Synthesis of Cu and Ce co-doped ZnO nanoparticles: crystallographic, optical, molecular, morphological and magnetic studies

Directory of Open Access Journals (Sweden)

Rawat Mohit

2017-07-01

Full Text Available In the present research work, crystallographic, optical, molecular, morphological and magnetic properties of Zn1-xCuxO (ZnCu and Zn1-x-yCeyCuxO (ZnCeCu nanoparticles have been investigated. Polyvinyl alcohol (PVA coated ZnCu and ZnCeCu nanoparticles have been synthesized by chemical sol-gel method and thoroughly studied using various characterization techniques. X-ray diffraction pattern indicates the wurtzite structure of the synthesized ZnCu and ZnCeCu particles. Transmission electron microscopy analysis shows that the synthesized ZnCu and ZnCeCu particles are of spherical shape, having average sizes of 27 nm and 23 nm, respectively. The incorporation of Cu and Ce in the ZnO lattice has been confirmed through Fourier transform infrared spectroscopy. Room temperature photoluminescence spectra of the ZnO doped with Cu and co-doped Ce display two emission bands, predominant ultra-violet near-band edge emission at 409.9 nm (3 eV and a weak green-yellow emission at 432.65 nm (2.27 eV. Room temperature magnetic study confirms the diamagnetic behavior of ZnCu and ferromagnetic behavior of ZnCeCu.

Optical-limiting response of rare-earth metallo-phthalocyanine-doped copolymer matrix

NARCIS (Netherlands)

Aneeshkumar, B.N.; Gopinath, P.; Vallabhan, C.P.G.; Nampoori, V.P.N.; Radhakrishnan, P.; Thomas, J.

2003-01-01

The nanosecond optical-limiting characteristics (at 532 nm) of some rare-earth metallo-phthalocyanines (Sm(Pc)2, Eu(Pc)2, and LaPc) doped in a copolymer matrix of poly(Me methacrylate) and Me-2-cyanoacrylate were studied for the 1st time to the authors' knowledge. The optical-limiting response is

Manipulating individual dichlorotin phthalocyanine molecules on Cu(100) surface at room temperature by scanning tunneling microscopy

International Nuclear Information System (INIS)

Li, Chao; Xiang, Feifei; Wang, Zhongping; Liu, Xiaoqing; Jiang, Danfeng; Wang, Li; Wang, Guang; Zhang, Xueao; Chen, Wei

2014-01-01

Single molecule manipulations have been achieved on dichlorotin phthalocyanine(SnCl 2 Pc) molecules adsorbed on Cu (100) at room temperature. Scanning tunneling microscopy observations directly demonstrate that the individual SnCl 2 Pc molecules can be moved along the [100] direction on Cu(100) surface by employing a scanning tunneling microscope tip fixed at the special position of the molecules. The orientation of the molecule can be switched between two angles of ±28° with respect to the [011] surface direction in the same way. Dependences of the probability of molecular motion on the distances between the tip and the molecules reveal that the mechanism for such manipulation of a SnCl 2 Pc molecule is dominated by the repulsive interactions between the tip and the molecules. With the assistance of this manipulation process, a prototype molecular storage array with molecular orientation as information carrier and an artificial hydrogen bonded supramolecular structure have been constructed on the surface. (paper)

Adsorption of Cu phthalocyanine on Pt modified Ge(001): A scanning tunneling microscopy study

NARCIS (Netherlands)

Saedi, A.; Berkelaar, Robin P.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Henricus J.W.

2010-01-01

The adsorption configurations of copper phthalocyanine (CuPc) molecules on platinum-modified Ge(001) have been studied using scanning tunneling microscopy. After deposition at room temperature and cooling down to 77 K the CuPc molecules are still dynamic. However, after annealing at 550±50 K, the

Electrical Properties of Zn-Phthalocyanine and Poly (3-hexylthiophene Doped Nematic Liquid Crystal

Directory of Open Access Journals (Sweden)

Y. Karakuş

2011-01-01

Full Text Available An E7 coded nematic liquid crystal was doped with zinc phthalocyanine and poly (3-hexylthiophene. A variety of properties including relaxation time, absorption coefficient, and critical frequency of this doped system were investigated using impedance spectroscopy. The doped systems displayed increased absorption coefficients in the range 0.22–0.55 and relaxation times from 5.05×10−7 s to 3.59×10−6 s with a decrease in the critical frequency from 3.54 MHz to 2.048 MHz.

Control of in-plane orientation of phthalocyanine molecular columns using vicinal Si(001)-(2x1)-H

International Nuclear Information System (INIS)

Nakamura, Masakazu; Matsunobe, Takeshi; Tokumoto, Hiroshi

2001-01-01

In-plane crystal orientation of copper phthalocyanine (CuPc) films formed by organic molecular-beam epitaxy have been successfully controlled by using vicinal Si(001)-(2x1)-H as a substrate, containing atomic steps of an approximately 4 nm period. A continuous film was grown at 60 degree C and the film thickness ranged between 5 and 8 molecular layers. By observing a frictional force image of the film, 90% of the molecular columns were found to align across the substrate step rows. The preferential orientation is considered to be induced by artificial surface lattices, which result from the striped effective contact area between the rigid CuPc crystals and the stair-like surfaces. The anisotropic optical properties of the film have been also confirmed by polarized reflection measurements. [copyright] 2001 American Institute of Physics

Off-Center Rotation of CuPc Molecular Rotor on a Bi(111) Surface and the Chiral Feature.

Science.gov (United States)

Sun, Kai; Tao, Min-Long; Tu, Yu-Bing; Wang, Jun-Zhong

2017-05-04

Molecular rotors with an off-center axis and the chiral feature of achiral CuPc molecules on a semi-metallic Bi(111) surface have been investigated by means of a scanning tunneling microscopy (STM) at liquid nitrogen (LN₂) temperature. The rotation axis of each CuPc molecular rotor is located at the end of a phthalocyanine group. As molecular coverage increases, the CuPc molecules are self-assembled into various nanoclusters and finally into two-dimensional (2D) domains, in which each CuPc molecule exhibits an apparent chiral feature. Such chiral features of the CuPc molecules can be attributed to the combined effect of asymmetric charge transfer between the CuPc and Bi(111) substrate, and the intermolecular van der Waals interactions.

Self-Assembled Formation of Well-Aligned Cu-Te Nano-Rods on Heavily Cu-Doped ZnTe Thin Films

Science.gov (United States)

Liang, Jing; Cheng, Man Kit; Lai, Ying Hoi; Wei, Guanglu; Yang, Sean Derman; Wang, Gan; Ho, Sut Kam; Tam, Kam Weng; Sou, Iam Keong

2016-11-01

Cu doping of ZnTe, which is an important semiconductor for various optoelectronic applications, has been successfully achieved previously by several techniques. However, besides its electrical transport characteristics, other physical and chemical properties of heavily Cu-doped ZnTe have not been reported. We found an interesting self-assembled formation of crystalline well-aligned Cu-Te nano-rods near the surface of heavily Cu-doped ZnTe thin films grown via the molecular beam epitaxy technique. A phenomenological growth model is presented based on the observed crystallographic morphology and measured chemical composition of the nano-rods using various imaging and chemical analysis techniques. When substitutional doping reaches its limit, the extra Cu atoms favor an up-migration toward the surface, leading to a one-dimensional surface modulation and formation of Cu-Te nano-rods, which explain unusual observations on the reflection high energy electron diffraction patterns and apparent resistivity of these thin films. This study provides an insight into some unexpected chemical reactions involved in the heavily Cu-doped ZnTe thin films, which may be applied to other material systems that contain a dopant having strong reactivity with the host matrix.

Ordering of Zn-centered porphyrin and phthalocyanine on TiO2(011: STM studies

Directory of Open Access Journals (Sweden)

Piotr Olszowski

2017-01-01

Full Text Available Zn(IIphthalocyanine molecules (ZnPc were thermally deposited on a rutile TiO2(011 surface and on Zn(IImeso-tetraphenylporphyrin (ZnTPP wetting layers at room temperature and after elevated temperature thermal processing. The molecular homo- and heterostructures were characterized by high-resolution scanning tunneling microscopy (STM at room temperature and their geometrical arrangement and degree of ordering are compared with the previously studied copper phthalocyanine (CuPc and ZnTPP heterostructures. It was found that the central metal atom may play some role in ordering and growth of phthalocyanine/ZnTPP heterostructures, causing differences in stability of upright standing ZnPc versus CuPc molecular chains at given thermal annealing conditions.

The properties of samarium-doped zinc oxide/phthalocyanine structure for optoelectronics prepared by pulsed laser deposition and organic molecular evaporation

Czech Academy of Sciences Publication Activity Database

Novotný, Michal; Marešová, Eva; Fitl, Přemysl; Vlček, Jan; Bergmann, M.; Vondráček, Martin; Yatskiv, Roman; Bulíř, Jiří; Hubík, Pavel; Hruška, Petr; Drahokoupil, Jan; Abdellaoui, N.; Vrňata, M.; Lančok, Ján

2016-01-01

Roč. 122, č. 3 (2016), 1-8, č. článku 225. ISSN 0947-8396 R&D Projects: GA MŠk(CZ) LG15050; GA ČR(CZ) GAP108/11/0958; GA MŠk(CZ) LM2011029; GA ČR(CZ) GA14-10279S; GA MŠk(CZ) 7AMB14FR010 Institutional support: RVO:68378271 ; RVO:67985882 Keywords : samarium-doped zinc oxide zinc/phthalocyanine deposition * evaporation * pulsed laser deposition * thin films Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.455, year: 2016

Synthesis and application of different phthalocyanine molecular sieve catalyst for oxidative desulfurization

International Nuclear Information System (INIS)

Zhao, Na; Li, Siwen; Wang, Jinyi; Zhang, Ronglan; Gao, Ruimin; Zhao, Jianshe; Wang, Junlong

2015-01-01

M 2 (PcAN) 2 (M=Fe, Co, Ni, Cu, Zn and Mn) anchored onto W-HZSM-5 (M 2 (PcAN) 2 –W-HZSM-5) or the M 2 (PcTN) 2 doping W-HZSM-5 (M 2 (PcTN) 2 /W-HZSM-5) were prepared and their catalytic performances were tested for oxidative desulfurization in the presence of oxygen. Thiophene (T), benzothiophene (BT), and dibenzothiophene (DBT) were considered as sulfur compounds. Among zeolite-based catalysts, the Cu 2 (PcAN) 2 –W-HZSM-5 and Cu 2 (PcTN) 2 /W-HZSM-5 showed superior desulfurization performance and the activity of selectivity followed the order: T>BT>DBT. The effects of phthalocyanine concentration were studied by UV–Vis and calcination temperature was obtained by TG-DSC for Cu 2 (PcTN) 2 /W-HZSM-5. Catalysts were characterized by EA, IR, XRD, SEM, TEM, ICP, and N 2 adsorption. Reaction time, temperature and the amount of catalyst were investigated as the important parameters for optimization of the reaction. Furthermore, a possible process of oxidative desulfurization and the reaction products were proposed. - Graphical abstract: The ODS reaction schematic shows the reaction mechanism of ultra-deep desulfurization. The sulfur compounds are oxidized to their corresponding sulfoxides or sulfones through the use of oxygen and catalysts. The reaction process of ultra-deep desulfurization. - Highlights: • A kind of novel catalyst for deep desulfurization was synthesized. • Cu 2 (PcAN) 2 –W-HZSM-5 exhibits excellent catalytic performance for desulfurization. • The reaction conditions that affect desulfurization efficiency are investigated. • The reaction process of model sulfur compounds is proposed

Synthesis, characterization and investigation of the spectroscopic properties of novel peripherally 2,3,5-trimethylphenoxy substituted Cu and Co phthalocyanines, the computational and experimental studies of the 4-(2,3,5-trimethylphenoxyphthalonitrile

Directory of Open Access Journals (Sweden)

Nesuhi Akdemir

2016-11-01

Full Text Available 4-(2,3,5-trimethylphenoxyphthalonitrile (3 was firstly prepared via aromatic nucleophilic substitution reaction and characterized by FT-IR, mass spectrometry, 1H and 13C NMR techniques. The molecular structure of the compound (3 was optimized using Density Functional Theory (DFT/B3LYP method with 6-311G(d,p basis set in the ground state. The molecular geometric parameters which were obtained by X-ray single crystal diffraction method and the spectral results were compared with computed bond lengths and angles, vibrational frequencies and 1H, 13C NMR chemical shifts values of the compound (3. Also, Cu(II and Co(II phthalocyanines were synthesized by the treatment of dinitrile derivative with anhydrous CuCl2 or CoCl2 under N2 atmosphere in dry n-pentanol at 140oC. The new compounds have been determined by elemental analysis, FT-IR and electronic absorption. The UV-Vis spectra of the Cu(II and Co(II phthalocyanines were recorded with different concentration in THF and also with different solvents as DMF, DMSO, DCM, CHCl3, toluene.

Hindered rotation of a copper phthalocyanine molecule on C60 : Experiments and molecular mechanics calculations

NARCIS (Netherlands)

Fendrich, M.; Wagner, Th.; Stöhr, M.; Möller, R.

2006-01-01

If copper phthalocyanine (CuPc) molecules are deposited on a Au(111) surface covered with a monolayer of C60, the molecules are found to adsorb individually onto the close-packed layer of C60. As the adsorption site of the CuPc is not symmetric with respect to the underlying C60 layer, the CuPc

Perfluorinated cobalt phthalocyanine effectively catalyzes water electrooxidation

KAUST Repository

Morlanes, Natalia Sanchez

2014-12-08

Efficient electrocatalysis of water oxidation under mild conditions at neutral pH was achieved by a fluorinated cobalt phthalocyanine immobilized on fluorine-doped tin oxide (FTO) surfaces with an onset potential at 1.7 V vs. RHE. Spectroscopic, electrochemical, and inhibition studies indicate that phthalocyanine molecular species are the operational active sites. Neither free cobalt ions nor heterogeneous cobalt oxide particles or films were observed. During long-term controlled-potential electrolysis at 2 V vs. RHE (phosphate buffer, pH 7), electrocatalytic water oxidation was sustained for at least 8 h (TON ≈ 1.0 × 105), producing about 4 μmol O2 h-1 cm-2 with a turnover frequency (TOF) of about 3.6 s-1 and no measurable catalyst degradation.

Fabrication and characterization of tetracyanoquinodimethane/phthalocyanine solar cells

International Nuclear Information System (INIS)

Suzuki, Atsushi; Ohtsuki, Takahiro; Oku, Takeo; Akiyama, Tsuyoshi

2012-01-01

Highlights: ► Heterojunction solar cells of tetracyanoquinodimethane (TCNQ)/copper phthalocyanine (CuPc) and zinc phthalocyanine (ZnPc) were fabricated and characterized. ► The light-induced charge separation with charge transfer was investigated by light-induced current density and optical absorption.. ► In both solar cells of TCNQ/CuPc and TCNQ/ZnPc, the TCNQ thin film worked for strong electron-accepting layer. ► These behaviors would be originated in charge transfer of excited electron from CuPc and ZnPc to TCNQ. ► The photovoltaic mechanism was discussed by the experimental results. - Abstract: Fabrication and characterization of heterojunction solar cells of tetracyanoquinodimethane (TCNQ)/copper phthalocyanine (CuPc) and zinc phthalocyanine (ZnPc) were carried out. The light-induced charge separation with charge transfer was investigated by light-induced current density and optical absorption. In both cases of the TCNQ/CuPc and TCNQ/ZnPc solar cells, the TCNQ thin film worked for strong electron-accepting layer as n-type semiconductor. These behaviors would be originated in charge transfer of excited electron from CuPc and ZnPc to TCNQ. The photovoltaic mechanism was discussed on the basis of the experimental results.

Synthesis and application of different phthalocyanine molecular sieve catalyst for oxidative desulfurization

Energy Technology Data Exchange (ETDEWEB)

Zhao, Na; Li, Siwen; Wang, Jinyi; Zhang, Ronglan [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Material Science, Northwest University, Xi’an 710069, Shaanxi (China); Composites Research Institute, Weinan Normal University, Weinan 714000 (China); Gao, Ruimin [Research Institute of Shaanxi Yanchang Petroleum Group Corp. Ltd., Xi’an 710075 (China); Composites Research Institute, Weinan Normal University, Weinan 714000 (China); Zhao, Jianshe, E-mail: jszhao@nwu.edu.cn [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Material Science, Northwest University, Xi’an 710069, Shaanxi (China); Composites Research Institute, Weinan Normal University, Weinan 714000 (China); Wang, Junlong [Research Institute of Shaanxi Yanchang Petroleum Group Corp. Ltd., Xi’an 710075 (China); Composites Research Institute, Weinan Normal University, Weinan 714000 (China)

2015-05-15

M{sub 2}(PcAN){sub 2} (M=Fe, Co, Ni, Cu, Zn and Mn) anchored onto W-HZSM-5 (M{sub 2}(PcAN){sub 2}–W-HZSM-5) or the M{sub 2}(PcTN){sub 2} doping W-HZSM-5 (M{sub 2}(PcTN){sub 2}/W-HZSM-5) were prepared and their catalytic performances were tested for oxidative desulfurization in the presence of oxygen. Thiophene (T), benzothiophene (BT), and dibenzothiophene (DBT) were considered as sulfur compounds. Among zeolite-based catalysts, the Cu{sub 2}(PcAN){sub 2}–W-HZSM-5 and Cu{sub 2}(PcTN){sub 2}/W-HZSM-5 showed superior desulfurization performance and the activity of selectivity followed the order: T>BT>DBT. The effects of phthalocyanine concentration were studied by UV–Vis and calcination temperature was obtained by TG-DSC for Cu{sub 2}(PcTN){sub 2}/W-HZSM-5. Catalysts were characterized by EA, IR, XRD, SEM, TEM, ICP, and N{sub 2} adsorption. Reaction time, temperature and the amount of catalyst were investigated as the important parameters for optimization of the reaction. Furthermore, a possible process of oxidative desulfurization and the reaction products were proposed. - Graphical abstract: The ODS reaction schematic shows the reaction mechanism of ultra-deep desulfurization. The sulfur compounds are oxidized to their corresponding sulfoxides or sulfones through the use of oxygen and catalysts. The reaction process of ultra-deep desulfurization. - Highlights: • A kind of novel catalyst for deep desulfurization was synthesized. • Cu{sub 2}(PcAN){sub 2}–W-HZSM-5 exhibits excellent catalytic performance for desulfurization. • The reaction conditions that affect desulfurization efficiency are investigated. • The reaction process of model sulfur compounds is proposed.

