellow to blue intensity ratio (Y/B), CIE chromaticity coordinates and correlated color temperature (CCT) values are calculated using the emission spectra to evaluate the emitted light. The obtained results suggest the utility of the glasses for potential yellow laser and white LED's applications.

  9. Delocalized and localized states of eg electrons in half-doped manganites.

    Science.gov (United States)

    Winkler, E L; Tovar, M; Causa, M T

    2013-07-24

    We have studied the magnetic behaviour of half-doped manganite Y0.5Ca0.5MnO3 in an extended range of temperatures by means of magnetic susceptibility, χ(T), and electron spin resonance (ESR) experiments. At high temperature the system crystallizes in an orthorhombic structure. The resistivity value, ρ ≃ 0.05 Ω cm at 500 K, indicates a metallic behaviour, while the Curie-Weiss dependence of χ(T) and the thermal evolution of the ESR parameters are very well described by a model that considers a system conformed by localized Mn(4+) cores, [Formula: see text], and itinerant, eg, electrons. The strong coupling between t2g and eg electrons results in an enhanced Curie constant and an FM Curie-Weiss temperature that overcomes the AFM interactions between the [Formula: see text] cores. A transition to a more distorted phase is observed at T ≈ 500 K and signatures of localization of the eg electrons appear in the χ(T) behaviour below 300 K. A new Curie-Weiss regime is observed, where the Curie-constant value is consistent with dimer formation. Based on mean-field calculations, the dimer formation is predicted as a function of the interaction strength between the t2g and eg electrons.

  10. Quantum efficiency and excited-state relaxation dynamics in neodymium-doped phosphate laser glasses

    International Nuclear Information System (INIS)

    Caird, J.A.; Ramponi, A.J.; Staver, P.R.

    1991-01-01

    Radiometrically calibrated spectroscopic techniques employing an integrating-sphere detection system have been used to determine the fluorescence quantum efficiencies for two commercially available Nd 3+ -doped phosphate laser glasses, LG-750 and LG-760. Quantum efficiencies and fluorescence lifetimes were measured for samples with various neodymium concentrations. It is shown that the effects of concentration quenching are accurately described when both resonant nonradiative excitation hopping (the Burshtein model) and annihilation by cross relaxation are accounted for by Foerster--Dexter dipole--dipole energy-transfer theory. The Foerster--Dexter critical range for nonradiative excitation hopping was found to be R DD =11 A, while the critical range for cross relaxation was close to R DA =4 A in these glasses. The quantum efficiency at low Nd 3+ concentrations was (92±5)%, implying a nonradiative relaxation rate of 210±150 s -1 for isolated ions. Improved values for the radiative lifetimes and the stimulated emission cross sections for these glasses were also deduced from the measurements

  11. The analytical approach to the multi-state lasing phenomenon in undoped and p-doped InAs/InGaAs semiconductor quantum dot lasers

    Science.gov (United States)

    Korenev, Vladimir V.; Savelyev, Artem V.; Zhukov, Alexey E.; Omelchenko, Alexander V.; Maximov, Mikhail V.

    2014-05-01

    We introduce an analytical approach to the multi-state lasing phenomenon in p-doped and undoped InAs/InGaAs quantum dot lasers which were studied both theoretically and experimentally. It is shown that the asymmetry in charge carrier distribution in quantum dots as well as hole-to-electron capture rate ratio jointly determine laser's behavior in such a regime. If the ratio is lower than a certain critical value, the complete quenching of ground-state lasing takes place at sufficiently high injection currents; at higher values of the ratio, our model predicts saturation of the ground-state power. It was experimentally shown that the modulation p-doping of laser's active region results in increase of output power emitted via the ground-state optical transitions of quantum dots and in enhancement of the injection currents range in which multi-state lasing takes place. The maximum temperature at which multi-state lasing exists was increased by about 50°C in the p-doped samples. These effects are qualitatively explained in the terms of the proposed model.

  12. Influence of texture coefficient on surface morphology and sensing properties of W-doped nanocrystalline tin oxide thin films.

    Science.gov (United States)

    Kumar, Manjeet; Kumar, Akshay; Abhyankar, A C

    2015-02-18

    For the first time, a new facile approach based on simple and inexpensive chemical spray pyrolysis (CSP) technique is used to deposit Tungsten (W) doped nanocrystalline SnO2 thin films. The textural, optical, structural and sensing properties are investigated by GAXRD, UV spectroscopy, FESEM, AFM, and home-built sensing setup. The gas sensing results indicate that, as compared to pure SnO2, 1 wt % W-doping improves sensitivity along with better response (roughness values of 3.82 eV and 3.01 nm, respectively. Reduction in texture coefficient along highly dense (110) planes with concomitant increase along loosely packed (200) planes is found to have prominent effect on gas sensing properties of W-doped films.

  13. Chrystal structure properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} synthesized by solid state reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Sandi, Dianisa Khoirum, E-mail: dianisa875@gmail.com; Suryana, Risa, E-mail: rsuryana@staff.uns.ac.id [Department of Physics, Faculty of Mathematics and Natural Sciences, Sebelas Maret University (Indonesia); Priyono, Slamet, E-mail: slam013@lipi.go.id [Physics Research Center (P2F)-LIPI, Puspiptek Area, Serpong, Tangerang (Indonesia)

    2016-02-08

    This research aim is to analyze the effect of Aluminum (Al) doping in the structural properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} as anode in lithium ion battery. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. LiOH.H{sub 2}O, TiO{sub 2}, and Al{sub 2}O{sub 3} were raw materials. These materials were milled for 15 h, calcined at temperature of 750{sup o}C and sintered at temperature of 800{sup o}C. Mole percentage of doping Al (x) was varied at x=0; x=0.025; and x =0.05. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. X-ray diffraction was employed to determine the structure of Li{sub 4}Ti{sub 5}O{sub 12}. The PDXL software was performed on the x-ray diffraction data to estimate the phase percentage, the lattice parameter, the unit cell volume, and the crystal density. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} has cubic crystal structure. Al-doping at x=0 and x=0.025 does not change the phase as Li{sub 4}Ti{sub 5}O{sub 12} while at x=0.050 the phase changes to the LiTiAlO{sub 4}. The diffraction patterns show that the angle shifted to the right as the increase of x which indicated that Al substitute Ti site. Percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase at x=0 and x=0.025 was 97.8% and 96.8%, respectively. However, the lattice parameters, the unit cell volume, and the crystal density does not change significantly at x=0; x=0.025; and x=0.050. Based on the percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase, the Al-doped Li at x=0 and x=0.025 is promising as a lithium battery anode.

  14. Fullerenes as alternative acceptors by transfer doping of diamond surfaces; Fullerene als alternative Akzeptoren bei der Transferdotierung von Diamantoberflaechen

    Energy Technology Data Exchange (ETDEWEB)

    Strobel, Paul

    2008-06-06

    The topic of this thesis is the fullerene induced surface conductivity on hydrogen terminated diamond. A systematic investigation of C{sub 60}, C{sub 60}F{sub 18}, C{sub 60}F{sub 36} and C{sub 60}F{sub 48} as transfer dopants on hydrogenated diamond has been performed. For C{sub 60}, the doping mechanism is more accurately described as a charge exchange in an extreme type II heterojunction. On the other hand a molecular surface acceptor model that takes the degeneracy of holes and the electric field caused by charge separation into account has been performed for the case of C{sub 60}F{sub 48} in excellent agreement with experimental results. Using in situ Hall Effect measurements of air, C{sub 60}, and C{sub 60}F{sub 48} induced conductivity the sign of the charge carriers that dominate the transport properties was determined. At ambient temperature the hole mobility {mu} as a function of the induced charge carrier density p between p=5.10{sup 10} cm{sup -2} and p=3.10{sup 13} cm{sup -2} was measured. A maximum of the mobility of 130-150 cm{sup 2}V{sup -1}s{sup -1} occurs for p=2.10{sup 1} cm{sup -2}. Temperature dependent Hall measurements between 77 and 350 K show a non-activated, constant charge carrier density on all examinated samples, independently of the kind of adsorbates. On the other hand, both the conductivity and the mobility exhibit temperature dependence, varying with the charge carrier concentration. An essential part of this thesis addressed the investigation and the improvement of the thermal stability of the fullerene layers. In order to achieve the covalent attachment of C{sub 60}F{sub 48} to a hydrogen terminated diamond surface a process for controlled partially hydrolisation was developed. Functionalization with hydroxyl groups could be achieved by using a remote water vapour plasma at room temperature for a few seconds as demonstrated by photoelectron spectroscopy. Prolonged water plasma exposure, however, as well as annealing at temperatures

  15. The oxidation states of elements in pure and Ca-doped BiCuSeO thermoelectric oxides

    International Nuclear Information System (INIS)

    Hsiao, Chun-Lung; Qi, Xiaoding

    2016-01-01

    Bi 1−x Ca x CuSeO (x = 0–0.3) was synthesized at 650 °C in an air-tight system flowing with pure argon. The Ca doping resulted in an increase in the thermoelectric figure of merit (ZT) as the consequence of increased carrier concentration. X-ray photoelectron spectroscopy (XPS) was carried out to check the oxidation states in Bi 1−x Ca x CuSeO. The results indicated that in addition to the expected Bi 3+ and Cu 1+ , there existed Bi 2+ and Cu 2+ in the undoped BiCuSeO, whereas in the Ca-doped BiCuSeO, Bi 4+ , Cu 3+ and Cu 2+ were observed. The Ca dopant was confirmed to be in the 2+ oxidation state. Two broad peaks centered at 54.22 and 58.59 eV were recorded in the vicinity around the binding energy of Se 3d. The former is often observed in the Se-containing intermetallics while the latter is often found in the Se-containing oxides, indicating that along with the expected Se–Cu bonding, a bonding between Se and O may also exist. Based on the XPS results, the charge compensation mechanisms were proposed for Bi 1−x Ca x CuSeO, which may shed some light on the origins of charge carriers. BiCuSeO based oxides have recently be discovered to have a large ZT comparable to the best alloys currently in use, because of the large Seebeck coefficient and small thermal conductivity. However, their electrical conductivity is lower compared to the best thermoelectrics. This work may provide some hints for the further improvement of ZT in BiCuSeO based oxides. - Graphical abstract: The oxidation states, charge compensation mechanisms, and origins of charge carriers in Bi 1−x Ca x CuSeO thermoelectrics. Display Omitted

  16. Visible light absorbance enhanced by nitrogen embedded in the surface layer of Mn-doped sodium niobate crystals, detected by ultra violet - visible spectroscopy, x-ray photoelectron spectroscopy, and electric conductivity tests

    Energy Technology Data Exchange (ETDEWEB)

    Molak, A., E-mail: andrzej.molak@us.edu.pl; Pilch, M. [Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland)

    2016-05-28

    Sodium niobate crystals doped with manganese ions, Na(NbMn)O{sub 3}, were annealed in a nitrogen N{sub 2} flow at 600, 670, and 930 K. It was verified that simultaneous doping with Mn ions and annealing in nitrogen enhanced the photocatalytic features of sodium niobate. The transmission in the ultraviolet-visible range was measured at room temperature. The absorbance edge is in the range from 3.4 to 2.3 eV. The optical band gap E{sub gap} = 1.2–1.3 eV was evaluated using the Tauc relation. Crystals annealed at 670 K and 930 K exhibited an additional shift of the absorption edge of ∼20–40 nm toward longer wavelengths. The optical energy gap narrowed as a result of the superimposed effect of Mn and N co-doping. The x-ray photoelectron spectroscopy test showed that N ions incorporated into the surface layer. The valence band consisted of O 2p states hybridized with Nb 4d, Mn 3d, and N 2s states. The disorder detected in the surroundings of Nb and O ions decreased due to annealing. The binding energy of oxygen ions situated within the surface layer was E{sub B} ≈ 531 eV. The other contributions were assigned to molecular contamination. The contribution centered at 535.5 eV vanished after annealing at 600 K and 670 K. The contribution centered at 534 eV vanished after annealing at 930 K. The N{sub 2} annealing partly removed carbonates from the surfaces of the samples. In the 480–950 K range, the electric conductivity activation energy, E{sub a} = 0.7–1.2 eV, was comparable with the optical E{sub gap}. The electric permittivity showed dispersion in the 0.1–800 kHz range that corresponds to the occurrence of defects.

  17. Magnetism tuned by the charge states of defects in bulk C-doped SnO2 materials.

    Science.gov (United States)

    Lu, Ying-Bo; Ling, Z C; Cong, Wei-Yan; Zhang, Peng

    2015-10-21

    To analyze the controversial conclusions on the magnetism of C-doped SnO2 (SnO2:C) bulk materials between theoretical calculations and experimental observations, we propose the critical role of the charge states of defects in the geometric structures and magnetism, and carry out a series of first principle calculations. By changing the charge states, we can influence Bader charge distributions and atomic orbital occupancies in bulk SnO2:C systems, which consequently conduct magnetism. In all charged SnO2:C supercells, C-2px/py/pz electron occupancies are significantly changed by the charge self-regulation, and thus they make the C-2p orbitals spin polarized, which contribute to the dominant magnetic moment of the system. When the concentration of C dopant in the SnO2 supercell increases, the charge redistribution assigns extra electrons averagely to each dopant, and thus effectively modulates the magnetism. These findings provide an experimentally viable way for controlling the magnetism in these systems.