Cu-Doped-CdS/In-Doped-CdS Cosensitized Quantum Dot Solar Cells

Directory of Open Access Journals (Sweden)

Lin Li

2014-01-01

Full Text Available Cu-doped-CdS and In-doped-CdS cosensitized (Cu-doped-CdS/In-doped-CdS quantum dot solar cells (QDSCs are introduced here. Different cosensitized sequences, doping ratios, and the thickness (SILAR cycles of Cu-doped-CdS and In-doped-CdS are discussed. Compared with undoped CdS QDSCs, the short circuit current density, UV-Vis absorption spectra, IPCE (monochromatic incident photon-to-electron conversion, open circuit voltage, and so on are all improved. The photoelectric conversion efficiency has obviously improved from 0.71% to 1.28%.

Electronic and magnetic coupling of iron and copper phthalocyanine to ferromagnetic Co(100) surfaces

Energy Technology Data Exchange (ETDEWEB)

Schmidt, Felix; Sauther, Jens; Lach, Stefan; Ziegler, Christiane [Department of Physics, University of Kaiserslautern, Erwin Schroedinger Str. 56, D-67663 Kaiserslautern (Germany); Ali, Ehesan; Oppeneer, Peter [Department of Physics and Materials Science, Box 530, Uppsala University, S-75121 Uppsala (Sweden)

2009-07-01

Metallo-phthalocyanines are organic semiconductors which show in certain cases promising magnetic properties, advertising them for use in organic spintronics. Here, copper (CuPc) and iron phthalocyanine (FePc) were grown on ultra thin layers of Co(100) substrates with well known highly spin-polarized electron injection capability. Photoelectron spectroscopy (XPS) reveals different interactions between the pyrolytic nitrogen atoms and the cobalt surface for the two phthalocyanines. The analysis of the different multiplet structures appearing for the nitrogen core levels in the submonolayer regime and UPS investigations of the valence band electronic structure of the Co dominated region near the Fermi level indicates a particularly electronic coupling and a rehybridisation of the molecular orbitals with the cobalt orbitals. In order to clarify the influence of the two different central atoms on the electronic- and subsequently the magnetic coupling to the Co substrate, theoretical calculations using the GGA and GGA+U methodologies on a structure of Fe/Cu-phthalocyanine adsorbed on a 3-layered cobalt surface were performed indicating a ferromagnetic coupling between FePc and Co.

Direct observation of hindered eccentric rotation of an individual molecule : Cu-phthalocyanine on C60

NARCIS (Netherlands)

Stöhr, Meike; Wagner, T; Gabriel, M; Weyers, B; Moller, R

2002-01-01

Individual Cu-phthalocyanine molecules have been investigated by scanning tunnel microscopy on a closed packed film of C-60 at various temperatures. The molecules are found to bind asymmetrically to one C-60. While they remain in one position at low temperature, they can hop between six equivalent

Photocatalytic Conversion of Carbon Dioxide Using Zn–Cu–Ga Layered Double Hydroxides Assembled with Cu Phthalocyanine: Cu in Contact with Gaseous Reactant is Needed for Methanol Generation

Directory of Open Access Journals (Sweden)

Kawamura Shogo

2015-09-01

Full Text Available Photocatalytic conversion of CO2 into fuels is an attractive option in terms of both reducing the increased concentration of atmospheric CO2 as well as generating renewable hydrocarbon fuels. It is necessary to investigate good catalysts for CO2 conversion and to clarify the mechanism irradiated by natural light. Layered Double Hydroxides (LDH have been attracting attention for CO2 photoreduction with the expectation of sorption capacity for CO2 in the layered space and tunable semiconductor properties as a result of the choice of metal cations. This study first clarifies the effects of Cu doping to LDH comprising Zn and Al or Ga. Cu could be incorporated in the cationic layers of LDH as divalent metal cations and/or interlayer anions as Cu(OH42−. The formation rates of methanol and CO were optimized for [Zn1.5Cu1.5Ga(OH8]+2Cu(OH42−·mH2O at a total rate of 560 nmol h−1 gcat−1 irradiated by UV–visible light. Cu phthalocyanine tetrasulfonate hydrate (CuPcTs4− and silver were effective as promoters of LDH for CO2 photoreduction. Especially, the total formation rate using CuPcTs-[Zn3Ga(OH8]+2CO32−·mH2O irradiated by visible light was 73% of that irradiated by UV–visible light. The promotion was based on HOMO–LUMO excitation of CuPcTs4− by visible light. The LUMO was distributed on N atoms of pyrrole rings bound to central Cu2+ ions. The photogenerated electrons diffused to the Cu site would photoreduce CO2 progressively in a similar way to inlayer and interlayer Cu sites in the LDH in this study.

Fabrication and characterization of Pd/Cu doped ZnO/Si and Ni/Cu doped ZnO/Si Schottky diodes

Energy Technology Data Exchange (ETDEWEB)

Agarwal, Lucky; Singh, Brijesh Kumar; Tripathi, Shweta [Department of Electronics & Communication Engineering, Motilal Nehru National Institute of Technology, Allahabad 211004 (India); Chakrabarti, P., E-mail: pchakrabarti.ece@iitbhu.ac.in [Department of Electronics & Communication Engineering, Motilal Nehru National Institute of Technology, Allahabad 211004 (India); Department of Electronics Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

2016-08-01

In this paper, fabrication and characterization of copper doped ZnO (Cu doped ZnO) based Schottky devices have been reported. Cu doped ZnO thin films have been deposited on p-Si (100) samples by the sol-gel spin coating method. X-Ray diffraction (XRD) and atomic force microscopy (AFM) studies have been done in order to evaluate the structural and morphological properties of the film. The optical properties of the film have been determined by using variable angle ellipsometry. Further, Seebeck measurement of the deposited Cu doped ZnO film leads to positive Seebeck coefficient confirming the p-type conductivity of the sample. The resistivity and acceptor concentration of the film has also been evaluated using four probe measurement system. Pd and Ni metals have been deposited on separate Cu doped ZnO thin film samples using low cost thermal evaporation method to form Schottky contacts. The electrical characterization of the Schottky diode has been performed by semiconductor device analyzer (SDA). Electrical parameters such as barrier height, ideality factor, reverse saturation current and rectification ratio have also been determined for the as-prepared Schottky diode using conventional thermionic emission model and Cheung's method. - Highlights: • Fabrication of sol-gel derived Cu doped ZnO (p-type) Schottky contact proposed. • The p-type Conductivity of the sample confirmed by Seebeck Measurement. • Pd and Ni deposited on Cu doped ZnO film to form Schottky contacts. • Cu doped ZnO expected to emerge as a potential material for thin film solar cells.

Fabrication and characterization of Pd/Cu doped ZnO/Si and Ni/Cu doped ZnO/Si Schottky diodes

International Nuclear Information System (INIS)

Agarwal, Lucky; Singh, Brijesh Kumar; Tripathi, Shweta; Chakrabarti, P.

2016-01-01

In this paper, fabrication and characterization of copper doped ZnO (Cu doped ZnO) based Schottky devices have been reported. Cu doped ZnO thin films have been deposited on p-Si (100) samples by the sol-gel spin coating method. X-Ray diffraction (XRD) and atomic force microscopy (AFM) studies have been done in order to evaluate the structural and morphological properties of the film. The optical properties of the film have been determined by using variable angle ellipsometry. Further, Seebeck measurement of the deposited Cu doped ZnO film leads to positive Seebeck coefficient confirming the p-type conductivity of the sample. The resistivity and acceptor concentration of the film has also been evaluated using four probe measurement system. Pd and Ni metals have been deposited on separate Cu doped ZnO thin film samples using low cost thermal evaporation method to form Schottky contacts. The electrical characterization of the Schottky diode has been performed by semiconductor device analyzer (SDA). Electrical parameters such as barrier height, ideality factor, reverse saturation current and rectification ratio have also been determined for the as-prepared Schottky diode using conventional thermionic emission model and Cheung's method. - Highlights: • Fabrication of sol-gel derived Cu doped ZnO (p-type) Schottky contact proposed. • The p-type Conductivity of the sample confirmed by Seebeck Measurement. • Pd and Ni deposited on Cu doped ZnO film to form Schottky contacts. • Cu doped ZnO expected to emerge as a potential material for thin film solar cells.

Structural and optical properties of Zn doped CuInS 2 thin films

Indian Academy of Sciences (India)

Copper indium sulphide (CIS) films were deposited by spray pyrolysis onto glass ... The effects of Zn (0–5%)molecular weight compared with CuInS2 Source and ... candidates for use as doped acceptors to fabricate CuInS2-based solar cells.

Nucleation and growth of copper phthalocyanine aggregates deposited from solution on planar surfaces

Energy Technology Data Exchange (ETDEWEB)

Ghani, Fatemeh [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany); Gojzewski, Hubert, E-mail: hubert.gojzewski@put.poznan.pl [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany); Institute of Physics, Poznan University of Technology, Piotrowo 3, 60-965 Poznan (Poland); Riegler, Hans [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany)

2015-10-01

Graphical abstract: - Highlights: • Copper phthalocyanine deposited on planar surfaces by 3 solution process methods. • Aggregate morphology examined for coverage extending over 3 orders of magnitude. • Morphologies vary from small individual domains to mesh-like multilayers. • Nucleation and growth model explains the observed deposit morphologies. - Abstract: Copper phthalocyanine (CuPc) dissolved in trifluoroacetic acid (TFA) is deposited on solid SiO{sub 2} surfaces by solvent evaporation. The deposited CuPc aggregates are investigated by atomic force microscopy (AFM). The CuPc deposits were prepared by spin casting, dip coating, and spray deposition. Depending on the amount of deposited CuPc the aggregate morphology ranges from small individual domains to mesh-like multilayers. Each domain/layer consists of many parallel stacks of CuPc molecules with the square, plate-like molecules piled face-wise within each stack. The parallel stacks are attached sideways (i.e., edgewise attachment molecularly) to the substrate forming “nanoribbons” with uniform thickness of about 1 nm and varying width. The thickness reflects the length of a molecular edge, the width the number of stacks. A nucleation and growth model is presented that explains the observed aggregate and multilayer morphologies as result of the combination of nucleation, transport processes and a consequence of the anisotropic intermolecular interactions due to the shape of the CuPc molecule.

Iron phthalocyanine on Cu(111): Coverage-dependent assembly and symmetry breaking, temperature-induced homocoupling, and modification of the adsorbate-surface interaction by annealing.

Science.gov (United States)

Snezhkova, Olesia; Bischoff, Felix; He, Yuanqin; Wiengarten, Alissa; Chaudhary, Shilpi; Johansson, Niclas; Schulte, Karina; Knudsen, Jan; Barth, Johannes V; Seufert, Knud; Auwärter, Willi; Schnadt, Joachim

2016-03-07

We have examined the geometric and electronic structures of iron phthalocyanine assemblies on a Cu(111) surface at different sub- to mono-layer coverages and the changes induced by thermal annealing at temperatures between 250 and 320 °C by scanning tunneling microscopy, x-ray photoelectron spectroscopy, and x-ray absorption spectroscopy. The symmetry breaking observed in scanning tunneling microscopy images is found to be coverage dependent and to persist upon annealing. Further, we find that annealing to temperatures between 300 and 320 °C leads to both desorption of iron phthalocyanine molecules from the surface and their agglomeration. We see clear evidence of temperature-induced homocoupling reactions of the iron phthalocyanine molecules following dehydrogenation of their isoindole rings, similar to what has been observed for related tetrapyrroles on transition metal surfaces. Finally, spectroscopy indicates a modified substrate-adsorbate interaction upon annealing with a shortened bond distance. This finding could potentially explain a changed reactivity of Cu-supported iron phthalocyanine in comparison to that of the pristine compound.

Effects of Different Doping Ratio of Cu Doped CdS on QDSCs Performance

Directory of Open Access Journals (Sweden)

Xiaojun Zhu

2015-01-01

Full Text Available We use the successive ionic layer adsorption and reaction (SILAR method for the preparation of quantum dot sensitized solar cells, to improve the performance of solar cells by doping quantum dots. We tested the UV-Vis absorption spectrum of undoped CdS QDSCs and Cu doped CdS QDSCs with different doping ratios. The doping ratios of copper were 1 : 100, 1 : 500, and 1 : 1000, respectively. The experimental results show that, under the same SILAR cycle number, Cu doped CdS quantum dot sensitized solar cells have higher open circuit voltage, short circuit current density photoelectric conversion efficiency than undoped CdS quantum dots sensitized solar cells. Refinement of Cu doping ratio are 1 : 10, 1 : 100, 1 : 200, 1 : 500, and 1 : 1000. When the proportion of Cu and CdS is 1 : 10, all the parameters of the QDSCs reach the minimum value, and, with the decrease of the proportion, the short circuit current density, open circuit voltage, and the photoelectric conversion efficiency are all increased. When proportion is 1 : 500, all parameters reach the maximum values. While with further reduction of the doping ratio of Cu, the parameters of QDSCs have a decline tendency. The results showed that, in a certain range, the lower the doping ratio of Cu, the better the performance of quantum dot sensitized solar cell.

Copper phthalocyanine and metal free phthalocyanine bulk heterojunction photodetector

Energy Technology Data Exchange (ETDEWEB)

Farooq, Amjad, E-mail: amjad.farooq1212@hotmail.com [Wah Engineering College, University of Wah, Wah Cantt. 47040 (Pakistan); GIK Institute of Engineering Sciences and Technology, Topi 23640, Swabi (Pakistan); Karimov, Kh.S. [GIK Institute of Engineering Sciences and Technology, Topi 23640, Swabi (Pakistan); Physical Technical Institute, Aini St. 299/1, Dushanbe 734063 (Tajikistan); Ahmed, Nisar; Ali, Taimoor [GIK Institute of Engineering Sciences and Technology, Topi 23640, Swabi (Pakistan); Khalid Alamgir, M. [National Institute of Vacuum Science and Technology, NCP complex, Islamabad 44000 (Pakistan); Usman, Muhammad [Experimental Physics Laboratories, National Centre for Physics, Quaid-i-Azam University, Islamabad 44000 (Pakistan)

2015-01-15

In this study we present the dependence of electrical properties of copper phthalocyanine (CuPc) and metal free phthalocyanine (H{sub 2}Pc) bulk heterojunction structure under different illumination levels. To fabricate the device on ITO coated glass substrate the bulk heterojunction thin film of CuPc and H{sub 2}Pc with thickness varying from 100 nm to 300 nm are deposited by thermal evaporator. Aluminum thin film was deposited by thermal evaporation as a top contact. The optical properties of the fabricated device are investigated using UV–vis spectroscopy. The current-voltage characteristics in dark and under illumination show that the device is sensitive towards visible light. The absorption spectrum describes its photo sensitivity in the range of wavelength from 200 nm to 850 nm. Simulation of current-intensity of light curve is carried out and experimental results are found in good agreement with simulated ones.

Copper phthalocyanine and metal free phthalocyanine bulk heterojunction photodetector

International Nuclear Information System (INIS)

Farooq, Amjad; Karimov, Kh.S.; Ahmed, Nisar; Ali, Taimoor; Khalid Alamgir, M.; Usman, Muhammad

2015-01-01

In this study we present the dependence of electrical properties of copper phthalocyanine (CuPc) and metal free phthalocyanine (H 2 Pc) bulk heterojunction structure under different illumination levels. To fabricate the device on ITO coated glass substrate the bulk heterojunction thin film of CuPc and H 2 Pc with thickness varying from 100 nm to 300 nm are deposited by thermal evaporator. Aluminum thin film was deposited by thermal evaporation as a top contact. The optical properties of the fabricated device are investigated using UV–vis spectroscopy. The current-voltage characteristics in dark and under illumination show that the device is sensitive towards visible light. The absorption spectrum describes its photo sensitivity in the range of wavelength from 200 nm to 850 nm. Simulation of current-intensity of light curve is carried out and experimental results are found in good agreement with simulated ones

Interface properties of Fe/MgO/Cu-phthalocyanine metal-insulator-organic semiconductor structures

International Nuclear Information System (INIS)

Lee, Nyunjong; Bae, Yujeong; Kim, Taehee; Ito, Eisuke; Hara, Masahiko

2014-01-01

Hybrid interface structures consisting of organic copper-phthalocyanine (CuPc) and ferromagnetic metal Fe(001) with and without a MgO(001) cover were investigated by using surface sensitive techniques of X-ray photoemission spectroscopy and ultraviolet photoemission spectroscopy. A systematic study of the energy level alignment at the interfaces was carried out. For the hybrid interfaces considered here, our results indicate that the insertion of an artificially-grown ultra-thin oxide layer MgO(001) can prevent Femi level pinning and induce a rather large interface dipole, thereby resulting in remarkable CuPc Fermi level shifts when the thickness of the CuPc film is less than 3 nm. This study provides a better understanding of spin filtering in MgO-based organic spin devices and a new way to alter the interface electronic structure of metal/organic semiconductor hybrid systems.

Layer-by-layer assembled highly absorbing hundred-layer films containing a phthalocyanine dye: Fabrication and photosensibilization by thermal treatment

International Nuclear Information System (INIS)

Sergeeva, Alena S.; Volkova, Elena K.; Bratashov, Daniil N.; Shishkin, Mikhail I.; Atkin, Vsevolod S.; Markin, Aleksey V.; Skaptsov, Aleksandr A.; Volodkin, Dmitry V.; Gorin, Dmitry A.

2015-01-01

Highly absorbing hundred-layer films based on poly(diallyldimethylammonium chloride) (PDADMAC) of various molecular weights and on sulfonated copper phthalocyanine (CuPcTs) were prepared using layer-by-layer assembly. The multilayer films grew linearly up to 54 bilayers, indicating that the same amount of CuPcTs was adsorbed at each deposition step. This amount, however, was dependent on the molecular weight of PDADMAC in the range 100-500 kDa: the higher the molecular weight, the more CuPcTs molecules were adsorbed. This can be explained by the larger surface charge number density specific to longer polymer chains. Domains of pure PDADMAC and of the PDADMAC/CuPcTs complex were formed in the films during the assembly. Uniform distribution of CuPcTs over the films could be achieved by thermal treatment, leading to an α → β phase transition in phthalocyanine at 300 °C. Annealing caused changes in the film absorbance spectra, resulting in a 30-nm red shift of the peak maxima and in a strong (up to 62%) decrease in optical density. Thermogravimetric analysis revealed thermodegradation of PDADMAC during annealing above 270 °C, giving rise to micrometer-sized cracks within the films, as evidenced by scanning electron microscopy. - Highlights: • The films exhibit the linear dependence of the adsorption on the bilayer number varied from 2 until 54. • Polyelectrolyte of the highest MW shows the maximal adsorption of copper phthalocyanine molecules. • Annealing of the films causes a red-shift of the maxima in the absorbance spectra. • Cracks and micropores emerged in the multilayer films during the annealing

Potential thermoelectric performance of hole-doped Cu2O

International Nuclear Information System (INIS)

Chen, Xin; Parker, David; Du, Mao-Hua; Singh, David J

2013-01-01

High thermoelectric performance in oxides requires stable conductive materials that have suitable band structures. Here we show, based on an analysis of the thermopower and related properties using first-principles calculations and Boltzmann transport theory in the relaxation time approximation, that hole-doped Cu 2 O may be such a material. We find that hole-doped Cu 2 O has a high thermopower of above 200 μV K −1 even with doping levels as high as 5.2 × 10 20 cm −3 at 500 K, mainly attributed to the heavy valence bands of Cu 2 O. This is reminiscent of the cobaltate family of high-performance oxide thermoelectrics and implies that hole-doped Cu 2 O could be an excellent thermoelectric material if suitably doped. (paper)

Energy level alignment at the methylammonium lead iodide/copper phthalocyanine interface

Directory of Open Access Journals (Sweden)

Shi Chen

2014-08-01

Full Text Available The energy level alignment at the CH3NH3PbI3/copper phthalocyanine (CuPc interface is investigated by X-ray photoelectron spectroscopy (XPS and ultraviolet photoelectron spectroscopy (UPS. XPS reveal a 0.3 eV downward band bending in the CuPc film. UPS validate this finding and further reveal negligible interfacial dipole formation – verifying the viability of vacuum level alignment. The highest occupied molecular orbital of CuPc is found to be closer to the Fermi level than the valance band maximum of CH3NH3PbI3, facilitating hole transfer from CH3NH3PbI3 to CuPc. However, subsequent hole extraction from CuPc may be impeded by the downward band bending in the CuPc layer.

Atomic scale insight into the amorphous structure of Cu doped GeTe phase-change material

International Nuclear Information System (INIS)

Zhang, Linchuan; Sa, Baisheng; Zhou, Jian; Sun, Zhimei; Song, Zhitang

2014-01-01

GeTe shows promising application as a recording material for phase-change nonvolatile memory due to its fast crystallization speed and extraordinary amorphous stability. To further improve the performance of GeTe, various transition metals, such as copper, have been doped in GeTe in recent works. However, the effect of the doped transition metals on the stability of amorphous GeTe is not known. Here, we shed light on this problem for the system of Cu doped GeTe by means of ab initio molecular dynamics calculations. Our results show that the doped Cu atoms tend to agglomerate in amorphous GeTe. Further, base on analyzing the pair correlation functions, coordination numbers and bond angle distributions, remarkable changes in the local structure of amorphous GeTe induced by Cu are obviously seen. The present work may provide some clues for understanding the effect of early transition metals on the local structure of amorphous phase-change compounds, and hence should be helpful for optimizing the structure and performance of phase-change materials by doping transition metals.

Room temperature ferromagnetism in Fe-doped CuO nanoparticles.

Science.gov (United States)

Layek, Samar; Verma, H C

2013-03-01

The pure and Fe-doped CuO nanoparticles of the series Cu(1-x)Fe(x)O (x = 0.00, 0.02, 0.04, 0.06 and 0.08) were successfully prepared by a simple low temperature sol-gel method using metal nitrates and citric acid. Rietveld refinement of the X-ray diffraction data showed that all the samples were single phase crystallized in monoclinic structure of space group C2/c with average crystallite size of about 25 nm and unit cell volume decreases with increasing iron doping concentration. TEM micrograph showed nearly spherical shaped agglomerated particles of 4% Fe-doped CuO with average diameter 26 nm. Pure CuO showed weak ferromagnetic behavior at room temperature with coercive field of 67 Oe. The ferromagnetic properties were greatly enhanced with Fe-doping in the CuO matrix. All the doped samples showed ferromagnetism at room temperature with a noticeable coercive field. Saturation magnetization increases with increasing Fe-doping, becomes highest for 4% doping then decreases for further doping which confirms that the ferromagnetism in these nanoparticles are intrinsic and are not resulting from any impurity phases. The ZFC and FC branches of the temperature dependent magnetization (measured in the range of 10-350 K by SQUID magnetometer) look like typical ferromagnetic nanoparticles and indicates that the ferromagnetic Curie temperature is above 350 K.

Local Electrical Response in Alkaline-Doped Electrodeposited CuInSe2/Cu Films

Directory of Open Access Journals (Sweden)

Javier A. Barón-Miranda

2016-12-01

Full Text Available The local electrical response in alkaline-doped CuInSe2 films prepared by single-step electrodeposition onto Cu substrates was studied by current-sensing atomic force microscopy. The CuInSe2 (CIS films were prepared from single baths containing the dopant ions (Li, Na, K or Cs and were studied by X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy and photocurrent response. Increased crystallinity and surface texturing as the ion size increased were observed, as well as an enhanced photocurrent response in Cs-doped CIS. Li- and Na-doped films had larger conductivity than the undoped film while the K- and Cs-doped samples displayed shorter currents and the current images indicated strong charge accumulation in the K- and Cs-doped films, forming surface capacitors. Corrected current-sensing AFM IV curves were adjusted with the Shockley equation.

Room temperature ferromagnetism in Cu doped ZnO

Science.gov (United States)

Ali, Nasir; Singh, Budhi; Khan, Zaheer Ahmed; Ghosh, Subhasis

2018-05-01

We report the room temperature ferromagnetism in 2% Cu doped ZnO films grown by RF magnetron sputtering in different argon and oxygen partial pressure. X-ray photoelectron spectroscopy was used to ascertain the oxidation states of Cu in ZnO. The presence of defects within Cu-doped ZnO films can be revealed by electron paramagnetic resonance. It has been observed that saturated magnetic moment increase as we increase the zinc vacancies during deposition.

First-principles study of Cu adsorption on vacancy-defected/Au-doped graphene

Science.gov (United States)

Liu, Yang; An, Libao; Gong, Liang

2018-04-01

To enhance the interaction between Cu and graphene in graphene reinforced Cu matrix composites, the first principles calculation was carried out to study the adsorption of Cu atoms on graphene. P-type doping and n-type doping were formed, respectively, on vacancy-defected and Au-doped graphene based on band structure analysis, and this was verified by subsequent investigation on density of states. A computation on charge transfer confirmed that p-type doping could promote the electron transport between Cu and graphene, while n-type doping would prevent it. In addition, adsorption energy and Mulliken population analysis revealed that both vacancy defects and Au doping could improve the stability of the Cu-graphene system. The research conducted in this paper provides useful guidance for the preparation of Cu/graphene composites.

Antibacterial effect of cationic porphyrazines and anionic phthalocyanine and their interaction with plasmid DNA

Science.gov (United States)

Hassani, Leila; Hakimian, Fatemeh; Safaei, Elham; Fazeli, Zahra

2013-11-01

Resistance to antibiotics is a public health issue and identification of new antibacterial agents is one of the most important goals of pharmacological research. Among the novel developed antibacterial agents, porphyrin complexes and their derivatives are ideal candidates for use in medical applications. Phthalocyanines differ from porphyrins by having nitrogen atoms link the individual pyrrol units. The aza analogues of the phthalocyanines (azaPcs) such as tetramethylmetalloporphyrazines are heterocyclic Pc analogues. In this investigation, interaction of an anionic phthalocyanine (Cu(PcTs)) and two cationic tetrapyridinoporphyrazines including [Cu(2,3-tmtppa)]4+ and [Cu(3,4-tmtppa)]4+ complexes with plasmid DNA was studied using spectroscopic and gel electrophoresis methods. In addition, antibacterial effect of the complexes against Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria was investigated using dilution test method. The results indicated that both porphyrazines have significant antibacterial properties, but Cu(PcTs) has weak antibacterial effect. Compairing the binding of the phthalocyanine and the porphyrazines to DNA demonstrated that the interaction of cationic porphyrazines is stronger than the anionic phthalocyanine remarkably. The extent of hypochromicity and red shift of absorption spectra indicated preferential intercalation of the two porphyrazine into the base pairs of DNA helix. Gel electrophoresis result implied Cu(2,3-tmtppa) and Cu(3,4-tmtppa) are able to perform cleavage of the plasmid DNA. Consequently, DNA binding and cleavage might be one of the antibacterial mechanisms of the complexes.

Asymmetric Response toward Molecular Fluorination in Binary Copper–Phthalocyanine/Pentacene Assemblies

DEFF Research Database (Denmark)

de Oteyza, D. G.; García Lastra, Juan Maria; Goiri, E.

2014-01-01

We report a didactic and simple example of the subtleness in the balance of intermolecular and molecule–substrate interactions and its effect on molecular self-assembly. The study is performed on two closely related molecular blends of copper phthalocyanines and pentacene, in each of which one of...... intermolecular interactions and a larger corrugation in the molecule–substrate interaction potential, results in a disordered layer. However, the difference between the two blend’s structures vanishes when substrates with less corrugated interaction potentials are used....

Optical and structural properties of Cu-doped β-Ga2O3 films

International Nuclear Information System (INIS)

Zhang Yijun; Yan Jinliang; Li Qingshan; Qu Chong; Zhang Liying; Xie Wanfeng

2011-01-01

Graphical abstract: Highlights: → We prepare polycrystalline Cu-doped β-Ga2O3 films. → Cu dopants cause poor crystal quality and shrinkage of the optical band gap. → Cu-doping enhances the UV and blue emission. → A new blue emission peak centre at 475 nm appears by Cu-doping. → Cu dopants decrease the optical transmittance. - Abstract: The intrinsic and Cu-doped β-Ga 2 O 3 films were grown on Si and quartz substrates by RF magnetron sputtering in an argon and oxygen mixture ambient. The effects of the Cu doping and the post thermal annealing on the optical and structural properties of the β-Ga 2 O 3 films were studied. The surface morphology, microstructure, optical transmittance, optical absorption, optical energy gap and photoluminescence of the β-Ga 2 O 3 films were significantly changed after Cu-doping. After post thermal annealing, Polycrystalline β-Ga 2 O 3 films were obtained, the transmittance decreased. After Cu-doping, the grain size decreased, the crystal quality deteriorated and the optical band gap shrunk. The UV, blue and green emission bands were observed and discussed. The UV and blue emission were enhanced and a new blue emission peak centred at 475 nm appeared by Cu-doping.

Antimicrobial activity and biocompatibility of Ag+- and Cu2+-doped biphasic hydroxyapatite/α-tricalcium phosphate obtained from hydrothermally synthesized Ag+- and Cu2+-doped hydroxyapatite

International Nuclear Information System (INIS)

Radovanović, Željko; Jokić, Bojan; Veljović, Djordje; Dimitrijević, Suzana; Kojić, Vesna; Petrović, Rada; Janaćković, Djordje

2014-01-01

Hydroxyapatite (HAp) powders doped with Ag + or Cu 2+ were synthesized by a hydrothermal method in order to obtain biomaterial with an antimicrobial effect. The synthesis was performed with two contents of dopant (Ag + or Cu 2+ ) by considering both the antimicrobial activities and biocompatibility of the powders. The doped HAp was annealed at 1200 °C for 2 h with the intention of investigating the influence of doping with Ag + and Cu 2+ on the creation of the biphasic HAp/α-tricalcium phosphate (HAp/α-TCP) and determining the antimicrobial activity and biocompatibility of the obtained biphasic powders. Analyses of all powders, undoped and doped HAp and HAp/α-TCP, were performed by Field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), atomic absorption spectroscopy (AAS) and energy-dispersive X-ray spectroscopy (EDS). The in vitro antibacterial activities of the powders were evaluated against: Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Candida albicans. All powders showed good antimicrobial activity but generally the powders of doped HAp/α-TCP had more uniform results against all pathogenic microorganisms than the powders of doped HAp. In vitro biocompatibility tests, MTT and DET, were used to evaluate the biocompatibility of Ag + - and Cu 2+ -doped HAp/α-TCP with MRC-5 human fibroblast cells. These tests confirmed that powders do not have a cytotoxic effect. The HAp/α-TCP powders doped with the lower content of Ag + and Cu 2+ showed especially good biocompatibility. Antimicrobial and biocompatibility tests recommend the Ag + - and Cu 2+ -doped HAp/α-TCP as promising material for use in reconstructive surgery of bone.

Graphene-enhanced intermolecular interaction at interface between copper- and cobalt-phthalocyanines

Energy Technology Data Exchange (ETDEWEB)

Dou, Wei-Dong [Department of Physics, Shaoxing University, Shaoxing 312000 (China); Center of Super-Diamond and Advanced Films (COSDAF) and Department of Physics and Material Science, City University of Hong Kong, Hong Kong (China); Huang, Shu-Ping [Department of Chemistry, University of South Dakota, Vermillion, South Dakota 57069 (United States); Lee, Chun-Sing, E-mail: apcslee@cityu.edu.hk [Center of Super-Diamond and Advanced Films (COSDAF) and Department of Physics and Material Science, City University of Hong Kong, Hong Kong (China)

2015-10-07

Interfacial electronic structures of copper-phthalocyanine (CuPc), cobalt-phthalocyanine (CoPc), and graphene were investigated experimentally by using photoelectron spectroscopy. While the CuPc/graphene interface shows flat band structure and negligible interfacial dipole indicating quite weak molecule-substrate interaction, the CuPc/CoPc/graphene interface shows a large interfacial dipole and obvious energy level bending. Controlled experiments ruled out possible influences from the change in film structure of CuPc and pure π–π interaction between CoPc and CuPc. Analysis based on X-ray photoelectron spectroscopy and density functional theory reveals that the decrease in the work function for the CuPc/CoPc/graphene system is induced by the intermolecular interaction between CuPc and CoPc which is enhanced owning to the peculiar electronic properties at the CoPc-graphene interface.

Room-temperature ferromagnetic properties of Cu-doped ZnO rod ...

Indian Academy of Sciences (India)

We have investigated properties of the Cu-doped ZnO crystalline film synthesized by the hydrothermal method. X-ray diffraction and X-ray ... DMSs are semiconducting alloys whose lattice is made up in part of substitutional magnetic ... investigate Cu-doped ZnO system (Hou et al 2007a, b), as. Cu is a potential magnetic ion ...

Effect of annealing on bulk heterojunction organic solar cells based on copper phthalocyanine and perylene derivative

KAUST Repository

Kim, Inho

2012-02-01

We investigated the effects of annealing on device performances of bulk heterojunction organic solar cells based on copper phthalocyanine (CuPc) and N,N′-3,4,9,10-perylenetetracarboxylic diimide (PTCDI-C6). Blended films of CuPc and PTCDI-C6 with annealing at elevated temperature were characterized by measuring optical absorption, photoluminescence, and X-ray diffraction. Enhanced molecular ordering and increments in domain sizes of donor and acceptor for the blended films were observed, and their influences on device performances were discussed. Annealing led to substantial improvements in photocurrent owing to enhanced molecular ordering and formation of percolation pathways. © 2011 Elsevier B.V. All rights reserved.

Thermal Annealing Effect on Poly(3-hexylthiophene: Fullerene:Copper-Phthalocyanine Ternary Photoactive Layer

Directory of Open Access Journals (Sweden)

H. Derouiche

2013-01-01

Full Text Available We have fabricated poly(3-hexylthiophene (P3HT/copper phthalocyanine (CuPc/fullerene (C60 ternary blend films. This photoactive layer is sandwiched between an indium tin oxide (ITO/poly(3,4-ethylenedioxythiophene:poly(styrene sulfonate (PEDOT/PSS photoanode and a bathocuproine (BCP/aluminium photocathode. The thin films have been characterized by atomic force microscope (AFM and ultraviolet/visible spectroscopy in order to study the influence of P3HT doping on the morphological and optical properties of the photoactive layer. We have also compared the characteristics of three different organic solar cells: ITO/PEDOT:PSS/CuPc0.5:C600.5/BCP/Al and ITO/PEDOT:PSS/P3HT0.3:CuPc0.3:C600.4/BCP/Al with and without annealing. Both structures show good photovoltaic behaviour. Indeed, the incorporation of P3HT into CuPc:C60 thin film improves all the photovoltaic characteristics. We have also seen that thermal annealing significantly improves the optical absorption ability and stabilizes the organic solar cells making it more robust to chemical degradation.