  18. State-to-state inelastic and reactive molecular beam scattering from surfaces

    International Nuclear Information System (INIS)

    Lykke, K.R.; Kay, B.D.

    1990-01-01

    Resonantly enhanced multiphoton ionization (REMPI) laser spectroscopic and molecular beam-surface scattering techniques are coupled to study inelastic and reactive gas-surface scattering with state-to-state specificity. Rotational, vibrational, translational and angular distributions have been measured for the inelastic scattering of HCI and N 2 from Au(111). In both cases the scattering is direct-inelastic in nature and exhibits interesting dynamical features such as rotational rainbow scattering. In an effort to elucidate the dynamics of chemical reactions occurring on surfaces we have extended our quantum-resolved scattering studies to include the reactive scattering of a beam of gas phase H-atoms from a chlorinated metal surface M-CI. The nascent rotational and vibrational distributions of the HCI product are determined using REMPI. The thermochemistry for this reaction on Au indicates that the product formation proceeding through chemisorbed H-atoms is slightly endothermic while direct reaction of a has phase H-atom with M-CI is highly exothermic (ca. 50 kcal/mole). Details of the experimental techniques, results and implications regarding the scattering dynamics are discussed. 55 ref., 8 fig

  19. A computational study on tuning the field emission and electronic properties of BN nanocones by impurity atom doping

    Science.gov (United States)

    Ahmadi, S.; Delir Kheirollahi Nezhad, P.; Hosseinian, A.; Vessally, E.

    2018-06-01

    We have inspected the effect of substituting a boron or nitrogen atom of a BN nanocone (BNNC) by two impurity atoms with lower and higher atomic numbers based on the density functional theory calculations. Our results explain the experimental observations in a molecular level. Orbital and partial density of states analyses show that the doping processes increase the electrical conductivity by creating new states within the gap of BNNC as follows: BeB > ON > CB > CN. The electron emission current from the surface of BNNC is improved after the CB and BeB dopings, and it is decreased by CN and ON dopings. The BeB and CN dopings make the BNNC a p-type semiconductor and the CB and ON dopings make it an n-type one in good agreement with the experimental results. The ON and BeB doping processes are suggested for the field emission current, and electrical conductivity enhancement, respectively.

  20. Correlation of tunneling spectra with surface nano-morphology and doping in thin YBa2Cu3O7-delta films

    OpenAIRE

    Sharoni, A.; Koren, G.; Millo, O.

    2001-01-01

    Tunneling spectra measured on thin epitaxial YBa2Cu3O7-delta films are found to exhibit strong spatial variations, showing U and V-shaped gaps as well as zero bias conductance peaks typical of a d-wave superconductor. A full correspondence is found between the tunneling spectra and the surface morphology down to a level of a unit-cell step. Splitting of the zero bias conductance peak is seen in optimally-doped and overdoped films, but not in the underdoped ones, suggesting that there is no tr...

  1. Enhancement of H2-sensing Properties of F-doped SnO2 Sensorby Surface Modification with SiO2

    Directory of Open Access Journals (Sweden)

    S. P. Khatkar

    2006-05-01

    Full Text Available Effects of surface chemical modification with sodium silicate on the gas-sensingproperties of F-doped SnO2 gas sensor designed and fabricated employing micro-electromechanical system (MEMS technology were investigated. Gas sensing properties of thesensor were checked against combustible gases like H2, CO, CH4 and C3H8 at a heatervoltage of 0.7 V. The H2 sensitivity of the surface modified F-doped SnO2 micro sensormarkedly increased and reached S = 175 which was found to be about 40 times more thanthat of unmodified sensor (S = ~ 4.2. The increase in the sensitivity is discussed in terms ofincreased resistivity and reduced permeation of gaseous oxygen into the underlying sensinglayer due to the surface modification of the sensor. The present micro-hydrogen sensor withenhanced sensitivity due to SiO2 incorporation is a low energy consuming portable sensormodule that can be mass-produced using MEMS technology at low cost.

  2. Preparation of nitrogen-doped cotton stalk microporous activated carbon fiber electrodes with different surface area from hexamethylenetetramine-modified cotton stalk for electrochemical degradation of methylene blue

    Directory of Open Access Journals (Sweden)

    Kunquan Li

    Full Text Available Cotton-stalk activated carbon fibers (CSCFs with controllable micropore area and nitrogen content were prepared as an efficient electrode from hexamethylenetetramine-modified cotton stalk by steam/ammonia activation. The influence of microporous area, nitrogen content, voltage and initial concentration on the electrical degradation efficiency of methylene blue (MB was evaluated by using CSCFs as anode. Results showed that the CSCF electrodes exhibited excellent MB electrochemical degradation ability including decolorization and COD removal. Increasing micropore surface area and nitrogen content of CSCF anode leaded to a corresponding increase in MB removal. The prepared CSCF-800-15-N, which has highest N content but lowest microporous area, attained the best degradation effect with 97% MB decolorization ratio for 5 mg/L MB at 12 V in 4 h, implying the doped nitrogen played a prominent role in improving the electrochemical degradation ability. The electrical degradation reaction was well described by first-order kinetics model. Overall, the aforesaid findings suggested that the nitrogen-doped CSCFs were potential electrode materials, and their electrical degradation abilities could be effectively enhanced by controlling the nitrogen content and micropore surface area. Keywords: Cotton stalk, Nitrogen content, Electrode, Surface area, Methylene blue

  3. Influence of doping fluorine on the structural, surface morphological and optical properties of CdO films

    Energy Technology Data Exchange (ETDEWEB)

    Aydogu, S.; Cabuk, G. [Dumlupinar University, Department of Physics, Faculty of Science and Art, Kutahya (Turkey); Coban, M.B. [Balikesir University, Department of Physics, Faculty of Science and Art, Balikesir (Turkey)

    2017-06-15

    CdO and CdO:F films were prepared by ultrasonic spray pyrolysis method on glass substrates at temperature of 250 ± 5 C. The structural and optical properties of pure and fluorine doped CdO films were characterized by XRD measurements and UV-VIS spectra, respectively. X-ray diffraction patterns show that the films have the polycrystalline structure with preferred orientation along (111) plane. Scherrer Method and Williamson Hall Method were used for calculating of the crystalline grains and strains of films. It is observed that the films at 8% F doped has better crystallinity level, and F doping decreases the defects in CdO films and improves crystallite quality. By UV-VIS spectra, it is revealed that the film with 8% F doped has a high transmittance about 65% in the visible region together with a direct band gap of 2.70 eV. Thicknesses, refractive indices and extinction coefficient values are determined by spectroscopic ellipsometry technique using Cauchy-Urbach model. (orig.)

  4. Effect of boron doping on the wear behavior of the growth and nucleation surfaces of micro- and nanocrystalline diamond films

    NARCIS (Netherlands)

    Buijnsters, J.G.; Tsigkourakos, M.C.; Hantschel, T.; Gomes, F.O.V.; Nuytten, T.; Favia, P.; Bender, H; Arstila, K.; Celis, JP; Vandervorst, W

    2016-01-01

    B-doped diamond has become the ultimate material for applications in the field of microelectromechanical systems (MEMS), which require both highly wear resistant and electrically conductive diamond films and microstructures. Despite the extensive research of the tribological properties of undoped

  5. Electron-tunneling observation of localized excited states in superconducting manganese-doped lead

    International Nuclear Information System (INIS)

    Tsang, J.; Ginsberg, D.M.

    1980-01-01

    We have made electron-tunneling measurements on a dilute, superconducting lead-manganese alloy. A well-defined structure was observed in the ac-conductance--voltage curves, indicating excited states within the BCS energy gap. These states were partially accounted for by Shiba theory when spin-dependent s-, p-, and d-wave scattering were included. The phase shifts used in doing that were the results of band calculations. The experimental data also show the existence of a broad background density of states in the energy gap, which cannot be accounted for by the theory

  6. Synthesis of Silver-Doped Titanium TiO2 Powder-Coated Surfaces and Its Ability to Inactivate Pseudomonas aeruginosa and Bacillus subtilis

    Directory of Open Access Journals (Sweden)

    Saman Khan

    2013-01-01

    Full Text Available Hard, nonporous environmental surfaces in daily life are now receiving due recognition for their role in reducing the spread of several nosocomial infections. In this work, we established the photokilling effects of 1% silver-doped titanium dioxide TiO2. The nanoparticles synthesized by liquid impregnation method were characterized using X-ray diffraction (XRD, energy dispersive spectroscopy (EDS, and scanning electron microscopy (SEM. The Ag-TiO2 nanoparticle coatings that have been applied on glass and venetian blind surfaces were effective in generating a loss of viability of two bacteria (Pseudomonas aeruginosa and Bacillus subtilis after two hours of illumination under normal light in the visible spectrum. Such surfaces can be applicable to medical and other facilities where the potential for infection should be controlled.

  7. Synthesis of Silver-Doped Titanium TiO2 Powder-Coated Surfaces and Its Ability to Inactivate Pseudomonas aeruginosa and Bacillus subtilis

    International Nuclear Information System (INIS)

    Khan, S.; Qazi, I.A.; Hashmi, I.; Awan, M.A.; Zaidi, N.S.S.

    2013-01-01

    Hard, non porous environmental surfaces in daily life are now receiving due recognition for their role in reducing the spread of several nosocomial infections. In this work, we established the photo killing effects of 1% silver-doped titanium dioxide TiO 2 . The nanoparticles synthesized by liquid impregnation method were characterized using X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), and scanning electron microscopy (SEM). The Ag-TiO 2 nanoparticle coatings that have been applied on glass and venetian blind surfaces were effective in generating a loss of viability of two bacteria (Pseudomonas aeruginosa and Bacillus subtilis) after two hours of illumination under normal light in the visible spectrum. Such surfaces can be applicable to medical and other facilities where the potential for infection should be controlled

  8. Potential Energy Surface of NO on Pt(997: Adsorbed States and Surface Diffusion

    Directory of Open Access Journals (Sweden)

    N. Tsukahara

    2012-01-01

    Full Text Available The potential energy surface (PES of NO on Pt(997 has been elucidated: the adsorption states and diffusion processes of NO on Pt(997 at low coverage were investigated by using infrared reflection absorption spectroscopy (IRAS and scanning tunneling microscopy (STM. When NO molecules adsorb on a surface at a low temperature (11 K, each molecule transiently migrates on the surface from the first impact point to a possible adsorption site. We found that there are four stable adsorption sites for NO on Pt(997: a bridge site of the upper step, an fcc- (or hcp- hollow site of the terrace, an on-top site of the terrace, and an fcc-hollow site of the lower step. At higher temperatures above 45 K, NO molecules start to migrate thermally to more stable adsorption sites on a terrace, and they are finally trapped at the bridge sites of the step, which are the most stable among the four sites.

  9. Synthesis of calcium-phosphorous doped TiO2 nanotubes by anodization and reverse polarization: A promising strategy for an efficient biofunctional implant surface

    International Nuclear Information System (INIS)

    Alves, Sofia A.; Patel, Sweetu B.; Sukotjo, Cortino; Mathew, Mathew T.; Filho, Paulo N.; Celis, Jean-Pierre

    2017-01-01

    Highlights: • A new surface modification methodology for bio-functionalization of TiO2 NTs is addressed • Bone-like structured TiO2 nanotubular surfaces containing Ca and P were synthesized. • Ca/P-doped TiO2 NTs enhanced adhesion and proliferation of osteoblastic-like cells. • The bio-functionalization granted improved bio-electrochemical stability to TiO2 NTs. - Abstract: The modification of surface features such as nano-morphology/topography and chemistry have been employed in the attempt to design titanium oxide surfaces able to overcome the current dental implants failures. The main goal of this study is the synthesis of bone-like structured titanium dioxide (TiO 2 ) nanotubes enriched with Calcium (Ca) and Phosphorous (P) able to enhance osteoblastic cell functions and, simultaneously, display an improved corrosion behavior. To achieve the main goal, TiO 2 nanotubes were synthetized and doped with Ca and P by means of a novel methodology which relied, firstly, on the synthesis of TiO 2 nanotubes by anodization of titanium in an organic electrolyte followed by reverse polarization and/or anodization, in an aqueous electrolyte. Results show that hydrophilic bone-like structured TiO 2 nanotubes were successfully synthesized presenting a highly ordered nano-morphology characterized by non-uniform diameters. The chemical analysis of such nanotubes confirmed the presence of CaCO 3 , Ca 3 (PO 4 ) 2 , CaHPO 4 and CaO compounds. The nanotube surfaces submitted to reverse polarization, presented an improved cell adhesion and proliferation compared to smooth titanium. Furthermore, these surfaces displayed a significantly lower passive current in artificial saliva, and so, potential to minimize their bio-degradation through corrosion processes. This study addresses a very simple and promising multidisciplinary approach bringing new insights for the development of novel methodologies to improve the outcome of osseointegrated implants.