Structural and magnetic characterization of copper sulfonated phthalocyanine grafted onto treated polyethylene

Energy Technology Data Exchange (ETDEWEB)

Reznickova, A., E-mail: alena.reznickova@vscht.cz [Department of Solid State Engineering, University of Chemistry and Technology, 166 28, Prague 6 (Czech Republic); Kolska, Z. [Department of Solid State Engineering, University of Chemistry and Technology, 166 28, Prague 6 (Czech Republic); Faculty of Science, J.E. Purkyne University, 400 96 Usti nad Labem (Czech Republic); Orendac, M.; Cizmar, E. [Faculty of Science, P.J. Safarik University, Park Angelinum 9, 04013 Kosice (Slovakia); Sajdl, P. [Department of Power Engineering, University of Chemistry and Technology, 166 28, Prague 6 (Czech Republic); Svorcik, V. [Department of Solid State Engineering, University of Chemistry and Technology, 166 28, Prague 6 (Czech Republic)

2016-08-30

Highlights: • Polyethylene (PE) surface was activated by argon plasma discharge. • Monolayer of copper phthalocyanine was achieved. • ESR proved that CuPc coated PE surface exhibits magnetic properties. • The studied structures may have potential application in spintronics and data storage. - Abstract: This study focuses on high density polyethylene (HDPE) activated by Ar plasma treatment, subsequently grafted with copper sulfonated phthalocyanine (CuPc) especially pointing out to the surface and magnetic properties of those composites. Properties of pristine PE and their plasma treated counterparts were studied by different experimental techniques: X-ray photoelectron spectroscopy (XPS), UV–vis spectroscopy, zeta potential and by electron spin resonance (ESR). XPS analysis confirmed the successful grafting of phthalocyanine. The highest absorption was found for the sample grafted with {sup b}CuPc for 1 h. Electrokinetic analysis also confirmed the plasma treatment and also subsequent CuPc grafting influence significantly the surface chemistry and charge. These results correspond well with XPS determination. ESR studies confirmed the presence of CuPc grafted on HDPE. It was found, that grafting is mediated by magnetically inactive functional groups, rather than radicals. Magnetic properties of CuPc do not seem to change significantly after grafting CuPc on polyethylene surface.

Molecular distortion and charge transfer effects in ZnPc/Cu(111)

KAUST Repository

Amin, B.; Nazir, S.; Schwingenschlö gl, Udo

2013-01-01

The adsorption geometry and electronic properties of a zinc-phthalocyanine molecule on a Cu(111) substrate are studied by density functional theory. In agreement with experiment, we find remarkable distortions of the molecule, mainly as the central Zn atom tends towards the substrate to minimize the Zn-Cu distance. As a consequence, the Zn-N chemical bonding and energy levels of the molecule are significantly modified. However, charge transfer induces metallic states on the molecule and therefore is more important for the ZnPc/Cu(111) system than the structural distortions.

Molecular distortion and charge transfer effects in ZnPc/Cu(111)

KAUST Repository

Amin, B.

2013-04-23

The adsorption geometry and electronic properties of a zinc-phthalocyanine molecule on a Cu(111) substrate are studied by density functional theory. In agreement with experiment, we find remarkable distortions of the molecule, mainly as the central Zn atom tends towards the substrate to minimize the Zn-Cu distance. As a consequence, the Zn-N chemical bonding and energy levels of the molecule are significantly modified. However, charge transfer induces metallic states on the molecule and therefore is more important for the ZnPc/Cu(111) system than the structural distortions.

Corrections to the density-functional theory electronic spectrum: Copper phthalocyanine

DEFF Research Database (Denmark)

Vazquez, Hector; Jelinek, P.; Brandbyge, Mads

2009-01-01

A method for improving the electronic spectrum of standard Density-Functional Theory (DFT) calculations (i.e., LDA or GGA approximations) is presented, and its application is discussed for the case of the copper phthalocyanine (CuPc) molecule. The method is based on a treatment of exchange...... and correlation in a many-body Hamiltonian, and it leads to easy-to-evaluate corrections to the DFT eigenvalues. Self-interaction is largely corrected, so that the modified energy levels do not suffer from spurious crossings, as often encountered for CuPc in DFT, and they remedy the standard underestimation...... or semiempirical functionals for molecular levels, it can be easily applied to any local-orbital DFT approach, improving on several important limitations of standard DFT methods....

Half-metallic ferromagnetism in Cu-doped zinc-blende ZnO from first principles study

International Nuclear Information System (INIS)

Li, X.F.; Zhang, J.; Xu, B.; Yao, K.L.

2012-01-01

Electronic structures and magnetism of Cu-doped zinc-blende ZnO have been investigated by the first-principle method based on density functional theory (DFT). The results show that Cu can induce stable ferromagnetic ground state. The magnetic moment of supercell including single Cu atom is 1.0 μ B . Electronic structure shows that Cu-doped zinc-blende ZnO is a p-type half-metallic ferromagnet. The half-metal property is mainly attribute to the crystal field splitting of Cu 3d orbital, and the ferromagnetism is dominated by the hole-mediated double exchange mechanism. Therefore, Cu-doped zinc-blende ZnO should be useful in semiconductor spintronics and other applications. - Highlights: → Magnetism of Cu-doped zinc-blende ZnO. → Cu-doped zinc-blende ZnO shows interesting half-metal character. → Total energies calculations reveal that Cu can induce ferromagnetic ground state. → Ferromagnetism dominated by the hole-mediated double exchange mechanism.

Synchrotron-based measurements of the electronic structure of the organic semiconductor copper phthalocyanine

International Nuclear Information System (INIS)

Downes, J.E.

2004-01-01

Full text: Copper phthalocyanine (CuPc) is a prototypical molecular organic semiconductor that is currently used in the construction of many organic electronic devices such as organic light emitting diodes (OLEDs). Although the material is currently being used, and despite many experimental and theoretical studies, it's detailed electronic structure is still not completely understood. This is likely due to two key factors. Firstly, the interaction of the Cu 3d and phthalocyanine ligand 2p electrons leads to the formation of a complex arrangement of localized and delocalized states near the Fermi level. Secondly, thin films of the material are subject to damage by the photon beam used to make measurements of their electronic structure. Using the synchrotron-based techniques of soft x-ray emission spectroscopy (XES) and x-ray photoemission spectroscopy (XPS), we have measured the detailed electronic structure of in-situ grown thin film samples of CuPc. Beam damage was minimized by continuous translation of the sample during data acquisition. The results obtained differ significantly from previous XES and ultraviolet photoemission measurements, but are in excellent agreement with recent density functional calculations. The reasons for these discrepancies will be explained, and their implications for future measurements on similar materials will be explored

Unexpected strong magnetism of Cu doped single-layer MoS₂ and its origin.

Science.gov (United States)

Yun, Won Seok; Lee, J D

2014-05-21

The magnetism of the 3d transition-metal (TM) doped single-layer (1L) MoS2, where the Mo atom is partially replaced by the 3d TM atom, is investigated using the first-principles density functional calculations. In a series of 3d TM doped 1L-MoS2's, the induced spin polarizations are negligible for Sc, Ti, and Cr dopings, while the induced spin polarizations are confirmed for V, Mn, Fe, Co, Ni, Cu, and Zn dopings and the systems become magnetic. Especially, the Cu doped system shows unexpectedly strong magnetism although Cu is nonmagnetic in its bulk state. The driving force is found to be a strong hybridization between Cu 3d states and 3p states of neighboring S, which results in an extreme unbalanced spin-population in the spin-split impurity bands near the Fermi level. Finally, we also discuss further issues of the Cu induced magnetism of 1L-MoS2 such as investigation of additional charge states, the Cu doping at the S site instead of the Mo site, and the Cu adatom on the layer (i.e., 1L-MoS2).

Effects of CuO co-doping on γ-ray irradiation resistance of active ions doped phosphate glasses

Energy Technology Data Exchange (ETDEWEB)

Zhang, Zhihuan [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); ENEA-UTTMAT, Via Anguillarese 301, 00123 Rome (Italy); Baccaro, Stefania; Cemmi, Alessia [ENEA-UTTMAT, Via Anguillarese 301, 00123 Rome (Italy); Shen, Wei [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Chen, Guorong, E-mail: grchen@ecust.edu.cn [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China)

2013-09-15

The effect of copper ion doping on the γ-ray irradiation resistance of Mn{sup 2+} and Pr{sup 3+} doped phosphate glasses has been studied. UV–visible transmission spectra and photoluminescence spectra have been measured before and after γ-irradiation to characterize the radiation-induced defects. The electron paramagnetic resonance spectra of the irradiated samples with, and without Cu ions have been compared to show the ability of Cu ions to suppress the generation of radiation-induced color centers. The differential transmission spectra and the radiation-induced absorption coefficients have also been calculated for discussion of the observed phenomena. The much improved γ-irradiation resistance of Mn{sup 2+} and Pr{sup 3+} doped phosphate glasses has been demonstrated through CuO co-doping.

Electroluminescent Cu-doped CdS quantum dots

NARCIS (Netherlands)

Stouwdam, J.W.; Janssen, R.A.J.

2009-01-01

Incorporating Cu-doped CdS quantum dots into a polymer host produces efficient light-emitting diodes. The Cu dopant creates a trap level that aligns with the valence band of the host, enabling the direct injection of holes into the quantum dots, which act as emitters. At low current densities, the

Antimicrobial activity and biocompatibility of Ag{sup +}- and Cu{sup 2+}-doped biphasic hydroxyapatite/α-tricalcium phosphate obtained from hydrothermally synthesized Ag{sup +}- and Cu{sup 2+}-doped hydroxyapatite

Energy Technology Data Exchange (ETDEWEB)

Radovanović, Željko, E-mail: zradovanovic@tmf.bg.ac.rs [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade (Serbia); Jokić, Bojan; Veljović, Djordje; Dimitrijević, Suzana [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade (Serbia); Kojić, Vesna [Oncology Institute of Vojvodina, Institutski put 4, 21204 Sremska Kamenica (Serbia); Petrović, Rada; Janaćković, Djordje [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade (Serbia)

2014-07-01

Hydroxyapatite (HAp) powders doped with Ag{sup +} or Cu{sup 2+} were synthesized by a hydrothermal method in order to obtain biomaterial with an antimicrobial effect. The synthesis was performed with two contents of dopant (Ag{sup +} or Cu{sup 2+}) by considering both the antimicrobial activities and biocompatibility of the powders. The doped HAp was annealed at 1200 °C for 2 h with the intention of investigating the influence of doping with Ag{sup +} and Cu{sup 2+} on the creation of the biphasic HAp/α-tricalcium phosphate (HAp/α-TCP) and determining the antimicrobial activity and biocompatibility of the obtained biphasic powders. Analyses of all powders, undoped and doped HAp and HAp/α-TCP, were performed by Field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), atomic absorption spectroscopy (AAS) and energy-dispersive X-ray spectroscopy (EDS). The in vitro antibacterial activities of the powders were evaluated against: Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Candida albicans. All powders showed good antimicrobial activity but generally the powders of doped HAp/α-TCP had more uniform results against all pathogenic microorganisms than the powders of doped HAp. In vitro biocompatibility tests, MTT and DET, were used to evaluate the biocompatibility of Ag{sup +}- and Cu{sup 2+}-doped HAp/α-TCP with MRC-5 human fibroblast cells. These tests confirmed that powders do not have a cytotoxic effect. The HAp/α-TCP powders doped with the lower content of Ag{sup +} and Cu{sup 2+} showed especially good biocompatibility. Antimicrobial and biocompatibility tests recommend the Ag{sup +}- and Cu{sup 2+}-doped HAp/α-TCP as promising material for use in reconstructive surgery of bone.

Multicolor tunable emission induced by Cu ion doping of perovskite zirconate

Energy Technology Data Exchange (ETDEWEB)

Lee, D.J. [Department of Physics, Soongsil University, Seoul 156-743 (Korea, Republic of); Lee, Y.S., E-mail: ylee@ssu.ac.kr [Department of Physics, Soongsil University, Seoul 156-743 (Korea, Republic of); Noh, H.-J. [Department of Physics, Chonnam National University, Gwangju 500-757 (Korea, Republic of)

2016-01-15

We report on a multicolor tunable emission induced by Cu ion doping of perovskite zirconate SrZrO{sub 3} with a fairly large bandgap (5.6 eV). X-ray photoelectron spectroscopy of our samples revealed the existence of two mixed valence states of the doped Cu ions, +1 and +2, with a ratio of 3:1. In photoluminescence excitation spectroscopy the absorption structures of the 3d states in monovalent Cu{sup +} and divalent Cu{sup 2+} were identified near 5 eV and 3.5 eV, respectively. Interestingly, in relation to the valence states of the Cu ions, the emission spectra depended strongly on the photo-excitation energy (E{sub ex}). For E{sub ex}<3.8 eV (UVA) two orange and green emissions were observed with the involvement of the Cu{sup 2+} state. For E{sub ex}>3.8 eV (UVB/UVC), however, the Cu{sup +} state, instead of the Cu{sup 2+} state, was dominant in the emission process, causing the visible emission to be turned into violet. Our results were indicative of the complementary role of the different Cu-ion valence states in a wide range of visible emission with respect to E{sub ex}. - Highlights: • Visible emission induced by the Cu doping of SrZrO3. • Tunable colors from orange to violet with respect to the photo-excitation energy. • Multicolor emission should be related to the mixed valence states of the doped Cu ions.

Defects controlling electrical and optical properties of electrodeposited Bi doped Cu2O

Science.gov (United States)

Brandt, Iuri S.; Tumelero, Milton A.; Martins, Cesar A.; Plá Cid, Cristiani C.; Faccio, Ricardo; Pasa, André A.

2018-04-01

Doping leading to low electrical resistivity in electrodeposited thin films of Cu2O is a straightforward requirement for the construction of efficient electronic and energy devices. Here, Bi (7 at. %) doped Cu2O layers were deposited electrochemically onto Si(100) single-crystal substrates from aqueous solutions containing bismuth nitrate and cupric sulfate. X-ray photoelectron spectroscopy shows that Bi ions in a Cu2O lattice have an oxidation valence of 3+ and glancing angle X-ray diffraction measurements indicated no presence of secondary phases. The reduction in the electrical resistivity from undoped to Bi-doped Cu2O is of 4 and 2 orders of magnitude for electrical measurements at 230 and 300 K, respectively. From variations in the lattice parameter and the refractive index, the electrical resistivity decrease is addressed to an increase in the density of Cu vacancies. Density functional theory (DFT) calculations supported the experimental findings. The DFT results showed that in a 6% Bi doped Cu2O cell, the formation of Cu vacancies is more favorable than in an undoped Cu2O one. Moreover, from DFT data was observed that there is an increase (decrease) of the Cu2O band gap (activation energy) for 6% Bi doping, which is consistent with the experimental results.

Optical excitations in CuO2-sheets doped and undoped with electrons

International Nuclear Information System (INIS)

Tokura, Y.; Arima, T.; Koshihara, S.; Takagi, H.; Ido, T.; Ishibashi, S.; Uchida, S.

1989-01-01

This paper reports optical reflectance spectra measured on single crystals of parent families of high T c copper oxide compounds with single-layered CuO 2 -sheets, which clearly show the strong transitons across the charge-transfer (CT) gaps at 1.5-2.0 eV in various types of CuO 2 -sheets. The carrier-doping effects on the CT excitations have been investigated on the Sr-doped La 2 CuO 4 and Ce-doped Nd 2 O 4 crystals

Sensing response of copper phthalocyanine salt dispersed glass with organic vapours

Energy Technology Data Exchange (ETDEWEB)

Ridhi, R.; Sachdeva, Sheenam; Saini, G. S. S.; Tripathi, S. K., E-mail: surya@pu.ac.in [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (INDIA) Fax: +91-172-2783336; Tel.:+91-172-2544362 (India)

2016-05-06

Copper Phthalocyanine and other Metal Phthalocyanines are very flexible and tuned easily to modify their structural, spectroscopic, optical and electrical properties by either functionalizing them with various substituent groups or by replacing or adding a ligand to the central metal atom in the phthalocyanine ring and accordingly can be made sensitive and selective to various organic species or gaseous vapours. In the present work, we have dispersed Copper Phthalocyanine Salt (CuPcS) in sol-gel glass form using chemical route sol-gel method and studied its sensing mechanism with organic vapours like methanol and benzene and found that current increases onto their exposure with vapours. A variation in the activation energies was also observed with exposure of vapours.