  10. On surface states and star-subalgebras in string field theory

    Energy Technology Data Exchange (ETDEWEB)

    Fuchs, Ehud [Max Planck Insitut fuer Gravitationsphysik, Albert Einstein Institut, 14476 Golm (Germany); Kroyter, Michael [School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Ramat Aviv, 69978 (Israel)]. E-mail: mikroyt@post.tau.ac.il

    2004-10-01

    We elaborate on the relations between surface states and squeezed states. First, we investigate two different criteria for determining whether a matter sector squeezed state is also a surface state and show that the two criteria are equivalent. Then, we derive similar criteria for the ghost sector. Next, we refine the criterion for determining whether a surface state is in H{sub k}{sup 2}, the subalgebra of squeezed states obeying [S,K{sub 1}{sup 2}]=0. This enables us to find all the surface states of the H{sub k}{sup 2} subalgebra, and show that it consists only of wedge states and (hybrid) butterflies. Finally, we investigate generalizations of this criterion and find an infinite family of surface states subalgebras, whose surfaces are described using a 'generalized Schwarz-Christoffel' mapping. (author)

  11. Sodium-Doped Mesoporous Ni2P2O7 Hexagonal Tablets for High-Performance Flexible All-Solid-State Hybrid Supercapacitors.

    Science.gov (United States)

    Wei, Chengzhen; Cheng, Cheng; Wang, Shanshan; Xu, Yazhou; Wang, Jindi; Pang, Huan

    2015-08-01

    A simple hydrothermal method has been developed to prepare hexagonal tablet precursors, which are then transformed into porous sodium-doped Ni2P2O7 hexagonal tablets by a simple calcination method. The obtained samples were evaluated as electrode materials for supercapacitors. Electrochemical measurements show that the electrode based on the porous sodium-doped Ni2P2O7 hexagonal tablets exhibits a specific capacitance of 557.7 F g(-1) at a current density of 1.2 A g(-1) . Furthermore, the porous sodium-doped Ni2P2O7 hexagonal tablets were successfully used to construct flexible solid-state hybrid supercapacitors. The device is highly flexible and achieves a maximum energy density of 23.4 Wh kg(-1) and a good cycling stability after 5000 cycles, which confirms that the porous sodium-doped Ni2P2 O7 hexagonal tablets are promising active materials for flexible supercapacitors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Direct observation of multivalent states and 4 f →3 d charge transfer in Ce-doped yttrium iron garnet thin films

    Science.gov (United States)

    Vasili, H. B.; Casals, B.; Cichelero, R.; Macià, F.; Geshev, J.; Gargiani, P.; Valvidares, M.; Herrero-Martin, J.; Pellegrin, E.; Fontcuberta, J.; Herranz, G.

    2017-07-01

    Due to their large magneto-optic responses, rare-earth-doped yttrium iron garnets, Y3F e5O12 (YIG), are highly regarded for their potential in photonics and magnonics. Here, we consider the case of Ce-doped YIG (Ce-YIG) thin films, in which substitutional C e3 + ions are magnetic because of their 4 f1 ground state. In order to elucidate the impact of Ce substitution on the magnetization of YIG, we have carried out soft x-ray spectroscopy measurements on Ce-YIG films. In particular, we have used the element specificity of x-ray magnetic circular dichroism to extract the individual magnetization curves linked to Ce and Fe ions. Our results show that Ce doping triggers a selective charge transfer from Ce to the Fe tetrahedral sites in the YIG structure. This, in turn, causes a disruption of the electronic and magnetic properties of the parent compound, reducing the exchange coupling between the Ce and Fe magnetic moments and causing atypical magnetic behavior. Our work is relevant for understanding magnetism in rare-earth-doped YIG and, eventually, may enable a quantitative evaluation of the magneto-optical properties of rare-earth incorporation into YIG.

  13. Synthesis of highly conductive thin-walled Al-doped ZnO single-crystal microtubes by a solid state method

    Science.gov (United States)

    Hu, Shuopeng; Wang, Yue; Wang, Qiang; Xing, Cheng; Yan, Yinzhou; Jiang, Yijian

    2018-06-01

    ZnO has attracted considerable attention in fundamental studies and practical applications for the past decade due to its outstanding performance in gas sensing, photocatalytic degradation, light harvesting, UV-light emitting/lasing, etc. The large-sized thin-walled ZnO (TW-ZnO) microtube with stable and rich VZn-related acceptors grown by optical vapor supersaturated precipitation (OVSP) is a novel multifunctional optoelectronic material. Unfortunately, the OVSP cannot achieve doping due to the vapor growth process. To obtain doped TW-ZnO microtubes, a solid state method is introduced in this work to achieve thin-walled Al-doping ZnO (TW-ZnO:Al) microtubes with high electrical conductivity. The morphology and microstructures of ZnO:Al microtubes are similar to undoped ones. The Al3+ ions are confirmed to substitute Zn2+ sites and Zn(0/-1) vacancies in the lattice of ZnO by EDS, XRD, Raman and temperature-dependent photoluminescence analyses. The Al dopant acting as a donor level offers massive free electrons to increase the carrier concentrations. The resistivity of the ZnO:Al microtube is reduced down to ∼10-3 Ω·cm, which is one order of magnitude lower than that of the undoped microtube. The present work provides a simple way to achieve doped ZnO tubular components for potential device applications in optoelectronics.

  14. Structural/surface characterization and catalytic evaluation of rare-earth (Y, Sm and La) doped ceria composite oxides for CH{sub 3}SH catalytic decomposition

    Energy Technology Data Exchange (ETDEWEB)

    He, Dedong; Chen, Dingkai; Hao, Husheng; Yu, Jie; Liu, Jiangping; Lu, Jichang; Liu, Feng [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China); Wan, Gengping [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China); Research Center for Analysis and Measurement, Hainan University, Haikou, 570228 (China); He, Sufang [Research Center for Analysis and Measurement, Kunming University of Science and Technology, Kunming, 650093 (China); Luo, Yongming, E-mail: environcatalysis222@yahoo.com [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China)

    2016-12-30

    Highlights: • Ce{sub 0.75}RE{sub 0.25}O{sub 2-δ} (RE = Y, Sm and La) were synthesized by citrate complexation method. • Ce{sub 0.75}Y{sub 0.25}O{sub 2-δ} exhibited the best stability for the decomposition of CH{sub 3}SH. • Cation radius played a key role in determining structure and surface characteristics. • Catalytic behavior depended on synergistic role of oxygen vacancies and basic sites. • Ce{sub 2}S{sub 3} accumulation on the surface was responsible for the deactivation of catalyst. - Abstract: A series of rare earth (Y, Sm and La) doped ceria composite oxides and pure CeO{sub 2} were synthesized and evaluated by conducting CH{sub 3}SH catalytic decomposition test. Several characterization studies, including XRD, BET, Raman, H{sub 2}-TPR, XPS, FT-IR, CO{sub 2}-TPD and CH{sub 3}SH-TPD, were undertaken to correlate structural and surface properties of the obtained ceria-based catalysts with their catalytic performance for CH{sub 3}SH decomposition. More oxygen vacancies and increased basic sites exhibited in the rare earth doped ceria catalysts. Y doped ceria sample (Ce{sub 0.75}Y{sub 0.25}O{sub 2-δ}), with a moderate increase in basic sites, contained more oxygen vacancies. More structural defects and active sites could be provided, and a relatively small amount of sulfur would accumulate, which resulted in better catalytic performance. The developed catalyst presented good catalytic behavior with stability very similar to that of typical zeolite-based catalysts reported previously. However, La doped ceria catalyst (Ce{sub 0.75}La{sub 0.25}O{sub 2-δ}) with the highest alkalinity was not the most active one. More sulfur species would be adsorbed and a large amount of cerium sulfide species (Ce{sub 2}S{sub 3}) would accumulate, which caused deactivation of the catalysts. The combined effect of increased oxygen vacancies and alkalinity led to the catalytic stability of Ce{sub 0.75}Sm{sub 0.25}O{sub 2-δ} sample was comparable to that of pure Ce

  15. Enriched Boron-Doped Amorphous Selenium Based Position-Sensitive Solid-State Thermal Neutron Detector for MPACT Applications

    Energy Technology Data Exchange (ETDEWEB)

    Mandal, Krishna [Univ. of South Carolina, Columbia, SC (United States)

    2017-09-29

    High-efficiency thermal neutron detectors with compact size, low power-rating and high spatial, temporal and energy resolution are essential to execute non-proliferation and safeguard protocols. The demands of such detector are not fully covered by the current detection system such as gas proportional counters or scintillator-photomultiplier tube combinations, which are limited by their detection efficiency, stability of response, speed of operation, and physical size. Furthermore, world-wide shortage of 3He gas, required for widely used gas detection method, has further prompted to design an alternative system. Therefore, a solid-state neutron detection system without the requirement of 3He will be very desirable. To address the above technology gap, we had proposed to develop new room temperature solidstate thermal neutron detectors based on enriched boron (10B) and enriched lithium (6Li) doped amorphous Se (As- 0.52%, Cl 5 ppm) semiconductor for MPACT applications. The proposed alloy materials have been identified for its many favorable characteristics - a wide bandgap (~2.2 eV at 300 K) for room temperature operation, high glass transition temperature (tg ~ 85°C), a high thermal neutron cross-section (for boron ~ 3840 barns, for lithium ~ 940 barns, 1 barn = 10-24 cm2), low effective atomic number of Se for small gamma ray sensitivity, and high radiation tolerance due to its amorphous structure.

  16. Enriched Boron-Doped Amorphous Selenium Based Position-Sensitive Solid-State Thermal Neutron Detector for MPACT Applications

    International Nuclear Information System (INIS)

    Mandal, Krishna

    2017-01-01

    High-efficiency thermal neutron detectors with compact size, low power-rating and high spatial, temporal and energy resolution are essential to execute non-proliferation and safeguard protocols. The demands of such detector are not fully covered by the current detection system such as gas proportional counters or scintillator-photomultiplier tube combinations, which are limited by their detection efficiency, stability of response, speed of operation, and physical size. Furthermore, world-wide shortage of 3 He gas, required for widely used gas detection method, has further prompted to design an alternative system. Therefore, a solid-state neutron detection system without the requirement of 3 He will be very desirable. To address the above technology gap, we had proposed to develop new room temperature solidstate thermal neutron detectors based on enriched boron ( 10 B) and enriched lithium ( 6 Li) doped amorphous Se (As- 0.52%, Cl 5 ppm) semiconductor for MPACT applications. The proposed alloy materials have been identified for its many favorable characteristics - a wide bandgap (~2.2 eV at 300 K) for room temperature operation, high glass transition temperature (t g ~ 85°C), a high thermal neutron cross-section (for boron ~ 3840 barns, for lithium ~ 940 barns, 1 barn = 10 -24 cm 2 ), low effective atomic number of Se for small gamma ray sensitivity, and high radiation tolerance due to its amorphous structure.

  17. Density of Electronic States in Impurity-Doped Quantum Well Wires

    Science.gov (United States)

    Sierra-Ortega, J.; Mikhailov, I. D.

    2003-03-01

    We analyze the electronic states in a cylindrical quantum well-wire (QWW) with randomly distributed neutral, D^0 and negatively charged D^- donors. In order to calculate the ground state energies of the off-center donors D^0 and D^- as a function of the distance from the axis of the QWW, we use the recently developed fractal dimension method [1]. There the problems are reduced to those similar for a hydrogen-like atom and a negative-hydrogen-like ion respectively, in an isotropic effective space with variable fractional dimension. The numerical trigonometric sweep method [2] and the three-parameter Hylleraas-type trial function are used to solve these problems. Novel curves for the density of impurity states in cylindrical QWWs with square-well, parabolic and soft-edge barrier potentials are present. Additionally we analyze the effect of the repulsive core on the density of the impurity states. [1] I.D. Mikhailov, F. J. Betancur, R. Escorcia and J. Sierra-Ortega, Phys. Stat. Sol., 234(b), 590 (2002) [2] F. J. Betancur, I. D. Mikhailov and L. E. Oliveira, J. Appl. Phys. D, 31, 3391(1998)

  18. Dynamic conductivity modified by impurity resonant states in doping three-dimensional Dirac semimetals

    Science.gov (United States)

    Li, Shuai; Wang, Chen; Zheng, Shi-Han; Wang, Rui-Qiang; Li, Jun; Yang, Mou

    2018-04-01

    The impurity effect is studied in three-dimensional Dirac semimetals in the framework of a T-matrix method to consider the multiple scattering events of Dirac electrons off impurities. It has been found that a strong impurity potential can significantly restructure the energy dispersion and the density of states of Dirac electrons. An impurity-induced resonant state emerges and significantly modifies the pristine optical response. It is shown that the impurity state disturbs the common longitudinal optical conductivity by creating either an optical conductivity peak or double absorption jumps, depending on the relative position of the impurity band and the Fermi level. More importantly, these conductivity features appear in the forbidden region between the Drude and interband transition, completely or partially filling the Pauli block region of optical response. The underlying physics is that the appearance of resonance states as well as the broadening of the bands leads to a more complicated selection rule for the optical transitions, making it possible to excite new electron-hole pairs in the forbidden region. These features in optical conductivity provide valuable information to understand the impurity behaviors in 3D Dirac materials.