Theory of phonon properties in doped and undoped CuO nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Bahoosh, S.G. [Institute of Physics, Martin-Luther-University, D-06099 Halle (Germany); Apostolov, A.T. [University of Architecture, Civil Engineering and Geodesy Faculty of Hydrotechnics, Department of Physics, 1, Hristo Smirnenski Blvd., 1046 Sofia (Bulgaria); Apostolova, I.N. [University of Forestry, Faculty of Forest Industry, 10, Kl. Ohridsky Blvd., 1756 Sofia (Bulgaria); Wesselinowa, J.M., E-mail: julia@phys.uni-sofia.bg [University of Sofia, Department of Physics, 5 J. Bouchier Blvd., 1164 Sofia (Bulgaria)

2012-07-02

We have studied the phonon properties of CuO nanoparticles and have shown the importance of the anharmonic spin–phonon interaction. The Raman peaks of CuO nanoparticles shift to lower frequency and become broader as the particle size decreases in comparison with those of bulk CuO crystals owing to size effects. By doping with different ions, in dependence of their radius compared to the host ionic radius the phonon energies ω could be reduced or enhanced. The phonon damping is always enhanced through the ion doping effects. -- Highlights: ► The phonon properties of CuO nanoparticles are studied using a miscroscopic model. ► The phonon energy decreases whereas the damping increases with decreasing of particle size. ► It is shown the importance of the anharmonic spin–phonon interaction. ► By doping with RE-ions the phonon energy is reduced, whereas with TM-ions it is enhanced. ► The phonon damping is always enhanced through the ion doping effects.

Oriented Mn-doped CuO nanowire arrays

International Nuclear Information System (INIS)

Han, Dongqiang; Wu, Zhaofeng; Wang, Zhihe; Yang, Shaoguang

2016-01-01

Using anodic aluminum oxide membranes as the nanoreactors and controller, oriented nanowire arrays of the diluted magnetic semiconductor Mn-doped CuO have been successfully fabricated using Mn(NO_3)_2 · 4H_2O and Cu(NO_3)_2 · 3H_2O as the starting materials. X-ray diffraction measurements showed that the as-prepared oriented nanowire arrays are of high purity. Scanning electron microscope and transmission electron microscope studies showed the nanowires are oriented, continuous and uniform with a diameter and length of about 170 nm and several tens of micrometers, respectively, and thus of a high aspect ratio. Low-temperature magnetic measurements showed the ferromagnetic property of the oriented Mn-doped CuO nanowire arrays with the critical temperature at around 80 K, which will endow them with great potential applications in spintronics in the future. (paper)

Doping mechanism in pure CuInSe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Werner, F.; Colombara, D.; Melchiorre, M.; Spindler, C.; Siebentritt, S. [Physics and Materials Science Research Unit, University of Luxembourg, Rue du Brill 41, L-4422 Belvaux (Luxembourg); Valle, N.; El Adib, B. [Materials Research and Technology Department, Luxembourg Institute of Science and Technology, Rue du Brill 41, L-4422 Belvaux (Luxembourg)

2016-05-07

We investigate the dopant concentration and majority carrier mobility in epitaxial CuInSe{sub 2} thin films for different copper-to-indium ratios and selenium excess during growth. We find that all copper-poor samples are n-type, and that hopping conduction in a shallow donor state plays a significant role for carrier transport. Annealing in sodium ambient enhances gallium in-diffusion from the substrate wafer and changes the net doping of the previously n-type samples to p-type. We suggest that sodium incorporation from the glass might be responsible for the observed p-type doping in polycrystalline Cu-poor CuInSe{sub 2} solar cell absorbers.

Conducting Polymers Functionalized with Phthalocyanine as Nitrogen Dioxide Sensors

Directory of Open Access Journals (Sweden)

S. D. Deshpande

2002-05-01

Full Text Available The conducting polymers such as polyaniline, polypyrrole and polythiophene were functionalized with copper phthalocyanine using chemical oxidation method. The obtained polymers viz. PANI-CuPc, PPy-CuPc and PT-CuPc were studied as chemical sensors by their response characteristics after exposure to various chemical vapors such as methanol, ammonia and nitrogen dioxide. The results obtained showed that these polymers have moderate sensitivity towards the methanol as well as ammonia vapors whereas they show tremendous sensitivity towards nitrogen dioxide vapors. The sensitivity factor of as high as 50,000 was obtained for PT-CuPc polymers in nitrogen dioxide. In comparison to this, the sensitivity factors of about 100 and 40 were obtained, when these polymers were exposed to ammonia and methanol vapors. The very high selectivity towards the nitrogen dioxide was explained on the basis of charge transfer complex formed between, the phthalocyanine donor and nitrogen dioxide acceptor molecules. On the other hand, ammonia becomes a competing electron donor in CuPc containing conducting polymers. The very low response towards the methanol may be explained on the basis very little charge transfer / interaction between CuPc containing polymers and methanol. Thus, CuPc incorporated conducting polymers have much higher selectivity than their original homopolymer.

Novel homo- and heterobinuclear ball-type phthalocyanines: synthesis and electrochemical, electrical, EPR and MCD spectral properties.

Science.gov (United States)

Odabaş, Zafer; Dumludağ, Fatih; Ozkaya, Ali Riza; Yamauchi, Seigo; Kobayashi, Nagao; Bekaroğlu, Ozer

2010-09-21

The mononuclear Fe(II) phthalocyanine 2 and ball-type homobinuclear Fe(II)-Fe(II) and Cu(II)-Cu(II) phthalocyanines, 3 and 4 respectively, were synthesized from the corresponding 4,4'-[1,1'-methylenebis-(naphthalene-2,1-diyl)]bis(oxy)diphthalonitrile 1, and then ball-type heterobinuclear Fe(II)-Cu(II) phthalocyanine 5 was synthesized from 2. The novel compounds 4 and 5 have been characterized by elemental analysis, UV/vis, IR and MALDI-TOF mass spectroscopies. Electron paramagnetic resonance and magnetic circular dichroism measurements of 3, 4 and 5 were also examined. The voltammetric measurements of the complexes showed the formation of various electrochemically stable ligand- and metal-based mixed-valence species, due to the intramolecular interactions between the two MPc units, especially in ball-type binuclear iron(II) phthalocyanine. Impedance spectroscopy and d.c. conductivity measurements of 4 and 5 were performed as a function of temperature (295-523 K) and frequency (40-10(5) Hz). While room temperature impedance spectra consist of a curved line, a transformation into a full semicircle with increasing temperature was observed for both compounds.

Structural and optical properties of ITO and Cu doped ITO thin films

Science.gov (United States)

Chakraborty, Deepannita; Kaleemulla, S.; Rao, N. Madhusudhana; Subbaravamma, K.; Rao, G. Venugopal

2018-04-01

(In0.95Sn0.05)2O3 and (In0.90Cu0.05Sn0.05)2O3 thin films were coated onto glass substrate by electron beam evaporation technique. The structural and optical properties of ITO and Cu doped ITO thin films have been studied by X-ray diffractometer (XRD) and UV-Vis-NIR spectrophotometer. The crystallite size obtained for ITO and Cu doped ITO thin films was in the range of 24 nm to 22 nm. The optical band gap of 4 eV for ITO thin film sample has been observed. The optical band gap decreases to 3.85 eV by doping Cu in ITO.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-06-15

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

Functionalization of nanocrystalline diamond films with phthalocyanines

Energy Technology Data Exchange (ETDEWEB)

Petkov, Christo [Institute of Nanostructure Technologies and Analytics (INA), Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany); Reintanz, Philipp M. [Institute of Chemistry, Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany); Kulisch, Wilhelm [Institute of Nanostructure Technologies and Analytics (INA), Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany); Degenhardt, Anna Katharina [Institute of Chemistry, Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany); Weidner, Tobias [Max Planck Institute for Polymer Research, Mainz (Germany); Baio, Joe E. [School of Chemical, Biological and Environmental Engineering, Oregon State University, Corvallis, OR (United States); Merz, Rolf; Kopnarski, Michael [Institut für Oberflächen- und Schichtanalytik (IFOS), Kaiserslautern (Germany); Siemeling, Ulrich [Institute of Chemistry, Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany); Reithmaier, Johann Peter [Institute of Nanostructure Technologies and Analytics (INA), Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany); Popov, Cyril, E-mail: popov@ina.uni-kassel.de [Institute of Nanostructure Technologies and Analytics (INA), Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany)

2016-08-30

Highlights: • Grafting of phthalocyanines on nanocrystalline diamond films with different terminations. • Pc with different central atoms and side chains synthesized and characterized. • Attachment of Pc on H- and O-terminated NCD studied by XPS and NEXAFS spectroscopy. • Orientation order of phthalocyanine molecules on NCD surface. - Abstract: Phthalocyanine (Pc) derivatives containing different central metal atoms (Mn, Cu, Ti) and different peripheral chains were synthesized and comprehensively characterized. Their interaction with nanocrystalline diamond (NCD) films, as-grown by hot-filament chemical vapor deposition or after their modification with oxygen plasma to exchange the hydrogen termination with oxygen-containing groups, was studied by X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The elemental composition as determined by XPS showed that the Pc were grafted on both as-grown and O-terminated NCD. Mn, Cu and Ti were detected together with N stemming from the Pc ring and S in case of the Ti-Pc from the peripheral ligands. The results for the elemental surface composition and the detailed study of the N 1s, S 2p and O 1s core spectra revealed that Ti-Pc grafted better on as-grown NCD but Cu-Pc and Mn-Pc on O-terminated films. Samples of Mn-Pc on as-grown and O-terminated NCD were further investigated by NEXAFS spectroscopy. The results showed ordering of the grafted molecules, laying flat on the H-terminated NCD surface while only the macrocycles were oriented parallel to the O-terminated surface with the peripheral chains perpendicular to it.

Theoretical studies on the possible sensitizers of DSSC: Nanocomposites of graphene quantum dot hybrid phthalocyanine/tetrabenzoporphyrin/tetrabenzotriazaporphyrins/cis-tetrabenzodiazaporphyrins/tetrabenzomonoazaporphyrins and their Cu-metallated macrocycles

Science.gov (United States)

Gao, Feng; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang

2018-04-01

The feasibility of nanocomposites of cir-coronene graphene quantum dot (GQD) with phthalocyanine, tetrabenzoporphyrin, tetrabenzotriazaporphyrins, cis-tetrabenzodiazaporphyrins, tetrabenzomonoazaporphyrins and their Cu-metallated macrocycles as a sensitizer of dye-sensitized solar cells (DSSC) are investigated. Based on the first principles density functional theory (DFT), the geometrical structures of the separate GQD and 10 macrocycles, and their hybridized nanocomposites are fully optimized. The energy stabilities of the obtained structures are confirmed by harmonic frequency analysis. The optical absorptions of the optimized structures are calculated with time-dependent DFT. The feasibility of the nanocomposites as the sensitizer of DSSC is examined by the charge spatial separation, the electron transfer, the molecular orbital energy levels of the nanocomposites and the electrolyte, and the conduction band minimum of TiO2 electrode. The results demonstrate that all the nanocomposites have enhanced absorptions in the visible light range, and their molecular orbital energies satisfy the requirement of sensitizers. However, only two of the ten considered nanocomposites demonstrate significantly charge spatial separation. The GQD-Cu-TBP is identified as the most favorable candidate sensitizer of DSSC by the most enhanced in optical absorption, obvious charge spatial separation, suitable LUMO energy levels and driving force for electron transfer, and low recombination rate of electron and hole.

Structural, optical, magnetic and photocatalytic properties of Co doped CuS diluted magnetic semiconductor nanoparticles

International Nuclear Information System (INIS)

Sreelekha, N.; Subramanyam, K.; Amaranatha Reddy, D.; Murali, G.; Ramu, S.; Rahul Varma, K.; Vijayalakshmi, R.P.

2016-01-01

Highlights: • Cu_1_−_xCo_xS nanoparticles were synthesized via chemical co-precipitation method. • Structural, band gap, magnetization and photocatalysis studies were carried out. • All the doped samples exhibited intrinsic room temperature ferromagnetism. • Effect of magnetic properties on photocatalytic activity was analyzed. • CuS:Co nanoparticles may find applications in photocatalytic and spintronic devices. - Abstract: Pristine and Co doped covellite CuS nanoparticles were synthesized in aqueous solution by facile chemical co-precipitation method with Ethylene Diamine Tetra Acetic Acid (EDTA) as a stabilizing agent. EDAX measurements confirmed the presence of Co in the CuS host lattice. Hexagonal crystal structure of pure and Co doped CuS nanoparticles were authenticated by XRD patterns. TEM images indicated that sphere-shape of nanoparticles through a size ranging from 5 to 8 nm. The optical absorption edge moved to higher energies with increase in Co concentration as indicated by UV–vis spectroscopy. Magnetic measurements revealed that bare CuS sample show sign of diamagnetic character where as in Co doped nanoparticles augmentation of room temperature ferromagnetism was observed with increasing doping precursor concentrations. Photocatalytic performance of the pure and Co doped CuS nanoparticles were assessed by evaluating the degradation rate of rhodamine B solution under sun light irradiation. The 5% Co doped CuS nanoparticles provide evidence for high-quality photocatalytic activity.

Structural, optical, magnetic and photocatalytic properties of Co doped CuS diluted magnetic semiconductor nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Sreelekha, N.; Subramanyam, K. [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India); Department of Physics, Raghu Engineering College, Visakhapatnam, Andrapradesh 531162 (India); Amaranatha Reddy, D. [Department of Chemistry and Chemical Institute for Functional Materials, Pusan National University, Busan 609735 (Korea, Republic of); Murali, G. [Department of BIN Fusion Technology & Department of Polymer-Nano Science and Technology, Chonbuk National University, Jeonju, Jeonbuk (Korea, Republic of); Ramu, S. [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India); Rahul Varma, K. [Department of Mechanical Engineering, University of California, Berkeley (United States); Vijayalakshmi, R.P., E-mail: vijayaraguru@gmail.com [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India)

2016-08-15

Highlights: • Cu{sub 1−x}Co{sub x}S nanoparticles were synthesized via chemical co-precipitation method. • Structural, band gap, magnetization and photocatalysis studies were carried out. • All the doped samples exhibited intrinsic room temperature ferromagnetism. • Effect of magnetic properties on photocatalytic activity was analyzed. • CuS:Co nanoparticles may find applications in photocatalytic and spintronic devices. - Abstract: Pristine and Co doped covellite CuS nanoparticles were synthesized in aqueous solution by facile chemical co-precipitation method with Ethylene Diamine Tetra Acetic Acid (EDTA) as a stabilizing agent. EDAX measurements confirmed the presence of Co in the CuS host lattice. Hexagonal crystal structure of pure and Co doped CuS nanoparticles were authenticated by XRD patterns. TEM images indicated that sphere-shape of nanoparticles through a size ranging from 5 to 8 nm. The optical absorption edge moved to higher energies with increase in Co concentration as indicated by UV–vis spectroscopy. Magnetic measurements revealed that bare CuS sample show sign of diamagnetic character where as in Co doped nanoparticles augmentation of room temperature ferromagnetism was observed with increasing doping precursor concentrations. Photocatalytic performance of the pure and Co doped CuS nanoparticles were assessed by evaluating the degradation rate of rhodamine B solution under sun light irradiation. The 5% Co doped CuS nanoparticles provide evidence for high-quality photocatalytic activity.

Cu k-edge studies of the charge carries in Th-doped cuprate system R2-xThxCuO4-δ (R = Nd, Sm and Gd)

International Nuclear Information System (INIS)

Liang, G.; Yi, Y.; Jardim, R.F.; Wang, L.V.

1999-01-01

To further study the charge carrier concentration in electron doped cuprate superconductors, a systematic x-ray absorption near edge structure (XANES) measurement has been carried out on Th-doped superconductor system R 2-x Th x CuO 4-δ (R = Nd, Sm, and Gd). The XANES results show that, similar to the Ce-doped compounds, while the intensity of the Cu 1+ 4p π feature increase with the increase of the Th doping level x, the intensities of the Cu 2+ 4p π and 4p σ features decreases. This clearly indicates that the electrons doped by the Th atoms are injected into the local Cu 3d-orbitals. The normalized Cu 1+ 4p π intensity data show that the Cu 1+ concentration in the Th-doped compound series with different R-elements is linearly proportional to the Th doping-level x. The data suggest that both Ce and Th donate the same fraction of electrons into the Cu sites

The optoelectronic properties and role of Cu concentration on the structural and electrical properties of Cu doped ZnO nanoparticles

Science.gov (United States)

Omri, K.; Bettaibi, A.; Khirouni, K.; El Mir, L.

2018-05-01

In the current study, we synthesized a Cu-doped ZnO (CZO) nanoparticles material using a sol-gel method with different doping concentrations of Cu (0, 2, 3 and 4 at.%). The control of the Cu concentration on structural, electrical and optical properties of CZO nanoparticles was investigated in detail. The XRD analysis of the CZO nanoparticles reveals the formation of ZnO hexagonal wurtzite structure for all samples which confirm the incorporation of Cu2+ ions into the ZnO lattice by substitution. Furthermore, CZO nanoparticles showed a small red shift of absorption band with the incorporation of Cu from 0 to 4 at.%; i.e. a decreased band gap value from 3.34 eV to 3.27 eV with increasing of Cu doping content. The frequency dispersion of the electric conductivity were studied using the Jonscher universal power law, according to relation σ(ω) = σDC + A ωs(T). Alternative current conductivity increases with increasing Cu content in spite of the decrease the activation energy with copper loading. It was found that the conductivity reached its maximum value for critical Cu concentration of 3 at.%. The frequency relaxation phenomenon was also investigated and all results were discussed in term of the copper doping concentration.

Cu-Doping Effects in CdI(2) Nanocrystals: The Role of Cu-Agglomerates.

Science.gov (United States)

Miah, M Idrish

2008-11-22

Cu-doping effects in CdI(2) nanocrystals are studied experimentally. We use the photostimulated second harmonic generation (PSSHG) as a tool to investigate the effects. It is found that the PSSHG increases with increasing Cu content up to 0.6% and then decreases due to the formation of the Cu-agglomerates. The PSSHG for the crystal with Cu content higher than 1% reduces to that for the undoped CdI(2) crystal. The results suggest that a crucial role of the Cu-metallic agglomerates is involved in the processes as responsible for the observed effects.