  19. History of surface weather observations in the United States

    Science.gov (United States)

    Fiebrich, Christopher A.

    2009-04-01

    In this paper, the history of surface weather observations in the United States is reviewed. Local weather observations were first documented in the 17th Century along the East Coast. For many years, the progression of a weather observation from an initial reading to dissemination remained a slow and laborious process. The number of observers remained small and unorganized until agencies including the Surgeon General, Army, and General Land Office began to request regular observations at satellite locations in the 1800s. The Smithsonian was responsible for first organizing a large "network" of volunteer weather observers across the nation. These observers became the foundation for today's Cooperative Observer network. As applications of weather data continued to grow and users required the data with an ever-decreasing latency, automated weather networks saw rapid growth in the later part of the 20th century. Today, the number of weather observations across the U.S. totals in the tens of thousands due largely to privately-owned weather networks and amateur weather observers who submit observations over the internet.

  20. Morphological and electrochemical properties of boron-doped diamond films on carbon cloths with enhanced surface area

    International Nuclear Information System (INIS)

    Silva, L.L.G.; Ferreira, N.G.; Corat, E.J.

    2008-01-01

    The electrochemical properties of doped diamond electrodes (10 17 -10 19 B cm -3 ) grown on carbon fiber cloths in H 2 SO 4 0.1 mol L -1 electrolyte were investigated. Cyclic voltammograms of B-doped diamond/carbon fiber cloth and carbon fiber cloth electrodes showed that both kinds of electrodes possess similar working potential windows of about 2.0 V. The electrode capacitance was determined by impedance spectroscopy and chronopotentiometry measurements and very close values were obtained. The capacitance values of the diamond film on carbon fiber cloths were 180 times higher than the ones of diamond films on Si. In this paper we have also discussed the capacitance frequency dependence of diamond/carbon cloth electrodes

  1. Effect of strain, substrate surface and growth rate on B-doping in selectively grown SiGe layers

    International Nuclear Information System (INIS)

    Ghandi, R.; Kolahdouz, M.; Hallstedt, J.; Wise, R.; Wejtmans, Hans; Radamson, H.H.

    2008-01-01

    In this work, the role of strain and growth rate on boron incorporation in selective epitaxial growth (SEG) of B-doped Si 1-x Ge x (x = 0.15-0.25) layers in recessed or unprocessed (elevated) openings for source/drain applications in CMOS has been studied. A focus has been made on the strain distribution and B incorporation in SEG of SiGe layers

  2. Effect of strain, substrate surface and growth rate on B-doping in selectively grown SiGe layers

    Energy Technology Data Exchange (ETDEWEB)

    Ghandi, R. [School of Information and Communication Technology, KTH (Royal Institute of Technology), Isafjordsg. 22-26, Electrum 229, 16640 Kista (Sweden)], E-mail: ghandi@kth.se; Kolahdouz, M.; Hallstedt, J. [School of Information and Communication Technology, KTH (Royal Institute of Technology), Isafjordsg. 22-26, Electrum 229, 16640 Kista (Sweden); Wise, R.; Wejtmans, Hans [Texas Instrument, 13121 TI Boulevard, Dallas, Tx 75243 (United States); Radamson, H.H. [School of Information and Communication Technology, KTH (Royal Institute of Technology), Isafjordsg. 22-26, Electrum 229, 16640 Kista (Sweden)

    2008-11-03

    In this work, the role of strain and growth rate on boron incorporation in selective epitaxial growth (SEG) of B-doped Si{sub 1-x}Ge{sub x} (x = 0.15-0.25) layers in recessed or unprocessed (elevated) openings for source/drain applications in CMOS has been studied. A focus has been made on the strain distribution and B incorporation in SEG of SiGe layers.

  3. 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.

  4. Superconductivity in doped Dirac semimetals

    Science.gov (United States)

    Hashimoto, Tatsuki; Kobayashi, Shingo; Tanaka, Yukio; Sato, Masatoshi

    2016-07-01

    We theoretically study intrinsic superconductivity in doped Dirac semimetals. Dirac semimetals host bulk Dirac points, which are formed by doubly degenerate bands, so the Hamiltonian is described by a 4 ×4 matrix and six types of k -independent pair potentials are allowed by the Fermi-Dirac statistics. We show that the unique spin-orbit coupling leads to characteristic superconducting gap structures and d vectors on the Fermi surface and the electron-electron interaction between intra and interorbitals gives a novel phase diagram of superconductivity. It is found that when the interorbital attraction is dominant, an unconventional superconducting state with point nodes appears. To verify the experimental signature of possible superconducting states, we calculate the temperature dependence of bulk physical properties such as electronic specific heat and spin susceptibility and surface state. In the unconventional superconducting phase, either dispersive or flat Andreev bound states appear between point nodes, which leads to double peaks or a single peak in the surface density of states, respectively. As a result, possible superconducting states can be distinguished by combining bulk and surface measurements.

  5. Study of non stoichiometric pure and Zr-Doped yttria surfaces by X-Ray photoelectron spectroscopy and scanning electron microscopy

    International Nuclear Information System (INIS)

    Gautier, M.; Duraud, J.P.; Jollet, F.; Thromat, N.; Maire, P.; Le Gressus, C.

    1988-01-01

    Surfaces of oxygen-deficient yttrium oxide, pure or Zr-doped, have been studied by means of X-ray photoelectron spectroscopy and scanning electron microscopy. The bulk local geometric structure of these non-stoichiometric compounds was previously determined around the Y atom by an EXAFS (Extended X-ray absorption fine structure) study. The local electronic structure around both Y and O, at the surface, was investigated by X-ray photoelectron spectroscopy. The partial transfer of the electronic distribution between the anion and the cation was probed using the Auger parameter. Coupling of these experiments with microscopic observations show that: - In the pure oxygen-deficient sample, the concentration of oxygen vacancies appears to be increased at the grain boundaries. - The Auger parameter shows upon reduction an evolution of the Y-O bond towards a more covalent one, this evolution being modulated with the presence of Zr0 2

  6. Temperature Mapping of Air Film-Cooled Thermal Barrier Coated Surfaces Using Cr-Doped GdAlO3 Phosphor Thermography

    Science.gov (United States)

    Eldridge, Jeffrey I.; Shyam, Vikram; Wroblewski, Adam C.; Zhu, Dongming; Cuy, Michael D.; Wolfe, Douglas E.

    2016-01-01

    It has been recently shown that the high luminescence intensity from a Cr-doped GdAlO3 (Cr:GdAlO3) thermographic phosphor enables non-rastered full-field temperature mapping of thermal barrier coating (TBC) surfaces to temperatures above 1000C. In this presentation, temperature mapping by Cr:GdAlO3 based phosphor thermometry of air film-cooled TBC-coated surfaces is demonstrated for both scaled-up cooling hole geometries as well as for actual components in a burner rig test environment. The effects of thermal background radiation and flame chemiluminescence on the measurements are investigated, and advantages of this method over infrared thermography as well as the limitations of this method for studying air film cooling are discussed.

  7. Enhancement of efficiency by embedding ZnS and Mn-doped ZnS nanoparticles in P3HT:PCBM hybrid solid state solar cells

    Science.gov (United States)

    Jabeen, Uzma; Adhikari, Tham; Shah, Syed Mujtaba; Nunzi, Jean-Michel; Badshah, Amin; Ahmad, Iqbal

    2017-06-01

    Zinc sulphide (ZnS) and Mn-doped ZnS nanoparticles were synthesized by wet chemical method. The synthesized nanoparticles were characterized by UV-visible, fluorescence, X-ray diffraction (XRD), fourier transform infra-red (FTIR) spectrometer, field emission scanning electron microscope (FESEM) and high resolution transmission electron microscope (HRTEM). Scanning electron microscope (SEM) was used to find particle size while chemical composition of the synthesized materials was investigated by EDAX. UV-visible absorption spectrum of Mn-doped ZnS was slightly shifted to lower wavelength with respect to the un-doped zinc sulphide with decrease in the size of nanoparticles. Consequently, the band gap was tuned from 3.04 to 3.13 eV. The photoluminescence (PL) emission positioned at 597 nm was ascribed to 4T1 → 6A1 transition within the 3d shell of Mn2+. X-ray diffraction (XRD) analysis revealed that the synthesized nanomaterials existed in cubic crystalline state. The effect of embedding un-doped and doped ZnS nanoparticles in the active layer and changing the ratio of PCBM ([6, 6]-phenyl-C61-butyric acid methyl ester) to nanoparticles on the performance of hybrid solar cell was studied. The device with active layer consisting of poly(3-hexylthiophene) (P3HT), [6, 6]-phenyl-C61-butyric acid methyl ester (PCBM), and un-doped ZnS nanoparticles combined in the ratio of (1:0.5:0.5) attained an efficiency of 2.42% which was found 71% higher than the reference device under the same conditions but not containing nanoparticles. Replacing ZnS nanoparticles with Mn-doped ZnS had a little effect on the enhancement of efficiency. The packing behavior and morphology of blend of nanoparticles with P3HT:PCBM were examined using atomic force microscope (AFM) and XRD. Contribution to the topical issue "Materials for Energy harvesting, conversion and storage II (ICOME 2016)", edited by Jean-Michel Nunzi, Rachid Bennacer and Mohammed El Ganaoui

  8. Plasmonic Properties of Silicon Nanocrystals Doped with Boron and Phosphorus.

    Science.gov (United States)

    Kramer, Nicolaas J; Schramke, Katelyn S; Kortshagen, Uwe R

    2015-08-12

    Degenerately doped silicon nanocrystals are appealing plasmonic materials due to silicon's low cost and low toxicity. While surface plasmonic resonances of boron-doped and phosphorus-doped silicon nanocrystals were recently observed, there currently is poor understanding of the effect of surface conditions on their plasmonic behavior. Here, we demonstrate that phosphorus-doped silicon nanocrystals exhibit a plasmon resonance immediately after their synthesis but may lose their plasmonic response with oxidation. In contrast, boron-doped nanocrystals initially do not exhibit plasmonic response but become plasmonically active through postsynthesis oxidation or annealing. We interpret these results in terms of substitutional doping being the dominant doping mechanism for phosphorus-doped silicon nanocrystals, with oxidation-induced defects trapping free electrons. The behavior of boron-doped silicon nanocrystals is more consistent with a strong contribution of surface doping. Importantly, boron-doped silicon nanocrystals exhibit air-stable plasmonic behavior over periods of more than a year.

  9. Detection of spin-states in Mn-doped gallium arsenide films

    International Nuclear Information System (INIS)

    Hofer, Werner A; Palotas, Krisztian; Teobaldi, Gilberto; Sadowski, Janusz; Mikkelsen, Anders; Lundgren, Edvin

    2007-01-01

    We show that isolated magnetic dipoles centred at the position of manganese impurities in a gallium arsenide lattice lead to spin polarized states in the bandgap of the III-V semiconductor. Spectroscopy simulations with a tungsten tip agree well with experimental data; in this case, no difference can be observed for the two magnetic groundstates. But if the signal is read with a magnetic iron tip, it changes by a factor of up to 20, depending on the magnetic orientation of the Mn atom

  10. Adhesion profile and differentiation capacity of human adipose tissue derived mesenchymal stem cells grown on metal ion (Zn, Ag and Cu) doped hydroxyapatite nano-coated surfaces.

    Science.gov (United States)

    Bostancioglu, R Beklem; Gurbuz, Mevlut; Akyurekli, Ayse Gul; Dogan, Aydin; Koparal, A Savas; Koparal, A Tansu

    2017-07-01

    Accelerated Mesenchymal Stem Cells (MSCs) condensation and robust MSC-matrix and MSC-MSC interactions on nano-surfaces may provide critical factors contributing to such events, likely through the orchestrated signal cascades and cellular events modulated by the extracellular matrix. In this study, human adipose tissue derived mesenchymal stem cells (hMSC)', were grown on metal ion (Zn, Ag and Cu) doped hydroxyapatite (HAP) nano-coated surfaces. These metal ions are known to have different chemical and surface properties; therefore we investigated their respective contributions to cell viability, cellular behavior, osteogenic differentiation capacity and substrate-cell interaction. Nano-powders were produced using a wet chemical process. Air spray deposition was used to accumulate the metal ion doped HAP films on a glass substrate. Cell viability was determined by MTT, LDH and DNA quantitation methods Osteogenic differentiation capacity of hMSCs was analyzed with Alizarin Red Staining and Alkaline Phosphatase Specific Activity. Adhesion of the hMSCs and the effect of cell adhesion on biomaterial biocompatibility were explored through cell adhesion assay, immunofluorescence staining for vinculin and f-actin cytoskeleton components, SEM and microarray including 84 known extracellular matrix proteins and cell adhesion pathway genes, since, adhesion is the first step for good biocompability. The results demonstrate that the viability and osteogenic differentiation of the hMSCs (in growth media without osteogenic stimulation) and cell adhesion capability are higher on nanocoated surfaces that include Zn, Ag and/or Cu metal ions than commercial HAP. These results reveal that Zn, Ag and Cu metal ions contribute to the biocompatibility of exogenous material. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Surface and bulk electronic structures of unintentionally and Mg-doped In0.7Ga0.3N epilayer by hard X-ray photoelectron spectroscopy

    Science.gov (United States)

    Imura, Masataka; Tsuda, Shunsuke; Takeda, Hiroyuki; Nagata, Takahiro; Banal, Ryan G.; Yoshikawa, Hideki; Yang, AnLi; Yamashita, Yoshiyuki; Kobayashi, Keisuke; Koide, Yasuo; Yamaguchi, Tomohiro; Kaneko, Masamitsu; Uematsu, Nao; Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi

    2018-03-01

    The surface and bulk electronic structures of In0.7Ga0.3N epilayers are investigated by angle-resolved hard X-ray photoelectron spectroscopy (HX-PES) combined with soft X-PES. The unintentionally and Mg-doped In0.7Ga0.3N (u-In0.7Ga0.3N and In0.7Ga0.3N:Mg, respectively) epilayers are grown by radio-frequency plasma-assisted molecular beam epitaxy. Here three samples with different Mg concentrations ([Mg] = 0, 7 × 1019, and 4 × 1020 cm-3) are chosen for comparison. It is found that a large downward energy band bending exists in all samples due to the formation of a surface electron accumulation (SEA) layer. For u-In0.7Ga0.3N epilayer, band bending as large as 0.8 ± 0.05 eV occurs from bulk to surface. Judged from the valence band spectral edge and numerical analysis of energy band with a surface quantum well, the valence band maximum (VBM) with respect to Fermi energy (EF) level in the bulk is determined to be 1.22 ± 0.05 eV. In contrast, for In0.7Ga0.3N:Mg epilayers, the band bending increases and the VBM only in the bulk tends to shift toward the EF level owing to the Mg acceptor doping. Hence, the energy band is considered to exhibit a downward bending structure due to the coexistence of the n+ SEA layer and Mg-doped p layer formed in the bulk. When [Mg] changes from 7 × 1019 to 4 × 1020 cm-3, the peak split occurs in HX-PES spectra under the bulk sensitive condition. This result indicates that the energy band forms an anomalous downward bending structure with a singular point due to the generation of a thin depleted region at the n+ p interface. For In0.7Ga0.3N:Mg epilayers, the VBM in the bulk is assumed to be slightly lower than EF level within 0.1 eV.

  12. Electron-tunneling observation of local excited states in manganese-doped indium

    International Nuclear Information System (INIS)

    Tsang, J.; Ginsberg, D.M.

    1980-01-01

    We have measured the electron-tunneling characteristics of a dilute indium-manganese alloy. Well-defined structure was observed, corresponding to a band of local excited states within the energy gap. The measurements were made on two samples, and were quantitatively compared with the theory of Shiba and of Rusinov. We obtained good agreement of the tunneling data with the theory by taking into account only s-wave scattering of conduction electrons from the magnetic-impurity atoms. Even better agreement was obtained by including p- and d-wave scattering. Only by including these higher partial waves could we account for the magnitude of the observed depression of the transition temperature. The phase shifts used are in good agreement with band-theory values calculated recently

  13. A self-template and self-activation co-coupling green strategy to synthesize high surface area ternary-doped hollow carbon microspheres for high performance supercapacitors.

    Science.gov (United States)

    Gao, Meng; Fu, Jianwei; Wang, Minghuan; Wang, Kai; Wang, Shaomin; Wang, Zhiwei; Chen, Zhimin; Xu, Qun

    2018-04-06

    Development of facile and cost-effective routes to achieve hierarchical porous and heteroatoms-doped carbon architectures is urgently needed for high-performance supercapacitor application. In our study, ternary-doped (nitrogen, phosphorus and oxygen) hollow carbon microspheres (NPO-HCSs) are fabricated by one-step pyrolysis of single poly(cyclotriphosphazene-co-phloroglucinol) (PCPP) microsphere, which is generated through a facile polymerization between hexachlorocyclotriphosphazene and phloroglucinol at mild conditions. The whole preparation process is not used any additional template or activating agent. The obtained NPO-HCS-950 with average diameter of 580 nm and shell thickness of about 80 nm have a high specific surface area (2390 m 2  g -1 ), a large pore volume (1.35 cm 3  g -1 ), hierarchically interconnected pore texture, and uniform ternary heteroatom doping (O: 3.04 at%; N: 1.33 at% and P: 0.67 at%). As an electrode material for supercapacitors, the specific capacitance of the NPO-HCS-950 reaches 253 F g -1 of 1 A g - 1 and 176 F g -1 at 20 A g -1 , revealing superior rate performance. The capacity retention after 10,000 consecutive charge-discharge cycles at 20 A g -1 is up to 98.9%, demonstrating excellent cycling stability. Moreover, the assembled symmetric supercapacitor using NPO-HCS-950 exhibits a relatively high energy density of 17.6 W h kg -1 at a power density of 800 W kg -1 . Thus, a promising electrode material for high-performance supercapacitors is obtained through a facile, green and scalable synthesis route. Copyright © 2018 Elsevier Inc. All rights reserved.

  14. Preparation and characterization of layer-by-layer self-assembled polyelectrolyte multilayer films doped with surface-capped SiO2 nanoparticles.

    Science.gov (United States)

    Yang, Guangbin; Ma, Hongxia; Yu, Laigui; Zhang, Pingyu

    2009-05-15

    SiO(2) nanoparticles capped with gamma-aminopropyltrimethoxysilane were doped into polyelectrolyte (poly(allylamine hydrochloride), PAH, and poly(acrylic acid), PAA) multilayer films via spin-assisted layer-by-layer self-assembly. The resulting as-prepared multilayer films were heated at a proper temperature to generate cross-linked composite films with increased adhesion to substrates. The tribological behavior of the multilayer films was evaluated on a microtribometer. It was found that SiO(2)-doped composite films had better wear resistance than pure polyelectrolyte multilayers, possibly because doped SiO(2) nanoparticles were capable of enhancing load-carrying capacity and had "miniature ball bearings" effect. Moreover, heat-treatment had significant effect on the morphology of the composite films. Namely, heat-treated (SiO(2)/PAA)(9) film had a larger roughness than the as-prepared one, due to heat-treatment-induced agglomeration of SiO(2) nanoparticles and initiation of defects. However, heat-treated (PAH/PAA)(3)/(SiO(2)/PAA)(3)(PAH/PAA)(3) film had greatly reduced roughness than the as-prepared one, and it showed considerably improved wear resistance as well. This could be closely related to the "sandwich-like" structure of the composite multilayer film. Namely, the outermost strata of composite multilayer film were able to eliminate defects associated with the middle strata, allowing nanoparticles therein to maintain strength and robustness while keeping soft and fluid-like exposed surface. And the inner strata were well anchored to substrate and acted as an initial "bed" for SiO(2) nanoparticles to be inhabited, resulting in good antiwear ability.

  15. Facilitated Oxygen Chemisorption in Heteroatom-Doped Carbon for Improved Oxygen Reaction Activity in All-Solid-State Zinc-Air Batteries.

    Science.gov (United States)

    Liu, Sisi; Wang, Mengfan; Sun, Xinyi; Xu, Na; Liu, Jie; Wang, Yuzhou; Qian, Tao; Yan, Chenglin

    2018-01-01

    Driven by the intensified demand for energy storage systems with high-power density and safety, all-solid-state zinc-air batteries have drawn extensive attention. However, the electrocatalyst active sites and the underlying mechanisms occurring in zinc-air batteries remain confusing due to the lack of in situ analytical techniques. In this work, the in situ observations, including X-ray diffraction and Raman spectroscopy, of a heteroatom-doped carbon air cathode are reported, in which the chemisorption of oxygen molecules and oxygen-containing intermediates on the carbon material can be facilitated by the electron deficiency caused by heteroatom doping, thus improving the oxygen reaction activity for zinc-air batteries. As expected, solid-state zinc-air batteries equipped with such air cathodes exhibit superior reversibility and durability. This work thus provides a profound understanding of the reaction principles of heteroatom-doped carbon materials in zinc-air batteries. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Ion bombardment effects on surface states in selected oxide systems: rutile and alkaline earth titanates

    International Nuclear Information System (INIS)

    Gruen, D.M.

    1978-01-01

    In this paper, the nature of the surface states of n-type TiO 2 and SrTiO 3 is discussed and the role of ion bombardment in modifying the properties of these states is elucidated. Insofar as possible, the interrelationships between oxide nonstoichiometry, surface states, ion bombardment effects and photoelectrolysis are explored

  17. Ultrasonic Surface Treatment of Titanium Alloys. The Submicrocrystalline State

    Science.gov (United States)

    Klimenov, V. A.; Vlasov, V. A.; Borozna, V. Y.; Klopotov, A. A.

    2015-09-01

    The paper presents the results of the research on improvement of physical-and- mechanical properties of titanium alloys VT1-0 and VT6 by modification of surfaces using ultrasonic treatment, and a comprehensive study of the microstructure and mechanical properties of modified surface layers. It has been established that exposure to ultrasonic treatment leads to formation in the surface layer of a structure with an average size of elements 50 - 100 nm, depending on the brand of titanium alloy.

  18. Carbon doped lanthanum aluminate (LaAlO{sub 3}:C) UV thermoluminescent properties synthesized by solid state reaction with three different mixing methodologies

    Energy Technology Data Exchange (ETDEWEB)

    Alves, N., E-mail: neire.radiologia@yahoo.com.br, E-mail: farialo@cdtn.br [Universidade Federal do Estado de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear; Ferraz, W.B.; Faria, L.O., E-mail: ferrazw@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2017-07-01

    In this work we discuss the thermoluminescent (TL) response for LaAlO{sub 3}:C crystals grown by using three different combinations of Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and carbon atoms during the synthesis process. Recently, LaAlO{sub 3} single crystals, co-doped with Ce{sup 3+} and Dy{sup 3+} rare earth trivalent ions and grown under hydrothermal conditions, have been reported to show high thermoluminescent response (TL) when exposed to low levels of ultraviolet radiation (UVR). However, undoped LaAlO{sub 3} synthesized by solid state reaction method from the 1:1 mixture of aluminum and lanthanum oxide under reducing atmosphere revealed to have still higher thermoluminescent sensitivity to UV photon fields than the co-doped with Ce{sup 3+} and Dy{sup 3+}. It is well known that carbon doped aluminum oxide monocrystals have excellent TL and photoluminescent response properties for X-rays, UV and gamma radiation fields. Thus, we conducted three different syntheses of LaAlO{sub 3} by the solid state reaction method, doping the mixture with carbon. The lanthanum aluminate polycrystals were synthesized from the 1:1 mixture of aluminum and lanthanum oxide, adding 0.1wt.% carbon and annealed at 1700°C for two hours in hydrogen atmosphere. The X-ray diffraction analysis revealed the formation of rhombohedral LaAlO{sub 3} crystallographic phase, however a small percentage (15%) of Al{sub 2}O{sub 3} has been also identified. The UV-Vis absorbance spectra were obtained and F and F{sup +}- center were ascribed. The UV irradiations were carried out using a commercial 8W UV lamp. Thermoluminescence measurements were performed at a Harshaw 4500 TL reader. All compositions investigated have shown high TL sensitivity to UVR. (author)

  19. Carbon doped lanthanum aluminate (LaAlO3:C) UV thermoluminescent properties synthesized by solid state reaction with three different mixing methodologies

    International Nuclear Information System (INIS)

    Alves, N.

    2017-01-01

    In this work we discuss the thermoluminescent (TL) response for LaAlO 3 :C crystals grown by using three different combinations of Al 2 O 3 , La 2 O 3 and carbon atoms during the synthesis process. Recently, LaAlO 3 single crystals, co-doped with Ce 3+ and Dy 3+ rare earth trivalent ions and grown under hydrothermal conditions, have been reported to show high thermoluminescent response (TL) when exposed to low levels of ultraviolet radiation (UVR). However, undoped LaAlO 3 synthesized by solid state reaction method from the 1:1 mixture of aluminum and lanthanum oxide under reducing atmosphere revealed to have still higher thermoluminescent sensitivity to UV photon fields than the co-doped with Ce 3+ and Dy 3+ . It is well known that carbon doped aluminum oxide monocrystals have excellent TL and photoluminescent response properties for X-rays, UV and gamma radiation fields. Thus, we conducted three different syntheses of LaAlO 3 by the solid state reaction method, doping the mixture with carbon. The lanthanum aluminate polycrystals were synthesized from the 1:1 mixture of aluminum and lanthanum oxide, adding 0.1wt.% carbon and annealed at 1700°C for two hours in hydrogen atmosphere. The X-ray diffraction analysis revealed the formation of rhombohedral LaAlO 3 crystallographic phase, however a small percentage (15%) of Al 2 O 3 has been also identified. The UV-Vis absorbance spectra were obtained and F and F + - center were ascribed. The UV irradiations were carried out using a commercial 8W UV lamp. Thermoluminescence measurements were performed at a Harshaw 4500 TL reader. All compositions investigated have shown high TL sensitivity to UVR. (author)

  20. Carbon doped lanthanum aluminate (LaAlO3:C) synthesized by solid state reaction for application in UV thermoluminescent dosimetry

    International Nuclear Information System (INIS)

    Alves, N.