Cu-Doping Effects in CdI2Nanocrystals: The Role of Cu-Agglomerates

Directory of Open Access Journals (Sweden)

Miah M

2008-01-01

Full Text Available Abstract Cu-doping effects in CdI2nanocrystals are studied experimentally. We use the photostimulated second harmonic generation (PSSHG as a tool to investigate the effects. It is found that the PSSHG increases with increasing Cu content up to 0.6% and then decreases due to the formation of the Cu-agglomerates. The PSSHG for the crystal with Cu content higher than 1% reduces to that for the undoped CdI2crystal. The results suggest that a crucial role of the Cu-metallic agglomerates is involved in the processes as responsible for the observed effects.

Magnetic and structural study of Cu-doped TiO2 thin films

International Nuclear Information System (INIS)

Torres, C.E. Rodriguez; Golmar, F.; Cabrera, A.F.; Errico, L.; Navarro, A.M. Mudarra; Renteria, M.; Sanchez, F.H.; Duhalde, S.

2007-01-01

Transparent pure and Cu-doped (2.5, 5 and 10 at.%) anatase TiO 2 thin films were grown by pulsed laser deposition technique on LaAlO 3 substrates. The samples were structurally characterized by X-ray absorption spectroscopy and X-ray diffraction. The magnetic properties were measured using a SQUID. All films have a FM-like behaviour. In the case of the Cu-doped samples, the magnetic cycles are almost independent of the Cu concentration. Cu atoms are forming CuO and/or substituting Ti in TiO 2 . The thermal treatment in air promotes the CuO segregation. Since CuO is antiferromagnetic, the magnetic signals present in the films could be assigned to Cu substitutionally replacing cations in TiO 2

Tin-phthalocyanine adsorption and diffusion on Cu and Au (111) surfaces: A density functional theory study

Science.gov (United States)

Qin, Dan; Ge, Xu-Jin; Lü, Jing-Tao

2018-05-01

Through density functional theory based calculations, we study the adsorption and diffusion of tin phthalocyanine (SnPc) molecule on Au(111) and Cu(111) surfaces. SnPc has two conformers with Sn pointing to the vacuum (Sn-up) and substrate (Sn-down), respectively. The binding energies of the two conformers with different adsorption sites on the two surfaces, including top, bridge, fcc, hcp, are calculated and compared. It is found that the SnPc molecule binds stronger on Cu(111) surface, with binding energy about 1 eV larger than that on Au(111). Only the bridge and top adsorption sites are stable on Cu(111), while all the four adsorption sites are stable on Au(111), with small diffusion barriers between them. Moreover, the flipping barrier from Sn-up to Sn-down conformer is of the same magnitude on the two metal surfaces. These results are consistent with a recent experiment [Zhang, et al., Angew. Chem., 56, 11769 (2017)], which shows that conformation change from Sn-up to Sn-down on Cu(111) surface can be induced by a C60-functionalized STM tip, while similar change is difficult to realize on Au(111), due to smaller diffusion barrier on Au(111).

Doping dependent room-temperature ferromagnetism and structural properties of dilute magnetic semiconductor ZnO:Cu2+ nanorods

International Nuclear Information System (INIS)

Sharma, Prashant K.; Dutta, Ranu K.; Pandey, Avinash C.

2009-01-01

Copper doped ZnO nanoparticles were synthesized by the chemical technique based on the hydrothermal method. The crystallite structure, morphology and size were determined by X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) and scanning electron microscopy (SEM) for different doping percentages of Cu 2+ (1-10%). TEM/SEM images showed formation of uniform nanorods, the aspect ratio of which varied with doping percentage of Cu 2+ . The wurtzite structure of ZnO gradually degrades with the increasing Cu 2+ doping concentration and an additional CuO associated diffraction peak was observed above 8% of Cu 2+ doping. The change in magnetic behavior of the nanoparticles of ZnO with varying Cu 2+ doping concentrations was investigated using a vibrating sample magnetometer (VSM). Initially these nanoparticles showed strong room-temperature ferromagnetic behavior, however at higher doping percentage of copper the ferromagnetic behavior was suppressed and paramagnetic nature was enhanced.

Influence of nitrogen-doping concentration on the electronic structure of CuAlO{sub 2} by first-principles studies

Energy Technology Data Exchange (ETDEWEB)

Liu, Wei-wei, E-mail: zmliuwwliu@126.com; Chen, Hong-xia; Liu, Cheng-lin; Wang, Rong

2017-02-05

Effect of N doping concentration on the electronic structure of N-doped CuAlO{sub 2} was investigated by density functional theory based on generalized-gradient approximation plus orbital potential. Lattice parameters a and c both increase with increasing N-doping concentration. Formation energies increase with increasing N doping concentration and all N-doped CuAlO{sub 2} were structurally stable. The calculated band gaps for N-doped CuAlO{sub 2} narrowed compared to pure CuAlO{sub 2}, which was attributed to the stronger hybridization between Cu-3d and N-2p states and the downward shift of Cu-3p states in conduction bands. The higher the N-doping concentration is, the narrower the band gap. N-doped CuAlO{sub 2} shows a typical p-type semiconductor. The band structure changed from indirect to direct after N doping which will benefit the application of the CuAlO{sub 2} materials in optoelectronic and electronic devices. - Highlights: • Electronic structures of CuAlO{sub 2} with different N content were investigated. • The higher the N-doping concentration is, the narrower the band gap. • All the CuAlO{sub 2} with different N content were structurally stable. • The N-doped CuAlO{sub 2} shows a typical p-type semiconductor characteristic.

Investigations on structural, vibrational and dielectric properties of nanosized Cu doped Mg-Zn ferrites

Energy Technology Data Exchange (ETDEWEB)

Yadav, Anand [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Department of Physics, MEDICAPS Institute of Science and Technology, Pithampur 453331 (India); Rajpoot, Rambabu; Dar, M. A.; Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com, E-mail: anand.212@gmail.com [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India)

2016-05-23

Transition metal Cu{sup 2+} doped Mg-Zn ferrite [Mg{sub 0.5}Zn{sub 0.5-x}Cu{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 0.5)] were prepared by sol gel auto combustion (SGAC) method to probe the structural, vibrational and electrical properties. X-ray diffraction (XRD) pattern reveals a single-phase cubic spinel structure without the presence of any secondary phase corresponding to other structure. The average particle size of the parent Mg{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} is found to be ~29.8 nm and is found to increase with Cu{sup 2+} doping. Progressive reduction in lattice parameter of Mg{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} has been observed due to difference in ionic radii of cations with improved Cu doping. Spinel cubic structure is further confirmed by Raman spectroscopy. Small shift in Raman modes towards higher wave number has been observed in doped Mg-Zn ferrites. The permittivity and dielectric loss decreases at lower doping and increases at higher order doping of Cu{sup 2+}.

Spectroscopic investigation of sulfonate phthalocyanine to probe enzyme reactions for heavy metals detection

Energy Technology Data Exchange (ETDEWEB)

Chaure, Shweta; Paul, Deepen; Vadagma, Pankaj [School of Engineering and Material Science, Queen Mary, University of London, London E1 4NS (United Kingdom); Ray, Asim K., E-mail: a.k.ray@qmul.ac.uk [School of Engineering and Material Science, Queen Mary, University of London, London E1 4NS (United Kingdom)

2010-01-15

Optical absorption and Raman spectra of the sulfonated copper phthalocyanine (CuTsPc) layer were exploited for detection of cadmium (Cd) contaminants in water. Acetylcholine esterase was immobilized by freely suspending them in calcium alginate microbeads and this gel was then spincoated on the drop cast sulfonated copper phthalocyanine film on a glass substrate to form a bilayer. The inhibition of catalytic reaction between acetylcholine chloride and enzyme due to Cd contaminants was monitored by recording changes in spectra of drop cast CuTsPc as an indicator. The detection limit of cadmium content in water was found to be 1 ppm.

Spectroscopic investigation of sulfonate phthalocyanine to probe enzyme reactions for heavy metals detection

International Nuclear Information System (INIS)

Chaure, Shweta; Paul, Deepen; Vadagma, Pankaj; Ray, Asim K.

2010-01-01

Optical absorption and Raman spectra of the sulfonated copper phthalocyanine (CuTsPc) layer were exploited for detection of cadmium (Cd) contaminants in water. Acetylcholine esterase was immobilized by freely suspending them in calcium alginate microbeads and this gel was then spincoated on the drop cast sulfonated copper phthalocyanine film on a glass substrate to form a bilayer. The inhibition of catalytic reaction between acetylcholine chloride and enzyme due to Cd contaminants was monitored by recording changes in spectra of drop cast CuTsPc as an indicator. The detection limit of cadmium content in water was found to be 1 ppm.

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-10-15

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

Structural, thermal and optical properties of Cu 2 + doped ...

Indian Academy of Sciences (India)

Pure and Cu 2 + doped methacrylic acid–ethyl acrylate (MAA:EA) copolymer films were prepared using thesolution cast technique. The amorphous feature of the copolymer was depicted using X-ray diffraction scans and degreeof crystallinity was found to vary with increasing doping content. UV–Vis absorption spectra in ...

Ag- and Cu-doped multifunctional bioactive nanostructured TiCaPCON films

Energy Technology Data Exchange (ETDEWEB)

Shtansky, D.V., E-mail: shtansky@shs.misis.ru [National University of Science and Technology “MISIS”, Leninsky prospekt 4, Moscow 119049 (Russian Federation); Batenina, I.V.; Kiryukhantsev-Korneev, Ph.V.; Sheveyko, A.N.; Kuptsov, K.A. [National University of Science and Technology “MISIS”, Leninsky prospekt 4, Moscow 119049 (Russian Federation); Zhitnyak, I.Y.; Anisimova, N.Yu.; Gloushankova, N.A. [N.N. Blokhin Russian Cancer Research Center of RAMS, Kashirskoe shosse 24, Moscow 115478 (Russian Federation)

2013-11-15

A key property of multicomponent bioactive nanostructured Ti(C,N)-based films doped with Ca, P, and O (TiCaPCON) that can be improved further is their antibacterial effect that should be achieved without compromising the implant bioactivity and biocompatibility. The present work is focused on the study of structure, chemical, mechanical, tribological, and biological properties of Ag- and Cu-doped TiCaPCON films. The films with Ag (0.4–4 at.%) and Cu (13 at.%) contents were obtained by simultaneous sputtering of a TiC{sub 0.5}–Ca{sub 3}(PO{sub 4}){sub 2} target and either an Ag or a Cu target. The film structure was studied using X-ray diffraction, transmission and scanning electron microscopy, energy dispersive X-ray spectroscopy, glow discharge optical emission spectroscopy, and Raman-shift and IR spectroscopy. The films were characterized in terms of their hardness, elastic modulus, dynamic impact resistance, friction coefficient and wear rate (both in air and normal saline), surface wettability, electrochemical behavior and Ag or Cu ion release in normal saline. Particular attention was paid to the influence of inorganic bactericides (Ag and Cu ions) on the bactericidal activity against unicellular yeast fungus Saccharomyces cerevisiae and gram-positive bacteria Lactobacillus acidophilus, as well as on the attachment, spreading, actin cytoskeleton organization, focal adhesions, and early stages of osteoblastic cell differentiation. The obtained results show that the Ag-doped films are more suitable for the protection of metallic surfaces against bacterial infection compared with their Cu-doped counterpart. In particular, an excellent combination of mechanical, tribological, and biological properties makes Ag-doped TiCaPCON film with 1.2 at.% of Ag very attractive material for bioengineering and modification of load-bearing metal implant surfaces.

Safe-by-Design CuO Nanoparticles via Fe-Doping, Cu-O Bond Length Variation, and Biological Assessment in Cells and Zebrafish Embryos.

Science.gov (United States)

Naatz, Hendrik; Lin, Sijie; Li, Ruibin; Jiang, Wen; Ji, Zhaoxia; Chang, Chong Hyun; Köser, Jan; Thöming, Jorg; Xia, Tian; Nel, Andre E; Mädler, Lutz; Pokhrel, Suman

2017-01-24

The safe implementation of nanotechnology requires nanomaterial hazard assessment in accordance with the material physicochemical properties that trigger the injury response at the nano/bio interface. Since CuO nanoparticles (NPs) are widely used industrially and their dissolution properties play a major role in hazard potential, we hypothesized that tighter bonding of Cu to Fe by particle doping could constitute a safer-by-design approach through decreased dissolution. Accordingly, we designed a combinatorial library in which CuO was doped with 1-10% Fe in a flame spray pyrolysis reactor. The morphology and structural properties were determined by XRD, BET, Raman spectroscopy, HRTEM, EFTEM, and EELS, which demonstrated a significant reduction in the apical Cu-O bond length while simultaneously increasing the planar bond length (Jahn-Teller distortion). Hazard screening was performed in tissue culture cell lines and zebrafish embryos to discern the change in the hazardous effects of doped vs nondoped particles. This demonstrated that with increased levels of doping there was a progressive decrease in cytotoxicity in BEAS-2B and THP-1 cells, as well as an incremental decrease in the rate of hatching interference in zebrafish embryos. The dissolution profiles were determined and the surface reactions taking place in Holtfreter's solution were validated using cyclic voltammetry measurements to demonstrate that the Cu + /Cu 2+ and Fe 2+ /Fe 3+ redox species play a major role in the dissolution process of pure and Fe-doped CuO. Altogether, a safe-by-design strategy was implemented for the toxic CuO particles via Fe doping and has been demonstrated for their safe use in the environment.

The role of molecular architecture and layer composition on the properties and performance of CuPc-C6 photovoltaic devices

International Nuclear Information System (INIS)

Schultes, S.M.; Sullivan, P.; Heutz, S.; Sanderson, B.M.; Jones, T.S.

2005-01-01

We have studied the effects of molecular architecture, co-deposition and annealing on the properties and performance of photovoltaic cells based on copper phthalocyanine (CuPc)-fullerene (C 6 ) heterojunctions. Significant improvements in performance are achieved when mixed CuPc:C 6 layers are incorporated into the device structure due to the creation of an intermolecularly mixed donor (D)-acceptor (A) blend that favours efficient exciton dissociation. We utilise the control afforded by organic molecular beam deposition to show that the mixed-layer composition plays an important role in determining device performance and correlate device efficiency to the morphological and spectroscopic properties of the organic layers. A maximum power conversion efficiency of η p = 1.17% is achieved for devices containing a mixed layer of ratio 75:25 CuPc:C 6 surrounded by thin continuous layers of pure organic material at the electrode interfaces. A structure containing a compositional gradient where the CuPc:C 6 composition is varied from purely D to purely A via three mixed layers of increasing A composition leads to a further improvements in efficiency (η p = 1.36%). Finally, we use thermal annealing to show how structural defects and morphological templating of organic thin films reduces the interfacial area for exciton separation and yields poor device performance

Photoelectrochemical oxidation of ibuprofen via Cu_2O-doped TiO_2 nanotube arrays

International Nuclear Information System (INIS)

Sun, Qiannan; Peng, Yen-Ping; Chen, Hanlin; Chang, Ken-Lin; Qiu, Yang-Neng; Lai, Shiau-Wu

2016-01-01

Highlights: • A p–n junction material was synthesized to enhance photocatalytic ability. • Cu_2O-doped TiO_2 nanotube arrays works as a photoanode in a PEC system. • Recombination of photo-generated holes and electrons were greatly reduced. • Synergetic effect was quantified in PEC degradation. • Recombination of photogenerated holes and electrons was greatly enhanced. - Abstract: A p–n junction based Cu_2O-doped TiO_2 nanotube arrays (Cu_2O-TNAs) were synthesized and used as a working anode in a photoelectrochemical (PEC) system. The results revealed that the Cu_2O-TNAs were dominated by the anatase phase and responded significantly to visible light. XPS analyses indicated that with an amount of 24.79% Cu doping into the structure, the band gap of Cu_2O-TNAs was greatly reduced. SEM images revealed that the supported TiO_2 nanotubes had diameters of approximately 80 nm and lengths of about 2.63 μm. Upon doping with Cu_2O, the TiO_2 nanotubes maintained their structural integrity, exhibiting no significant morphological change, favoring PEC applications. Under illumination, the photocurrent from Cu_2O/TNAs was 2.4 times larger than that from TNAs, implying that doping with Cu_2O significantly improved electron mobility by reducing the rate of recombination of electron-hole pairs. The EIS and Bode plot revealed that the estimated electron lifetimes, τ_e_l, of TNAs and Cu_2O/TNAs were 6.91 and 26.26 ms, respectively. The efficiencies of degradation of Ibuprofen by photoelectrochemical, photocatalytic (PC), electrochemical (EC) and photolytic (P) methods were measured.

Synthesis and characterization of Ce, Cu co-doped ZnS nanoparticles

International Nuclear Information System (INIS)

Harish, G.S.; Sreedhara Reddy, P.