    2015-01-01

    In this work we discuss the TL output for LaAlO 3 :C crystals grown by using three different combinations of Al 2 O 3 , La 2 O 3 and carbon atoms during the synthesis process. Recently, LaAlO 3 single crystals, co-doped with Ce 3+ and Dy 3+ rare earth trivalent ions and grown under hydrothermal conditions, have been reported to show high thermoluminescent response (TL) when exposed to low levels of ultraviolet radiation (UVR). However, undoped LaAlO 3 synthesized by solid state reaction method from the 1:1 mixture of aluminum and lanthanum oxide under reducing atmosphere revealed to have still higher thermoluminescent sensitivity to UV photon fields than the co-doped with Ce 3+ and Dy 3+ . It is well known that carbon doped aluminum oxide monocrystals have excellent TL and photoluminescent response properties for X-rays, UV and gamma radiation fields. Thus, we conducted three different syntheses of LaAlO 3 by this solid state reaction method, doping the mixture with carbon. The lanthanum aluminate polycrystals were synthesized from the 1:1 mixture of aluminum and lanthanum oxide, adding 0.1wt.% carbon and annealed at 1700°C for two hours in hydrogen atmosphere. The X-ray diffraction analysis revealed the formation of rhombohedral LaAlO 3 crystallographic phase, however a small percentage (15%) of Al 2 O 3 has been also identified. The UV-Vis absorbance spectra were obtained and F and F + - center were ascribed. The UV irradiations were carried out using a commercial 8W UV lamp. Thermoluminescence measurements were performed at a Harshaw 4500 TL reader. All compositions investigated have shown high TL sensitivity to UVR. (author)

  1. Spin-state crossover and low-temperature magnetic state in yttrium-doped Pr0.7Ca0.3CoO3

    Science.gov (United States)

    Knížek, K.; Hejtmánek, J.; Maryško, M.; Novák, P.; Šantavá, E.; Jirák, Z.; Naito, T.; Fujishiro, H.; de la Cruz, Clarina

    2013-12-01

    The structural and magnetic properties of two mixed-valence cobaltites with a formal population of 0.30 Co4+ ions per f.u., (Pr1-yYy)0.7Ca0.3CoO3 (y=0 and 0.15), have been studied down to very low temperatures by means of high-resolution neutron diffraction, SQUID magnetometry, and heat-capacity measurements. The results are interpreted within the scenario of the spin-state crossover from a room-temperature mixture of the intermediate-spin Co3+ and low-spin Co4+ (IS/LS) to the LS/LS mixture in the sample ground states. In contrast to the yttrium-free y=0 that retains the metallic-like character and exhibits ferromagnetic (FM) ordering below 55 K, the doped system y=0.15 undergoes a first-order metal-insulator transition at 132 K, during which not only the crossover to low-spin states but also a partial electron transfer from Pr3+ 4f to cobalt 3d states takes place simultaneously. Taking into account the nonmagnetic character of LS Co3+, such a valence shift electronic transition causes a magnetic dilution, formally to 0.12 LS Co4+ or 0.12 t2g hole spins per f.u., which is the reason for an insulating, highly nonuniform magnetic ground state without long-range order. Nevertheless, even in that case there exists a relatively strong molecular field distributed over all the crystal lattice. It is argued that the spontaneous FM order in y=0 and the existence of strong FM correlations in y=0.15 apparently contradict the single t2g band character of LS/LS phase. The explanation we suggest relies on a model of the defect-induced, itinerant hole-mediated magnetism, where the defects are identified with the magnetic high-spin Co3+ species stabilized near oxygen vacancies.

  2. Surface energies of metals in both liquid and solid states

    International Nuclear Information System (INIS)

    Aqra, Fathi; Ayyad, Ahmed

    2011-01-01

    Although during the last years one has seen a number of systematic studies of the surface energies of metals, the aim and the scientific meaning of this research is to establish a simple and a straightforward theoretical model to calculate accurately the mechanical and the thermodynamic properties of metal surfaces due to their important application in materials processes and in the understanding of a wide range of surface phenomena. Through extensive theoretical calculations of the surface tension of most of the liquid metals, we found that the fraction of broken bonds in liquid metals (f) is constant which is equal to 0.287. Using our estimated f value, the surface tension (γ m ), surface energy (γ SV ), surface excess entropy (-dγ/dT), surface excess enthalpy (H s ), coefficient of thermal expansion (α m and α b ), sound velocity (c m ) and its temperature coefficient (-dc/dT) have been calculated for more than sixty metals. The results of the calculated quantities agree well with available experimental data.

  3. Doping as a means to probe the potential dependence of dopamine adsorption on carbon-based surfaces: A first-principles study

    Science.gov (United States)

    Aarva, Anja; Laurila, Tomi; Caro, Miguel A.

    2017-06-01

    In this work, we study the adsorption characteristics of dopamine (DA), ascorbic acid (AA), and dopaminequinone (DAox) on carbonaceous electrodes. Our goal is to obtain a better understanding of the adsorption behavior of these analytes in order to promote the development of new carbon-based electrode materials for sensitive and selective detection of dopamine in vivo. Here we employ density functional theory-based simulations to reach a level of detail that cannot be achieved experimentally. To get a broader understanding of carbonaceous surfaces with different morphological characteristics, we compare three materials: graphene, diamond, and amorphous carbon (a-C). Effects of solvation on adsorption characteristics are taken into account via a continuum solvent model. Potential changes that take place during electrochemical measurements, such as cyclic voltammetry, can also alter the adsorption behavior. In this study, we have utilized doping as an indirect method to simulate these changes by shifting the work function of the electrode material. We demonstrate that sp2- and sp3-rich materials, as well as a-C, respond markedly different to doping. Also the adsorption behavior of the molecules studied here differs depending on the surface material and the change in the surface potential. In all cases, adsorption is spontaneous, but covalent bonding is not detected in vacuum. The aqueous medium has a large effect on the adsorption behavior of DAox, which reaches its highest adsorption energy on diamond when the potential is shifted to more negative values. In all cases, inclusion of the solvent enhances the charge transfer between the slab and DAox. Largest differences in adsorption energy between DA and AA are obtained on graphene. Gaining better understanding of the behavior of the different forms of carbon when used as electrode materials provides a means to rationalize the observed complex phenomena taking place at the electrodes during electrochemical oxidation

  4. Removal of Cr{sup 6+} from wastewater via adsorption with high-specific-surface-area nitrogen-doped hierarchical porous carbon derived from silkworm cocoon

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Junting; Zhang, Zhengping; Ji, Jing; Dou, Meiling, E-mail: douml@mail.buct.edu.cn; Wang, Feng, E-mail: wangf@mail.buct.edu.cn

    2017-05-31

    Highlights: • The nitrogen-doped hierarchical porous carbon was prepared from silkworm cocoon. • The NHPC possesses a unique porous structure and a high specific surface area. • The NHPC presents superior adsorption performance for Cr (VI). • The NHPC exhibits an excellent recyclability for the removal of Cr (VI). - Abstract: The development of highly efficient adsorbents is an effective way to remove Cr{sup 6+} from wastewater for environment protection. Herein, a high-specific-surface-area nitrogen-doped hierarchical porous carbon (NHPC) derived from silkworm cocoon was synthesized and applied as an efficient adsorbent for the removal of Cr{sup 6+} from wastewater. The resultant NHPC possesses a specific surface area as high as 3134 m{sup 2} g{sup −1} and a unique hierarchical porous structure with a large number of small mesopores (2–4 nm) and micropores (0.8–2 nm) embedded in the sidewall of bowl-like macropores (200–300 nm), in which sufficient exposure of adsorption sites and high-flow transfer of Cr{sup 6+} ions can be achieved. As a result, the NHPC exhibits a remarkable adsorption performance with a larger adsorption capacity (366.3 mg g{sup −1}), a higher adsorption rate (4 × 10{sup −2} g mg{sup −1} min{sup −1}) and a superior recyclability in comparison with the commercial adsorbent (Norit CGP). Thermodynamic and kinetic analyses indicate that the adsorption process is spontaneous and endothermic, which fits well with the pseudo-second-order kinetic model and Langmuir isotherm model. This biomass-based porous carbon with well-defined hierarchical porous structure can be applied as a promising adsorbent for the removal of Cr{sup 6+} from wastewater.

  5. Surface properties of Co-doped BaFe{sub 2}As{sub 2} thin films deposited on MgO with Fe buffer layer and CaF{sub 2} substrates

    Energy Technology Data Exchange (ETDEWEB)

    Sobota, R. [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia); Plecenik, T., E-mail: tomas.plecenik@fmph.uniba.sk [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia); Gregor, M.; Truchly, M.; Satrapinskyy, L.; Vidis, M.; Secianska, K. [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia); Kurth, F.; Holzapfel, B.; Iida, K. [Institute for Metallic Materials, IFW Dresden, PO Box 270116, D-01171 Dresden (Germany); Kus, P.; Plecenik, A. [Department of Experimental Physics, FMPI, Comenius University, 842 48 Bratislava (Slovakia)

    2014-09-01

    Highlights: • Surfaces of Co-doped Ba-122 films on various substrates were studied. • Substrate influences topography and surface conductivity distribution of the films. • Surface conductivity of Co-doped Ba-122 is highly inhomogeneous. • Point contact spectroscopy results can be affected by the surface differences. - Abstract: Surface properties of Co-doped BaFe{sub 2}As{sub 2} (Ba-122) thin films prepared by pulsed laser deposition on MgO with Fe buffer layer and CaF{sub 2} substrates were inspected by atomic force microscopy, scanning spreading resistance microscopy, scanning tunneling microscopy, X-ray photoelectron spectroscopy, auger electron spectroscopy/microscopy and point contact spectroscopy (PCS). Selected PCS spectra were fitted by extended 1D BTK model. The measurements were done on as-received as well as ion beam etched surfaces. Our results show that the substrate is considerably influencing the surface properties of the films, particularly the topography and surface conductivity distribution, what can affect results obtained by surface-sensitive techniques like PCS.

  6. Development of natively textured surface hydrogenated Ga-doped ZnO-TCO thin films for solar cells via magnetron sputtering

    International Nuclear Information System (INIS)

    Wang, Fei; Chen, Xin-liang; Geng, Xin-hua; Zhang, De-kun; Wei, Chang-chun; Huang, Qian; Zhang, Xiao-dan; Zhao, Ying

    2012-01-01

    Highlights: ► Natively textured surface hydrogenated gallium-doped zinc oxide (HGZO) thin films have been deposited via magnetron sputtering on glass substrates. ► The directly deposited HGZO thin films present rough crater-type surface morphology. ► Typical HGZO thin film exhibits a high electron mobility of 41.3 cm 2 /V s and a relative low sheet resistance of ∼7.0 Ω. ► These HGZO thin films have high optical transmittances in the visible and near infrared region (∼380–1100 nm). ► A gradient H 2 growth method for fabricating HGZO thin films has been proposed in magnetron sputtering process. - Abstract: The main purposes are to obtain high quality transparent conductive oxide (TCO) based on zinc oxide (ZnO) thin films with high optical transparency in the visible and near infrared spectral range, high electrical conductivity and good light-scattering capability to enhance the path of the light inside the Si-based thin film solar cells. Natively textured surface hydrogenated gallium-doped ZnO (HGZO) thin films have been deposited via pulsed direct current (DC) magnetron sputtering on glass substrates at a substrate temperature of 553 K. These natively textured HGZO thin films exhibit high optical transmittance (over 80%) in the visible and near infrared region (λ = 380–1100 nm) and excellent electrical properties. The optimized HGZO thin film with crater-type textured surface obtained at the hydrogen flow rate of ∼2.0 sccm exhibits a high electron mobility of 41.3 cm 2 /V s and a relatively low sheet resistance of ∼7.0 Ω. The influences of hydrogen flow rates on the surface morphology, electrical and optical properties of HGZO thin films were investigated in detail. In addition, we put forward a method of gradient H 2 growth technique for fabricating HGZO thin films so as to obtain rough surface structure with good light-scattering capability and high electrical conductivity. “Crater-like” surface feature size and optical transmittance

  7. N- and S-doped high surface area carbon derived from soya chunks as scalable and efficient electrocatalysts for oxygen reduction

    Science.gov (United States)

    Rana, Moumita; Arora, Gunjan; Gautam, Ujjal K.

    2015-02-01

    Highly stable, cost-effective electrocatalysts facilitating oxygen reduction are crucial for the commercialization of membrane-based fuel cell and battery technologies. Herein, we demonstrate that protein-rich soya chunks with a high content of N, S and P atoms are an excellent precursor for heteroatom-doped highly graphitized carbon materials. The materials are nanoporous, with a surface area exceeding 1000 m2 g-1, and they are tunable in doping quantities. These materials exhibit highly efficient catalytic performance toward oxygen reduction reaction (ORR) with an onset potential of -0.045 V and a half-wave potential of -0.211 V (versus a saturated calomel electrode) in a basic medium, which is comparable to commercial Pt catalysts and is better than other recently developed metal-free carbon-based catalysts. These exhibit complete methanol tolerance and a performance degradation of merely ˜5% as compared to ˜14% for a commercial Pt/C catalyst after continuous use for 3000 s at the highest reduction current. We found that the fraction of graphitic N increases at a higher graphitization temperature, leading to the near complete reduction of oxygen. It is believed that due to the easy availability of the precursor and the possibility of genetic engineering to homogeneously control the heteroatom distribution, the synthetic strategy is easily scalable, with further improvement in performance.

  8. Synthesis of Sub-2 nm Iron-Doped NiSe2 Nanowires and Their Surface-Confined Oxidation for Oxygen Evolution Catalysis.

    Science.gov (United States)

    Gu, Chao; Hu, Shaojin; Zheng, Xusheng; Gao, Min-Rui; Zheng, Ya-Rong; Shi, Lei; Gao, Qiang; Zheng, Xiao; Chu, Wangsheng; Yao, Hong-Bin; Zhu, Junfa; Yu, Shu-Hong

    2018-04-03

    Ultrathin nanostructures are attractive for diverse applications owing to their unique properties compared to their bulk materials. Transition-metal chalcogenides are promising electrocatalysts, yet it remains difficult to make ultrathin structures (sub-2 nm), and the realization of their chemical doping is even more challenging. Herein we describe a soft-template mediated colloidal synthesis of Fe-doped NiSe 2 ultrathin nanowires (UNWs) with diameter down to 1.7 nm. The synergistic interplay between oleylamine and 1-dodecanethiol is crucial to yield these UNWs. The in situ formed amorphous hydroxide layers that is confined to the surface of the ultrathin scaffolds enable efficient oxygen evolution electrocatalysis. The UNWs exhibit a very low overpotential of 268 mV at 10 mA cm -2 in 0.1 m KOH, as well as remarkable long-term stability, representing one of the most efficient noble-metal-free catalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Optimization of photocatalytic degradation of methyl blue using silver ion doped titanium dioxide by combination of experimental design and response surface approach.

    Science.gov (United States)

    Sahoo, C; Gupta, A K

    2012-05-15

    Photocatalytic degradation of methyl blue (MYB) was studied using Ag(+) doped TiO(2) under UV irradiation in a batch reactor. Catalytic dose, initial concentration of dye and pH of the reaction mixture were found to influence the degradation process most. The degradation was found to be effective in the range catalytic dose (0.5-1.5g/L), initial dye concentration (25-100ppm) and pH of reaction mixture (5-9). Using the three factors three levels Box-Behnken design of experiment technique 15 sets of experiments were designed considering the effective ranges of the influential parameters. The results of the experiments were fitted to two quadratic polynomial models developed using response surface methodology (RSM), representing functional relationship between the decolorization and mineralization of MYB and the experimental parameters. Design Expert software version 8.0.6.1 was used to optimize the effects of the experimental parameters on the responses. The optimum values of the parameters were dose of Ag(+) doped TiO(2) 0.99g/L, initial concentration of MYB 57.68ppm and pH of reaction mixture 7.76. Under the optimal condition the predicted decolorization and mineralization rate of MYB were 95.97% and 80.33%, respectively. Regression analysis with R(2) values >0.99 showed goodness of fit of the experimental results with predicted values. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. On the state of Mn in Mn{sub x}Zn{sub 1−x}O nanoparticles and their surface modification with isonipecotic acid

    Energy Technology Data Exchange (ETDEWEB)

    Jiménez-Hernández, L.; Estévez-Hernández, O. [Instituto Politécnico Nacional, Centro de Investigación en Ciencia Aplicada y Tecnología de Avanzada, Unidad Legaria, Ciudad México, México (Mexico); Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana (Cuba); Hernández, M.P. [Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana (Cuba); Universidad Nacional Autónoma de México (UNAM), Centro de Nanociencias y Nanotecnología (CNyN), Ensenada, Baja California, México (Mexico); Díaz, J.A.; Farías, M.F. [Universidad Nacional Autónoma de México (UNAM), Centro de Nanociencias y Nanotecnología (CNyN), Ensenada, Baja California, México (Mexico); Reguera, E., E-mail: edilso.reguera@gmail.com [Instituto Politécnico Nacional, Centro de Investigación en Ciencia Aplicada y Tecnología de Avanzada, Unidad Legaria, Ciudad México, México (Mexico)

    2017-03-15

    Mn-doped ZnO (Mn{sub x}Zn{sub 1−x}O) nanoparticles were synthesized by the co-precipitation method and coated with isonipecotic acid as capping ligand. The structure, composition and morphology of the resulting nanomaterial were investigated by energy disperse X-ray analysis, X-ray diffraction, and transmission electron microscopy data. Such measurements showed that the solid obtained contains 6 at% of Mn and it is formed by a highly crystalline material with 3–5 nm range of crystallite size, and only a small elongation of its cell parameter with respect to undoped ZnO wurtzite unit cell. Information on the state of manganese atom in the Mn{sub x}Zn{sub 1−x}O nanostructures formed was obtained from X-ray photoelectron (XPS) and electron energy loss (EELS) spectroscopies. XPS and EELS spectra are composed of four peaks, corresponding to two species of Mn(II) and signals from Mn(III) and Mn(IV). Such spectral data on the state of Mn in the material studied is consistent with the mapping of Mn distribution observed in recorded transmission electron microscopy images, which reveal presence of clusters of Mn atoms. Only a fraction of doping Mn atoms were found forming a solid solution with the host ZnO structure. The functionalization of the nanoparticles system with Isonipecotic acid shows that this molecule remains anchored to the nanoparticles surface mainly through its N basic site. The availability of free carboxylate groups in the capping molecule was tested by conjugation to type IV horseradish peroxidase. - Graphical abstract: State of Mn atoms in Mn-doped ZnO nanostructures prepared by the precipitation method, their capping with isonipecotic acid and subsequent conjugation to peroxidase. - Highlights: • State of manganese in manganese-doped zinc oxide nanoparticles. • Isonipecotic acid as surface modifier of ZnO nanoparticles. • Peroxidase conjugation to ZnO nanoparticles modified with isonipecotic acid.

  11. Formation of Ti(III) and Ti(IV) states in Ti{sub 3}O{sub 5} nano- and microfibers obtained from hydrothermal annealing of C-doped TiO{sub 2} on Si

    Energy Technology Data Exchange (ETDEWEB)

    Stem, Nair, E-mail: nairstem@hotmail.com [Laboratório de Sistemas Integráveis (LSI), Escola Politécnica, Universidade de São Paulo, Av. Prof. Luciano Gualberto 158, 05508900 São Paulo, SP (Brazil); Souza, Michele L.; Araújo de Faria, Dalva Lúcia Araújo [Laboratório de Espectroscopia Molecular (LEM), Instituto de Química, Universidade de São Paulo, Av. Prof. Lineu Prestes 748, 05508900 São Paulo, SP (Brazil); Santos Filho, Sebastião G. dos [Laboratório de Sistemas Integráveis (LSI), Escola Politécnica, Universidade de São Paulo, Av. Prof. Luciano Gualberto 158, 05508900 São Paulo, SP (Brazil)

    2014-05-02

    In this work, it is investigated the formation of Ti(III) and Ti(IV) states at the surface and in the bulk of the Ti{sub 3}O{sub 5} material grown as meshes of nano- and micro-fibers obtained from hydrothermal annealing of C-doped TiO{sub 2} on Si. The topography and distribution of the fibers in the meshes were characterized by atomic force microscopy. When the fiber distribution was more compact, a higher photoluminescence signal at 850 nm (1.46 eV) was obtained, indicating the presence of a higher number of defects corresponding to the Ti(III) sites. From X-ray photoelectron spectroscopy, it was obtained a Ti(III)/Ti(IV) ratio much lower than the expected value for the Ti{sub 3}O{sub 5} phase (2 Ti(III): 1 Ti(IV)). The discrepancy was mainly attributed to the reaction of surface Ti(III) states of the Ti{sub 3}O{sub 5} fibers with water during the hydrothermal annealing, resulting in surface Ti(IV) with -OH radicals. On the other hand, X-ray photoelectron spectroscopy also indicated that substitutional and interstitial carbon atoms coexist, elemental carbon exists in the samples due to the co-deposition process and, as a result, the carbon inside of the TiO{sub 2} rutile lattice is acting as one of the precursors for the formation of Ti{sub 3}O{sub 5}. - Highlights: • Ti(III) states are detected inside of Ti{sub 3}O{sub 5} nano- and microfibers. • Ti(IV) states are predominantly detected on the surface of Ti{sub 3}O{sub 5} nano- and microfibers. • Photoluminescence at 850 nm for Ti{sub 3}O{sub 5} is due to defects associated to Ti(III). • Rutile possibly changes to C2/m Ti{sub 3}O{sub 5} during the hydrothermal annealing of C-doped TiO{sub 2}.

  12. Effect of surface states on the electrochemical behaviour of single crystal n-ZnSe photoelectrode

    International Nuclear Information System (INIS)

    El-Dessouki, M.S.

    1987-10-01

    Surface Photovoltage Spectroscopy (SPS) technique has been used to detect the surface states of ZnSe (110) surfaces. Aqueous electrolyte/ZnSe junction has been electrochemically investigated in dark and under illumination. The effect of surface states on the kinetics of charge transfer through the semiconductor-electrolyte (S/E) junction has been discussed. The low leakage and photocurrents measured by the application of DC bias were referred to the blocking nature of S/E interface, in which the localized and induced surface states play an important role. (author). 19 refs, 4 figs

  13. Unoccupied Surface State on Ag(110) as Revealed by Inverse Photoemission

    Science.gov (United States)

    Reihl, B.; Schlittler, R. R.; Neff, H.

    1984-05-01

    By use of the new technique of k-resolved inverse photoemission spectroscopy, an unoccupied s-like surface state on Ag(110) has been detected, which lies within the projected L2'-->L1 gap of the bulk. At the X¯ point of the surface Brillouin zone, the energy of the surface state is 1.65 eV above the Fermi level EF, and exhibits a band dispersion E(k∥) towards higher energies. The surface-state emission is immediately quenched when the surface is exposed to very small amounts of oxygen or hydrogen.

  14. Spin-resolved photoemission of surface states of W(110)-(1x1)H

    International Nuclear Information System (INIS)

    Hochstrasser, M.; Tobin, J.G.; Rotenberg, Eli; Kevan, S.D.

    2002-01-01

    The surface electronic states of W(110)-(1x1)H have been measured using spin- and angle-resolved photoemission. We directly demonstrate that the surface bands are both split and spin-polarized by the spin-orbit interaction in association with the loss of inversion symmetry near a surface. We observe 100 percent spin polarization of the surface states, with the spins aligned in the plane of the surface and oriented in a circular fashion relative to the S-bar symmetry point. In contrast, no measurable polarization of nearby bulk states is observed

  15. State of the art: Asphalt for airport pavement surfacing

    Directory of Open Access Journals (Sweden)

    Greg White

    2018-01-01

    Full Text Available Airport runways and taxiways are commonly comprised of a flexible pavement with an asphalt surface. Marshall-designed asphalt with sawn grooves is the most frequent airport asphalt surface material. However, some airports have adopted alternate asphalt mixtures for improved resistance to shear stress and for increased surface texture, allowing grooving to be avoided. Of the alternate asphalt mixtures, stone mastic asphalt is the most commonly reported. Resistance to shear stress is a critical performance requirement for airport surface asphalt. Shear stress resistance minimises the risk of rutting, shoving and groove closure. However, fracture resistance must not be ignored when developing even more shear resistance asphalt mixtures. Significant distress in airport asphalt surfaces, compliant with the traditional prescriptive specification, has increased interest in a performance-based airport asphalt specification. Commonly reported distresses include groove closure in slow moving aircraft areas and shearing in heavy aircraft braking zones. Development of reliable performance-indicative test methods is expected in the future and will enable warranted performance-based asphalt mixture design for airport surfaces. Keywords: Airport, Pavement, Asphalt, Surface

  16. The effect of intentional potassium co-doping on the luminescent properties of Yb3+ and Tm3+ doped α-NaYF4 core and core–shell nanoparticles

    International Nuclear Information System (INIS)

    Misiak, Małgorzata; Stręk, Wiesław; Arabasz, Sebastian; Bednarkiewicz, Artur

    2016-01-01

    Simple and effective ways to circumvent limited luminescence efficiency of up-converting nanoparticles (UCNPs) are sought. One of the methods relays on distorting the crystallographic structure of host material by co-doping the nanocrystals with optically inactive co-dopants. Here we study the influence of K + doping and surface passivation on the up-converting properties of the α-NaYF 4 nanocrystals co-doped with 20% Yb 3+ and 0.1 or 2% Tm 3+ . The intentionally chosen concentrations of K + ions, which were meant to replaced sodium ions were fixed to 0, 5, 10, 20 to 30%. Potassium ions modified the spectroscopic properties of both core and core–shell NPs, but the differences were noticed between samples doped with 0.1% Tm 3+ and 2% Tm 3+ ions. Replacement of sodium by potassium ions decreased up-conversion luminescence intensity as well as shortened thulium excited states lifetimes in the samples doped with 0.1% Tm 3+ , while the opposite behavior was found in the samples co-doped with higher 2% thulium concentration. - Highlights: • We studied the influence of K + doping on luminescent properties of α-NaYF 4 :YbTm. • The 0.1 and 2% Tm doped core and core–shell samples were investigated. • K + -doping influence on UC properties was different in low and highly Tm doped NPs. • The explanations of the observed variations were proposed.