2015-01-01

Ce, Cu co-doped ZnS nanoparticles were prepared at room temperature using a chemical co-precipitation method. The prepared nanoparticles were characterized by X- ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive analysis of X-rays (EDAX), diffuse reflectance spectroscopy (DRS), photoluminescence (PL) and high resolution Raman spectroscopic techniques. Transmission electron microscopy (TEM) and X-ray diffraction studies showed that the diameter of the particles was around 2–3 nm. Broadened XRD peaks revealed the formation of nanoparticles with a face centered cubic (fcc) structure. DRS studies confirmed that the band gap increased with an increase in the dopant concentration. The Raman spectra of undoped and Ce, Cu ions co-doped ZnS nanoparticles showed longitudinal optical mode and transverse optical mode. Compared with the Raman modes (276 and 351 cm −1 ) of undoped ZnS nanoparticles, the Raman modes of Ce, Cu co- doped ZnS nanoparticles were slightly shifted towards lower frequency. PL spectra of the samples showed remarkable enhancement in the intensity upon doping

Deposition of Cu-doped PbS thin films with low resistivity using DC sputtering

Science.gov (United States)

Soetedjo, Hariyadi; Siswanto, Bambang; Aziz, Ihwanul; Sudjatmoko

2018-03-01

Investigation of the electrical resistivity of Cu-doped PbS thin films has been carried out. The films were prepared using a DC sputtering technique. The doping was achieved by introducing the Cu dopant plate material directly on the surface of the PbS sputtering target plate. SEM-EDX data shows the Cu concentration in the PbS film to be proportional to the Cu plate diameter. The XRD pattern indicates the film is in crystalline cubic form. The Hall effect measurement shows that Cu doping yields an increase in the carrier concentration to 3.55 × 1019 cm-3 and a significant decrease in electrical resistivity. The lowest resistivity obtained was 0.13 Ωcm for a Cu concentration of 18.5%. Preferential orientation of (1 1 1) and (2 0 0) occurs during deposition.

14N nuclear quadrupole interaction in Cu(II) doped L-alanine

International Nuclear Information System (INIS)

Murgich, J.; Calvo, R.; Oseroff, S.B.; Instituto Venezolano de Investigaciones Cientificas, Caracas. Dept. de Quimica)

1980-01-01

The 14 N nuclear quadrupole interaction tensor Psub(N) measured by ENDOR in Cu(II) doped L-alanine is analyzed in terms of the Townes and Daily theory assuming a tetra-hedrally bonded N atom. The results of this analysis are compared with those for the 14 N in pure L-alanine and it is found that the principal directions of the Psub(N) tensor are drastically changed upon metal complexation as a consequence of the higher electron affinity of Cu(II) with respect to C and H. Comparison of the corresponding bond populations in pure and Cu(II) doped L-alanine indicates that the Cu draws 0.11 more electron from the N than the substituted H atom. (orig.)

Magnetic and structural study of Cu-doped TiO{sub 2} thin films

Energy Technology Data Exchange (ETDEWEB)

Torres, C.E. Rodriguez [Dpto de Fisica-IFLP, Fac. Cs. Exactas, Universidad Nacional de La Plata-CONICET, CC 67, 1900 La Plata (Argentina)], E-mail: torres@fisica.unlp.edu.ar; Golmar, F. [Laboratorio de Ablacion Laser, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, 1063 Buenos Aires (Argentina); Cabrera, A.F.; Errico, L.; Navarro, A.M. Mudarra; Renteria, M.; Sanchez, F.H. [Dpto de Fisica-IFLP, Fac. Cs. Exactas, Universidad Nacional de La Plata-CONICET, CC 67, 1900 La Plata (Argentina); Duhalde, S. [Laboratorio de Ablacion Laser, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, 1063 Buenos Aires (Argentina)

2007-10-31

Transparent pure and Cu-doped (2.5, 5 and 10 at.%) anatase TiO{sub 2} thin films were grown by pulsed laser deposition technique on LaAlO{sub 3} substrates. The samples were structurally characterized by X-ray absorption spectroscopy and X-ray diffraction. The magnetic properties were measured using a SQUID. All films have a FM-like behaviour. In the case of the Cu-doped samples, the magnetic cycles are almost independent of the Cu concentration. Cu atoms are forming CuO and/or substituting Ti in TiO{sub 2}. The thermal treatment in air promotes the CuO segregation. Since CuO is antiferromagnetic, the magnetic signals present in the films could be assigned to Cu substitutionally replacing cations in TiO{sub 2}.

Photovoltaic properties of Cu-doped CH3NH3PbI3 with perovskite structure

Science.gov (United States)

Shirahata, Yasuhiro; Oku, Takeo

2017-01-01

Photovoltaic properties of copper (Cu)-doped perovskite (CH3NH3PbCuxI3+x) photovoltaic devices with different Cu content were investigated. The CH3NH3PbCuxI3+x films were polycrystalline with a tetragonal system, and their lattice constants and crystallite size varied with Cu doping. Compared to conversion efficiencies of non-doped CH3NH3PbI3 photovoltaic device, those of CH3NH3PbCuxI3+x photovoltaic devises increased. The improvement of photovoltaic properties was attributed to partial substitution of Cu at the Pb sites.

Oxygen effects on the interfacial electronic structure of titanyl phthalocyanine film: p-Type doping, band bending and Fermi level alignment

International Nuclear Information System (INIS)

Nishi, Toshio; Kanai, Kaname; Ouchi, Yukio; Willis, Martin R.; Seki, Kazuhiko

2006-01-01

The effect of oxygen doping on titanyl phthalocyanine (TiOPc) film was investigated by ultraviolet photoelectron spectroscopy (UPS). The electronic structure of the interface formed between TiOPc films deposited on highly oriented pyrolytic graphite (HOPG) was clearly different between the films prepared in ultrahigh vacuum (UHV) and under O 2 atmosphere (1.3 x 10 -2 Pa). The film deposited in UHV showed downward band bending characteristic of n-type semiconductor, possibly due to residual impurities working as unintentional n-type dopants. On the other hand, the film deposited under O 2 atmosphere showed upward band bending characteristic of p-type semiconductor. Such trends, including the conversion from n- to p-type, are in excellent correspondence with reported field effect transistor characteristics of TiOPc, and clearly demonstrates that bulk TiOPc film was p-doped with oxygen. In order to examine the Fermi level alignment between TiOPc film and the substrate, the energy of the highest occupied molecular orbital (HOMO) of TiOPc relative to the Fermi level of the conductive substrate was determined for various substrates. The alignment between the Fermi level of conductive substrate and Fermi level of TiOPc film at fixed energy in the bandgap was not observed for the TiOPc film prepared in UHV, possibly because of insufficient charge density in the TiOPc film. This situation was drastically changed when the TiOPc film exposed to O 2 , and clear alignment of the Fermi level fixed at 0.6 eV above the HOMO with the Fermi level of the conducting substrate was observed, probably by p-type doping effect of oxygen. These are the first direct and quantitative information about bulk oxygen doping from the viewpoint of the electronic structure. These results suggest that similar band bending with Fermi level alignment may be also achieved for other organic semiconductors under practical device conditions, and also call for caution at the comparison of experimental

Spectral features and antibacterial properties of Cu-doped ZnO nanoparticles prepared by sol-gel method

International Nuclear Information System (INIS)

Samavati, Alireza; Nur, Hadi; Othaman, Z; Ismail, A F; Mustafa, M K

2016-01-01

Zn 1−x Cu x O (x = 0.00, 0.01, 0.03, and 0.05) nanoparticles are synthesized via the sol-gel technique using gelatin and nitrate precursors. The impact of copper concentration on the structural, optical, and antibacterial properties of these nanoparticles is demonstrated. Powder x-ray diffraction investigations have illustrated the organized Cu doping into ZnO nanoparticles up to Cu concentration of 5% ( x = 0.05). However, the peak corresponding to CuO for x = 0.01 is not distinguishable. The images of field emission scanning electron microscopy demonstrate the existence of a nearly spherical shape with a size in the range of 30–52 nm. Doping Cu creates the Cu–O–Zn on the surface and results in a decrease in the crystallite size. Photoluminescence and absorption spectra display that doping Cu causes an increment in the energy band gap. The antibacterial activities of the nanoparticles are examined against Escherichia coli (Gram negative bacteria) cultures using optical density at 600 nm and a comparison of the size of inhibition zone diameter. It is found that both pure and doped ZnO nanoparticles indicate appropriate antibacterial activity which rises with Cu doping. (paper)

Cobalt doped CuMnOx catalysts for the preferential oxidation of carbon monoxide

Science.gov (United States)

Dey, Subhashish; Dhal, Ganesh Chandra; Mohan, Devendra; Prasad, Ram; Gupta, Rajeev Nayan

2018-05-01

Carbon monoxide (CO) is a poisonous gas, recognized as a silent killer for the 21st century. It is produced from the partial oxidation of carbon containing compounds. The catalytic oxidation of CO receives a huge attention due to its applications in different fields. In the present work, hopcalite (CuMnOx) catalysts were synthesized using a co-precipitation method for CO oxidation purposes. Also, it was doped with the cobalt by varying concentration from 1 to 5wt%. It was observed that the addition of cobalt into the CuMnOx catalyst (by the deposition-precipitation method) improved the catalytic performance for the low-temperature CO oxidation. CuMnOx catalyst doped with 3wt% of cobalt exhibited most active performance and showed the highest activity than other cobalt concentrations. Different analytical tools (i.e. XRD, FTIR, BET, XPS and SEM-EDX) were used to characterize the as-synthesized catalysts. It was expected that the introduction of cobalt will introduce new active sites into the CuMnOx catalyst that are associated with the cobalt nano-particles. The order of calcination strategies based on the activity for cobalt doped CuMnOx catalysts was observed as: Reactive calcinations (RC) > flowing air > stagnant air. Therefore, RC (4.5% CO in air) route can be recommended for the synthesis of highly active catalysts. The catalytic activity of doped CuMnOx catalysts toward CO oxidation shows a correlation among average oxidation number of Mn and the position and the nature of the doped cobalt cation.

N–Mg dual-acceptor co-doping in CuCrO{sub 2} studied by first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Xu, Ying, E-mail: 1080071@hnust.edu.cn [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Nie, Guo-Zheng [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Zou, Daifeng [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Shenzhen Key Laboratory of Nanobiomechanics, Shenzhen Institutes of Advanced Technology, Chinese Academy of Science, Shenzhen 518055 (China); Tang, Jing-Wu [School of Physics, Hunan University of Science and Technology, Xiangtan 411201 (China); Ao, Zhimin, E-mail: Zhimin.Ao@gdut.edu.cn [Institute of Environmental Health and Pollution Control, School of Environmental Science and Engineering, Guangdong University of Technology, Guangzhou 510006 (China)

2016-11-25

In this paper, N–Mg dual-acceptor co-doping in CuCrO{sub 2} is investigated by first-principles calculations. The electronic structure and formation energies of Mg substituting Cr-site, N substituting O-site, and co-doping of both Mg on Cr-site and N on O-site in CuCrO{sub 2} are calculated. It is found that the structure with N and Mg codoped at the nearest sites has the lowest energy due to a modest attractive interaction between the two dopants. Compared with single N or Mg doped CuCrO{sub 2}, the N–Mg codoped CuCrO{sub 2} has a lower formation energy and shallower transition level. In addition, the total density of states (DOS) analysis shows that more hole states appear above the Fermi level and higher DOS for N–Mg co-doping is obtained in the N–Mg codoped CuCrO{sub 2}, which is good to enhance the p-type conductivity in CuCrO{sub 2}. - Highlights: • N–Mg dual-acceptor co-doping in CuCrO{sub 2} is investigated. • N–Mg complex has a lower formation energy and shallower transition level. • More hole states appear above the Fermi level for N–Mg co-doping. • N–Mg co-doping in CuCrO{sub 2} can be expected to have more stable p-type conductivity.

Deposition of Cu-doped PbS thin films with low resistivity using DC sputtering

Directory of Open Access Journals (Sweden)

Hariyadi Soetedjo

2018-03-01

Full Text Available Investigation of the electrical resistivity of Cu-doped PbS thin films has been carried out. The films were prepared using a DC sputtering technique. The doping was achieved by introducing the Cu dopant plate material directly on the surface of the PbS sputtering target plate. SEM-EDX data shows the Cu concentration in the PbS film to be proportional to the Cu plate diameter. The XRD pattern indicates the film is in crystalline cubic form. The Hall effect measurement shows that Cu doping yields an increase in the carrier concentration to 3.55 × 1019 cm−3 and a significant decrease in electrical resistivity. The lowest resistivity obtained was 0.13 Ωcm for a Cu concentration of 18.5%. Preferential orientation of (1 1 1 and (2 0 0 occurs during deposition. Keywords: Thin films, Lead sulfide, Sputtering, Resistivity, Semiconductor, Infrared

Synthesis and characterization of pure and Tb/Cu doped Alq3 nanostructures

International Nuclear Information System (INIS)

Salah, Numan; Habib, Sami S.; Khan, Zishan H.; Alharbi, Najlaa D.

2013-01-01

Tris (8-hydroxyquinoline) aluminum (Alq 3 ) is an organic semiconductor molecule, widely used in optoelectronic devices. In this work we report on fabricating different nanostructures of Alq 3 and characterize them using different techniques. Nanostructured films of Alq 3 were grown using the physical vapor condensation and thermal-vapor transport methods. The as synthesized films were characterized by X-ray diffraction, scanning electron microscope, energy dispersive spectroscopy and absorption spectra. Nanoparticles and nanorods/nanowires are observed in the synthesized films. Tb and Cu doped Alq 3 films were also produced and studied for their photoluminescence (PL) properties. When the original powder sample of Alq 3 was excited by 378 nm, one broad PL emission band is observed at around 515 nm. The pure nanoparticles film shows similar band with a drastic increase in the intensity by a factor of 2. This has been attributed to the large specific surface area, which might has increased the absorption and then the quantum yields. The Tb and Cu doped films show also similar band with a slight shift in the peak position to the blue region, but with further enhancement in the peak intensity, particularly that of Cu. The PL intensity of Cu doped sample is around 1.5 times stronger than that of the pure Alq 3 nanoparticles. This remarkable result on obtaining highly luminescent nanomaterial based on Cu doped Alq 3 nanoparticles film might be useful for future organic light emitting diode display devices. -- Highlights: • Films of Alq 3 nanostructures were grown using different methods. • The PL intensity of Alq 3 in its nanostructure form is enhanced by a factor of 2. • This enhancement is attributed to the large specific surface area of the nanostructures. • Films of Alq 3 nanoparticles doped with Tb and Cu showed further PL enhancement. • The Tb and Cu ions could contribute to the PL intensity of the green band of Alq3

Optical, structural and photocatalysis properties of Cu-doped TiO{sub 2} thin films

Energy Technology Data Exchange (ETDEWEB)

Bensouici, F., E-mail: fbensouici@yahoo.fr [Department of Physics, URMPE Unite, UMBB University, 35000 Boumerdes (Algeria); Bououdina, M.; Dakhel, A.A. [Department of Physics, College of Science, University of Bahrain, PO Box 32038 (Bahrain); Tala-Ighil, R.; Tounane, M.; Iratni, A. [Department of Physics, URMPE Unite, UMBB University, 35000 Boumerdes (Algeria); Souier, T. [Department of Physics, College of Science, Sultan Qaboos University, PO Box 36 (Oman); Liu, S.; Cai, W. [Key laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Technology, Center for Environmental and Energy Nanomaterials, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

2017-02-15

Highlights: • A simple chemical route to obtain thin layers of Cu doped TiO{sub 2}. • Detailed structure analysis was carried out by Rietveld refinements. • Forming the CuO phase decreases the efficiency photocatalysis of TiO{sub 2}. - Abstract: Pure and Cu{sup +2} doped TiO{sub 2} thin films have been successfully deposited onto glass substrate by sol–gel dip-coating. The films were annealed at 450 °C for 1 h and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM-EDX), atomic force microscopy (AFM), UV–vis spectrophotometer and photocatalytic degradation of methylene blue. XRD confirmed the presence of two phases at higher Cu concentration; TiO{sub 2} anatase and CuO. AFM analysis showed that the surface roughness increases within increasing Cu content as well as the presence of large aggregates at higher Cu content. SEM observations confirmed the granular structure of the films, and EDX analysis revealed a low solubility limit (effective doping) of Cu into TiO{sub 2} lattice. It was found that the optical band gap energy decreases with increasing Cu content. At constant irradiation time, the photo-degradation of methylene blue rate decreased with increasing concentration of Cu{sup +2}.

Spectral features and antibacterial properties of Cu-doped ZnO nanoparticles prepared by sol-gel method

Science.gov (United States)

Alireza, Samavati; A, F. Ismail; Hadi, Nur; Z, Othaman; M, K. Mustafa

2016-07-01

Zn1-x Cu x O (x = 0.00, 0.01, 0.03, and 0.05) nanoparticles are synthesized via the sol-gel technique using gelatin and nitrate precursors. The impact of copper concentration on the structural, optical, and antibacterial properties of these nanoparticles is demonstrated. Powder x-ray diffraction investigations have illustrated the organized Cu doping into ZnO nanoparticles up to Cu concentration of 5% (x = 0.05). However, the peak corresponding to CuO for x = 0.01 is not distinguishable. The images of field emission scanning electron microscopy demonstrate the existence of a nearly spherical shape with a size in the range of 30-52 nm. Doping Cu creates the Cu-O-Zn on the surface and results in a decrease in the crystallite size. Photoluminescence and absorption spectra display that doping Cu causes an increment in the energy band gap. The antibacterial activities of the nanoparticles are examined against Escherichia coli (Gram negative bacteria) cultures using optical density at 600 nm and a comparison of the size of inhibition zone diameter. It is found that both pure and doped ZnO nanoparticles indicate appropriate antibacterial activity which rises with Cu doping. Project supported by the Universiti Teknologi Malaysia (UTM) (Grant No. R. J1300000.7809.4F626). Dr. Samavati is thankful to RMC for postdoctoral grants.

Effect of co-doped SnO{sub 2} nanoparticles on photoluminescence of cu-doped potassium lithium borate glass

Energy Technology Data Exchange (ETDEWEB)

Namma, Haydar Aboud; Wagiran, H.; Hussin, R.; Ariwahjoedi, B. [Department of Physics, Universiti Teknologi Malaysia, Skudai 81310, Malaysia and Baghdad College of Economic Sciences University (Iraq); Fundamental and Applied Sciences Department, Universiti Teknologi PETRONAS, 31750 Tronoh (Malaysia)

2012-09-26

The SnO{sub 2} co-doped lithium potassium borate glasses doped with 0.05, 0.10, 0.25 and 0.50 mol% of Cu were synthesized by the melt quenching technique. The SnO{sub 2} co-dope was added to the compounds in the amounts of 0.05, 0.10, and 0.20 mol%. The photoluminescent spectrum for different concentrations of copper was studied. It was observed that the intensity of blue emission (450, 490 nm) varies with concentration mol%. In addition, with different concentration of SnO{sub 2} to 0.10 mol% Cu, the influence of the luminescence has been observed to enhance intensity and shifted to blue and red (490, 535 nm) emissions.

Molecular models of zinc phthalocyanines: semi-empirical molecular orbital computations and physicochemical properties studied by molecular mechanics simulations

International Nuclear Information System (INIS)

Gantchev, Tsvetan G.; van Lier, Johan E.; Hunting, Darel J.

2005-01-01

To build 3D-molecular models of Zinc-phthalocyanines (ZnPc) and to study their diverse chemical and photosensitization properties, we performed quantum mechanical molecular orbital (MO) semi-empirical (AM1) computations of the ground, excited singlet and triplet states as well as free radical (ionic) species. RHF and UHF (open shell) geometry optimizations led to near-perfect symmetrical ZnPc. Predicted ionization potentials (IP), electron affinities (EA) and lowest electronic transitions of ZnPc are in good agreement with the published experimental and theoretical data. The computation-derived D 4h /D 2h -symmetry 3D-structures of ground and excited states and free radicals of ZnPc, together with the frontier orbital energies and Mulliken electron population analysis enabled us to build robust molecular models. These models were used to predict important chemical-reactivity entities such as global electronegativity (χ), hardness (η) and local softness based on Fukui-functions analysis. Examples of molecular mechanics (MM) applications of the 3D-molecular models are presented as approaches to evaluate solvation free energy (ΔG 0 ) solv and to estimate ground- and excited- state oxidation/reduction potentials as well as intermolecular interactions and stability of ground and excited state dimers (exciplexes) and radical ion-pairs

Charge transport properties of metal/metal-phthalocyanine/n-Si structures

Energy Technology Data Exchange (ETDEWEB)

Hussain, Afzal

2010-12-16

In present work the charge transport properties of metal/metal-phthalocyanine/n-Si structures with low (N{sub D} = 4 x 10{sup 14} cm{sup -3}), medium (N{sub D}=1 x 10{sup 16} cm{sup -3}) and high (N{sub D}=2 x 10{sup 19} cm{sup -3}) doped n-Si as injecting electrode and the effect of air exposure of the vacuum evaporated metal-phthalocyanine film in these structures is investigated. The results obtained through temperature dependent electrical characterizations of the structures suggest that in terms of dominant conduction mechanism in the corresponding devices Schottky-type conduction mechanism dominates the charge transport in low-bias region of these devices up to 0.8 V, 0.302 V and 0.15 V in case of low, medium and high doped n-Silicon devices. For higher voltages, in each case of devices, the space-charge-limited conduction, controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices. The interface density of states at the CuPc/n-Si interface of the devices are found to be lower in case of lower work function difference at the CuPc/n-Si interface of the devices. The results also suggest that the work function difference at the CuPc/n-Si interface of these devices causes charge transfer at the interface and these phenomena results in formation of interface dipole. The width of the Schottky depletion region at the CuPc/n-Si interface of these devices is found to be higher with higher work function difference at the interface. The investigation of charge transport properties of Al/ZnPc/medium n-Si and Au/ZnPc/ medium n-Si devices suggest that the Schottky depletion region formed at the ZnPc/n-Si interface of these devices determines the charge transport in the low-bias region of both the devices. Therefore, the Schottky-type (injection limited) and the space-charge-limited (bulk limited) conduction are observed in the low and the high bias regions of these devices, respectively. The determined width of the

TL and OSL studies on lithium borate single crystals doped with Cu and Ag

International Nuclear Information System (INIS)

Rawat, N.S.; Kulkarni, M.S.; Tyagi, M.; Ratna, P.; Mishra, D.R.; Singh, S.G.; Tiwari, B.; Soni, A.; Gadkari, S.C.; Gupta, S.K.

2012-01-01

Lithium borate (LBO) single crystals doped with Cu and Ag (0.25 mol% each) (Li 2 B 4 O 7 :Cu,Ag) are grown by the Czochralski method. The thermoluminescence readout on Li 2 B 4 O 7 :Cu,Ag crystals showed three glow peaks at∼375, 441 and 516 K for the heating rate of 1 K/s. The thermoluminescence sensitivity of the grown Li 2 B 4 O 7 :Cu,Ag single crystals is found to be 5 times TLD-100 and a linear dose response in the range 1 mGy to 1 kGy. The glow curve deconvolution reveals nearly first order kinetics for all the three peaks with trap depths 0.77, 1.25 and 1.34 eV respectively and corresponding frequency factors 1.6×10 9 , 1.3×10 13 and 6.8×10 11 s −1 . The continuous wave optically stimulated luminescence (CW-OSL) measurements were performed on the LBO:Cu,Ag single crystals using blue light stimulation. The traps responsible for the three thermoluminescence peaks in Li 2 B 4 O 7 :Cu,Ag are found to be OSL sensitive. The qualitative correlation between TL peaks and CW-OSL response is established. The photoluminescence studies show that in case of co-doping of Ag in LBO:Cu the emission at 370 nm in Cu states dominates over the transitions in Ag states implying doping of Ag plays a role as sensitizer when co-doped with Cu and increases overall emission. - Highlights: ► Growth of crack free single crystals of Li2B4O7 :Cu and Ag. ► Study of TL and OSL parameters for Li2B4O7 :Cu and Ag. ► Correlation of OSL with TL peaks. ► Optimization of OSL readout time with respect to residual TL.

Facile synthesis of Zn doped CuO hierarchical nanostructures: Structural, optical and antibacterial properties

Directory of Open Access Journals (Sweden)

Javed Iqbal

2015-12-01

Full Text Available ZnxCu1−xO (where x= 0, 0.01, 0.03, 0.05, 0.07 and 0.1 mol% hierarchical nanostructures have been prepared via soft chemical route. X-ray diffraction (XRD results of the synthesized samples reveal the monoclinic structure of CuO without any impurity related phases. The micro-structural parameters such as crystallite size and microstrain have been strongly influenced by Zn doping. Scanning electron microscope (SEM analyses depict the formation of hierarchical nanostructures having average particle size in the range of 26-43 nm. The surface area of CuO nanostructures has been reduced systematically with the increase in Zn content which is linked with the variations in particle size. An obvious decrease in the optical band gap energy of the synthesized CuO hierarchical nanostructures has been observed with Zn doping which is assigned to the formation of shallow levels in the band gap of CuO and combined transition from oxygen 2p states to d sates of Cu and Zn ions. The bactericidal potency of the CuO hierarchical nanostructures have been found to be enhanced remarkably with Zn doping.

Facile synthesis of Zn doped CuO hierarchical nanostructures: Structural, optical and antibacterial properties

Energy Technology Data Exchange (ETDEWEB)

Iqbal, Javed, E-mail: tariqjan84@gmail.com, E-mail: javed.suggau@iiu.edu.pk; Jan, Tariq, E-mail: tariqjan84@gmail.com, E-mail: javed.suggau@iiu.edu.pk; Ul-Hassan, Sibt; Umair Ali, M.; Abbas, Fazal [Laboratory of Nanoscience and Technology, Department of Physics, International Islamic University, H-10, Islamabad (Pakistan); Ahmed, Ishaq [Experimental Physics Labs, National Center for Physics, Islamabad (Pakistan); Mansoor, Qaisar; Ismail, Muhammad [Institute of Biomedical and Genetic Engineering (IBGE), Islamabad (Pakistan)

2015-12-15

Zn{sub x}Cu{sub 1−x}O (where x= 0, 0.01, 0.03, 0.05, 0.07 and 0.1 mol%) hierarchical nanostructures have been prepared via soft chemical route. X-ray diffraction (XRD) results of the synthesized samples reveal the monoclinic structure of CuO without any impurity related phases. The micro-structural parameters such as crystallite size and microstrain have been strongly influenced by Zn doping. Scanning electron microscope (SEM) analyses depict the formation of hierarchical nanostructures having average particle size in the range of 26-43 nm. The surface area of CuO nanostructures has been reduced systematically with the increase in Zn content which is linked with the variations in particle size. An obvious decrease in the optical band gap energy of the synthesized CuO hierarchical nanostructures has been observed with Zn doping which is assigned to the formation of shallow levels in the band gap of CuO and combined transition from oxygen 2p states to d sates of Cu and Zn ions. The bactericidal potency of the CuO hierarchical nanostructures have been found to be enhanced remarkably with Zn doping.

Facile hydrothermal preparation of recyclable S-doped graphene sponge for Cu2+ adsorption

International Nuclear Information System (INIS)

Zhao, Lianqin; Yu, Baowei; Xue, Fumin; Xie, Jingru; Zhang, Xiaoliang; Wu, Ruihan; Wang, Ruijue; Hu, Zhiyan; Yang, Sheng-Tao; Luo, Jianbin

2015-01-01

Graphical abstract: S-doped graphene sponge was prepared via hydrothermal treatment, where S-doped graphene sponge had an adsorption capacity of 228 mg/g for Cu 2+ . - Highlights: • S-doped graphene sponge was prepared by hydrothermal treatment for heavy metal adsorption. • S-doped graphene sponge had a huge adsorption capacity for Cu 2+ , which was 40 times higher than that of active carbon. • S-doped graphene sponge could be easily regenerated by washing with acidic thiourea. - Abstract: Graphene sponge (GS) has been widely employed for water purification, but adsorption capacity loss frequently occurs during the formation of spongy structure. In this study, we reported the hydrothermal preparation of S-doped GS for the removal of Cu 2+ with a huge adsorption capacity of 228 mg/g, 40 times higher than that of active carbon. The adsorption isotherm could be well fitted into the Freundlich model with a K F value of 36.309 (L/mg) 1/n . The equilibrium adsorption could be fully achieved in the first 5 min. In the thermodynamics study, the negative ΔG indicated that the adsorption was spontaneous and physisorption in nature. The positive ΔH implied that the adsorption was endothermic. The changes of both pH and ionic strength had no apparent influence on the adsorption. S-doped GS could be easily regenerated by washing with acidic thiourea. Moreover, S-doped GS could be used for the adsorption of other heavy metal ions, too. The implication to the applications of S-doped GS in water treatment is discussed

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.

Effect of Er doping on optical transmission and EL spectra of (Zn, Cd)S:Cu phosphors

International Nuclear Information System (INIS)

Patil, P.K.; Nandgave, J.K.; Lawangar Pawar, R.D.

1991-01-01

Powder phosphors((Znsub(0.4)Cdsub(0.6))S)doped with Cu and Er have been prepared under the inert atmosphere of argon. The optical transmission spectra of Cu doped phosphors have been investigated and explained on the basis of copper associated defect states. The improvement of optical transmission of the phosphors due to Er doping has been reported and explained. The EL emission spectrum of (Znsub(0.4)Cdsub(0.6))S:Cu:Er phosphors exhibits two broad bands characteristic of Cu. The absence of characteristic Er bands has been explained as an effect of thermal quenching of Er donor levels. (author). 9 refs., 2 figs

Relative Humidity Sensing Properties Of Cu2O Doped ZnO Nanocomposite

International Nuclear Information System (INIS)

Pandey, N. K.; Tiwari, K.; Tripathi, A.; Roy, A.; Rai, A.; Awasthi, P.

2009-01-01

In this paper we report application of Cu 2 O doped ZnO composite prepared by solid state reaction route as humidity sensor. Pellet samples of ZnO-Cu 2 O nanocrystalline powders with 2, 5 and 10 weight% of Cu 2 O in ZnO have been prepared. Pellets have been annealed at temperatures of 200-500 deg. C and exposed to humidity. It is observed that as relative humidity increases, resistance of the pellet decreases for the humidity from 10% to 90%. Sample with 5% of Cu 2 O doped in ZnO and annealed at 500 deg. C shows best results with sensitivity of 1.50 MΩ/%RH. In this case the hysteresis is low and the reproducibility high, making it the suitable candidate for humidity sensing.

Ambipolar Cu- and Fe-phthalocyanine single-crystal field-effect transistors

NARCIS (Netherlands)

De Boer, R.W.I.; Stassen, A.F.; Craciun, M.F.; Mulder, C.L.; Molinari, A.; Rogge, S.; Morpurgo, A.F.

2005-01-01

We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of copper- and iron-phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches

Gradient Self-Doped CuBi2O4 with Highly Improved Charge Separation Efficiency.

Science.gov (United States)

Wang, Fuxian; Septina, Wilman; Chemseddine, Abdelkrim; Abdi, Fatwa F; Friedrich, Dennis; Bogdanoff, Peter; van de Krol, Roel; Tilley, S David; Berglund, Sean P

2017-10-25

A new strategy of using forward gradient self-doping to improve the charge separation efficiency in metal oxide photoelectrodes is proposed. Gradient self-doped CuBi 2 O 4 photocathodes are prepared with forward and reverse gradients in copper vacancies using a two-step, diffusion-assisted spray pyrolysis process. Decreasing the Cu/Bi ratio of the CuBi 2 O 4 photocathodes introduces Cu vacancies that increase the carrier (hole) concentration and lowers the Fermi level, as evidenced by a shift in the flat band toward more positive potentials. Thus, a gradient in Cu vacancies leads to an internal electric field within CuBi 2 O 4 , which can facilitate charge separation. Compared to homogeneous CuBi 2 O 4 photocathodes, CuBi 2 O 4 photocathodes with a forward gradient show highly improved charge separation efficiency and enhanced photoelectrochemical performance for reduction reactions, while CuBi 2 O 4 photocathodes with a reverse gradient show significantly reduced charge separation efficiency and photoelectrochemical performance. The CuBi 2 O 4 photocathodes with a forward gradient produce record AM 1.5 photocurrent densities for CuBi 2 O 4 up to -2.5 mA/cm 2 at 0.6 V vs RHE with H 2 O 2 as an electron scavenger, and they show a charge separation efficiency of 34% for 550 nm light. The gradient self-doping accomplishes this without the introduction of external dopants, and therefore the tetragonal crystal structure and carrier mobility of CuBi 2 O 4 are maintained. Lastly, forward gradient self-doped CuBi 2 O 4 photocathodes are protected with a CdS/TiO 2 heterojunction and coated with Pt as an electrocatalyst. These photocathodes demonstrate photocurrent densities on the order of -1.0 mA/cm 2 at 0.0 V vs RHE and evolve hydrogen with a faradaic efficiency of ∼91%.

Enhancement of ferromagnetic properties in Zn0.98Cu0.02O by additional Co doping

International Nuclear Information System (INIS)

Liu, Huilian; Zhang, Xu; Liu, Hongbo; Yang, Jinghai; Liu, Yang; Liu, Xiaoyan; Gao, Ming; Wei, Maobin; Cheng, Xin; Wang, Jian

2013-01-01

Highlights: •The samples were synthesized by sol–gel technology to dope up to 3% Co in ZnCuO. •After Co doped into Zn 0.98 Cu 0.02 O sample photoluminescence shows an increase in green emission. •The saturation magnetization increased with Co doping. -- Abstract: Zn 0.98 Cu 0.02 O and Zn 0.95 Cu 0.02 Co 0.03 O powders were synthesized by sol–gel method, and the effects of Co codoping on the structure, optical and magnetic properties of the Zn 0.98 Cu 0.02 O powders were studied in detail. The X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) measurement shows the Zn 0.98 Cu 0.02 O and Zn 0.95 Cu 0.02 Co 0.03 O powders were single phase with the ZnO wurtzite structure, and there was no ferromagnetic-related secondary phase in these powders. Moreover, these powders exhibited ferromagnetism at the room temperature investigated by the magnetic measurement, and the ferromagnetism of the Zn 0.98 Cu 0.02 O and Zn 0.95 Cu 0.02 Co 0.03 O samples were originated from the fact that the Cu ions and Co, Cu ions doped into the ZnO lattices, respectively. In addition, the saturation magnetization (Ms) was significantly increased with Co codoping due to the increased density of oxygen vacancies

Synthesis and characterization of pure and Tb/Cu doped Alq{sub 3} nanostructures

Energy Technology Data Exchange (ETDEWEB)

Salah, Numan, E-mail: nsalah@kau.edu.sa [Center of Nanotechnology, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Habib, Sami S. [Center of Nanotechnology, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Khan, Zishan H. [Department of Applied Sciences, Faculty of Engineering and Technology, Jamia Millia, Islamia (Central University), New Delhi 110025 (India); Alharbi, Najlaa D. [Center of Nanotechnology, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Sciences Faculty for Girls, King Abdulaziz University, Jeddah-21589 (Saudi Arabia)

2013-11-15

Tris (8-hydroxyquinoline) aluminum (Alq{sub 3}) is an organic semiconductor molecule, widely used in optoelectronic devices. In this work we report on fabricating different nanostructures of Alq{sub 3} and characterize them using different techniques. Nanostructured films of Alq{sub 3} were grown using the physical vapor condensation and thermal-vapor transport methods. The as synthesized films were characterized by X-ray diffraction, scanning electron microscope, energy dispersive spectroscopy and absorption spectra. Nanoparticles and nanorods/nanowires are observed in the synthesized films. Tb and Cu doped Alq{sub 3} films were also produced and studied for their photoluminescence (PL) properties. When the original powder sample of Alq{sub 3} was excited by 378 nm, one broad PL emission band is observed at around 515 nm. The pure nanoparticles film shows similar band with a drastic increase in the intensity by a factor of