  17. The current state of bearing surfaces in total hip replacement.

    Science.gov (United States)

    Rajpura, A; Kendoff, D; Board, T N

    2014-02-01

    We reviewed the literature on the currently available choices of bearing surface in total hip replacement (THR). We present a detailed description of the properties of articulating surfaces review the understanding of the advantages and disadvantages of existing bearing couples. Recent technological developments in the field of polyethylene and ceramics have altered the risk of fracture and the rate of wear, although the use of metal-on-metal bearings has largely fallen out of favour, owing to concerns about reactions to metal debris. As expected, all bearing surface combinations have advantages and disadvantages. A patient-based approach is recommended, balancing the risks of different options against an individual's functional demands.

  18. Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers

    DEFF Research Database (Denmark)

    Nuermaimaiti, Ajiguli; Schultz-Falk, Vickie; Lind Cramer, Jacob

    2016-01-01

    Self-assembly of a molecule with many distinct conformational states, resulting in eight possible pairs of surface enantiomers, is investigated on a Au(111) surface under UHV conditions. The complex molecule is equipped with alkyl and carboxyl moieties to promote controlled self-assembly of lamel......Self-assembly of a molecule with many distinct conformational states, resulting in eight possible pairs of surface enantiomers, is investigated on a Au(111) surface under UHV conditions. The complex molecule is equipped with alkyl and carboxyl moieties to promote controlled self......-assembly of lamellae structures. From statistical analysis of Scanning Tunnelling Microscopy (STM) data we observe a clear selection of specific conformational states after self-assembly. Using Density Functional Theory (DFT) calculations we rationalise how this selection is correlated to the orientation of the alkyl...

  19. A Surface-Mounted Rotor State Sensing System, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A surface-mounted instrumentation system for measuring rotor blade motions on rotorcraft, for use both in flight and in wind tunnel testing, is proposed for...

  20. Topological surface states of Bi{sub 2}Te{sub 2}Se are robust against surface chemical modification

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Conor R.; Sahasrabudhe, Girija; Kushwaha, Satya Kumar; Cava, Robert J.; Schwartz, Jeffrey [Department of Chemistry, Princeton University, Princeton, NJ (United States); Xiong, Jun [Department of Physics, Princeton University, Princeton, NJ (United States)

    2014-12-01

    The robustness of the Dirac-like electronic states on the surfaces of topological insulators (TIs) during materials process-ing is a prerequisite for their eventual device application. Here, the (001) cleavage surfaces of crystals of the topological insulator Bi{sub 2}Te{sub 2}Se (BTS) were subjected to several surface chemical modification procedures that are common for electronic materials. Through measurement of Shubnikov-de Hass (SdH) oscillations, which are the most sensitive measure of their quality, the surface states of the treated surfaces were compared to those of pristine BTS that had been exposed to ambient conditions. In each case - surface oxidation, deposition of thin layers of Ti or Zr oxides, or chemical modification of the surface oxides - the robustness of the topological surface electronic states was demonstrated by noting only very small changes in the frequency and amplitude of the SdH oscillations. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111 Surface

    Directory of Open Access Journals (Sweden)

    Igor V. Silkin

    2017-12-01

    Full Text Available The electronic structure of the Pt/Au(111 heterostructures with a number of Pt monolayers n ranging from one to three is studied in the density-functional-theory framework. The calculations demonstrate that the deposition of the Pt atomic thin films on gold substrate results in strong modifications of the electronic structure at the surface. In particular, the Au(111 s-p-type Shockley surface state becomes completely unoccupied at deposition of any number of Pt monolayers. The Pt adlayer generates numerous quantum-well states in various energy gaps of Au(111 with strong spatial confinement at the surface. As a result, strong enhancement in the local density of state at the surface Pt atomic layer in comparison with clean Pt surface is obtained. The excess in the density of states has maximal magnitude in the case of one monolayer Pt adlayer and gradually reduces with increasing number of Pt atomic layers. The spin–orbit coupling produces strong modification of the energy dispersion of the electronic states generated by the Pt adlayer and gives rise to certain quantum states with a characteristic Dirac-cone shape.

  2. Synthesis of calcium-phosphorous doped TiO{sub 2} nanotubes by anodization and reverse polarization: A promising strategy for an efficient biofunctional implant surface

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Sofia A., E-mail: sofiafonso@msn.com [CMEMS – Center of MicroElectroMechanical Systems, Department of Mechanical Engineering, University of Minho, 4800-058 Guimarães (Portugal); IBTN/US – American Branch of the Institute of Biomaterials, Tribocorrosion and Nanomedicine, UIC College of Dentistry, 60612 Chicago, IL (United States); Patel, Sweetu B. [IBTN/US – American Branch of the Institute of Biomaterials, Tribocorrosion and Nanomedicine, UIC College of Dentistry, 60612 Chicago, IL (United States); Department of Mechanical Engineering, Michigan Technological University, 49931 Houghton, MI (United States); Sukotjo, Cortino [IBTN/US – American Branch of the Institute of Biomaterials, Tribocorrosion and Nanomedicine, UIC College of Dentistry, 60612 Chicago, IL (United States); Departmenmt of Restorative Dentistry, University of Illinois at Chicago, 60612 Chicago, IL (United States); Mathew, Mathew T. [IBTN/US – American Branch of the Institute of Biomaterials, Tribocorrosion and Nanomedicine, UIC College of Dentistry, 60612 Chicago, IL (United States); Department of Orthopedic Surgery, Rush University Medical Center, 60612 Chicago, IL (United States); Department of Biomedical Science, UIC School of Medicine at Rockford, 61107 Rockford, IL (United States); Filho, Paulo N. [IBTN/Br – Brazilian Branch of the Institute of Biomaterials, Tribocorrosion and Nanomedicine, UNESP – Universidade Estadual Paulista, Faculdade de Ciências, 17033-360 Bauru, São Paulo (Brazil); Faculdade de Ciências, Departamento de Física, UNESP - Universidade Estadual Paulista, 17033-360 Bauru, São Paulo (Brazil); Celis, Jean-Pierre [Department of Materials Engineering, KU Leuven, 3001 Leuven (Belgium); and others

    2017-03-31

    Highlights: • A new surface modification methodology for bio-functionalization of TiO2 NTs is addressed • Bone-like structured TiO2 nanotubular surfaces containing Ca and P were synthesized. • Ca/P-doped TiO2 NTs enhanced adhesion and proliferation of osteoblastic-like cells. • The bio-functionalization granted improved bio-electrochemical stability to TiO2 NTs. - Abstract: The modification of surface features such as nano-morphology/topography and chemistry have been employed in the attempt to design titanium oxide surfaces able to overcome the current dental implants failures. The main goal of this study is the synthesis of bone-like structured titanium dioxide (TiO{sub 2}) nanotubes enriched with Calcium (Ca) and Phosphorous (P) able to enhance osteoblastic cell functions and, simultaneously, display an improved corrosion behavior. To achieve the main goal, TiO{sub 2} nanotubes were synthetized and doped with Ca and P by means of a novel methodology which relied, firstly, on the synthesis of TiO{sub 2} nanotubes by anodization of titanium in an organic electrolyte followed by reverse polarization and/or anodization, in an aqueous electrolyte. Results show that hydrophilic bone-like structured TiO{sub 2} nanotubes were successfully synthesized presenting a highly ordered nano-morphology characterized by non-uniform diameters. The chemical analysis of such nanotubes confirmed the presence of CaCO{sub 3}, Ca{sub 3}(PO{sub 4}){sub 2}, CaHPO{sub 4} and CaO compounds. The nanotube surfaces submitted to reverse polarization, presented an improved cell adhesion and proliferation compared to smooth titanium. Furthermore, these surfaces displayed a significantly lower passive current in artificial saliva, and so, potential to minimize their bio-degradation through corrosion processes. This study addresses a very simple and promising multidisciplinary approach bringing new insights for the development of novel methodologies to improve the outcome of osseointegrated

  3. Hierarchical nitrogen-doped porous carbon with high surface area derived from endothelium corneum gigeriae galli for high-performance supercapacitor

    International Nuclear Information System (INIS)

    Hong, Xiaoting; Hui, K.S.; Zeng, Zhi; Hui, K.N.; Zhang, Luojiang; Mo, Mingyue; Li, Min

    2014-01-01

    Highlights: • Porous carbons were prepared using endothelium corneum gigeriae galli as precursor. • Surface and structural properties strongly depend on carbonization temperatures. • Resultant carbons possess nitrogen heteroatom and high surface areas. • ECGG-900 sample exhibits excellent electrochemical capacitive performances. - Abstract: Endothelium corneum gigeriae galli derived 3D hierarchical nitrogen-doped porous carbon was for the first time prepared by preliminary carbonization at 450 °C and final KOH activation at high temperatures. The surface and structural properties of the as-synthesized samples are analyzed with Brunauer–Emmett–Teller surface analyzer apparatus, X-Ray Diffractometer, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectrometer. The electrochemical performances are analyzed by cyclic voltammetry, galvanostatic charge/discharge cycling and electrochemical impedance spectroscopy. The obtained results show that the sample carbonized at 900 °C possesses the SSA of 2149.9 m 2 g −1 , average micropore diameter of 1.78 nm, and exhibits the highest initial specific capacitance of 198.0 F g −1 at current density of 1 A g −1 in 6 M KOH solution. It retains good specific capacitance retention of 91.6% after 3000 charge/discharge cycles at current density of 2 A g −1

  4. One-dimensional versus two-dimensional electronic states in vicinal surfaces

    International Nuclear Information System (INIS)

    Ortega, J E; Ruiz-Oses, M; Cordon, J; Mugarza, A; Kuntze, J; Schiller, F

    2005-01-01

    Vicinal surfaces with periodic arrays of steps are among the simplest lateral nanostructures. In particular, noble metal surfaces vicinal to the (1 1 1) plane are excellent test systems to explore the basic electronic properties in one-dimensional superlattices by means of angular photoemission. These surfaces are characterized by strong emissions from free-electron-like surface states that scatter at step edges. Thereby, the two-dimensional surface state displays superlattice band folding and, depending on the step lattice constant d, it splits into one-dimensional quantum well levels. Here we use high-resolution, angle-resolved photoemission to analyse surface states in a variety of samples, in trying to illustrate the changes in surface state bands as a function of d

  5. Thermoelectric Transport by Surface States in Bi2Se3-Based Topological Insulator Thin Films

    International Nuclear Information System (INIS)

    Li Long-Long; Xu Wen

    2015-01-01

    We develop a tractable theoretical model to investigate the thermoelectric (TE) transport properties of surface states in topological insulator thin films (TITFs) of Bi 2 Se 3 at room temperature. The hybridization between top and bottom surface states in the TITF plays a significant role. With the increasing hybridization-induced surface gap, the electrical conductivity and electron thermal conductivity decrease while the Seebeck coefficient increases. This is due to the metal-semiconductor transition induced by the surface-state hybridization. Based on these TE transport coefficients, the TE figure-of-merit ZT is evaluated. It is shown that ZT can be greatly improved by the surface-state hybridization. Our theoretical results are pertinent to the exploration of the TE transport properties of surface states in TITFs and to the potential application of Bi 2 Se 3 -based TITFs as high-performance TE materials and devices. (paper)

  6. Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves

    International Nuclear Information System (INIS)

    Thurber, Kent R.; Tycko, Robert

    2014-01-01

    We report solid state 13 C and 1 H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, 1 H and cross-polarized 13 C NMR signals from 15 N, 13 C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T 1e is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations

  7. Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves.

    Science.gov (United States)

    Thurber, Kent R; Tycko, Robert

    2014-05-14

    We report solid state (13)C and (1)H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, (1)H and cross-polarized (13)C NMR signals from (15)N,(13)C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T1e is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations.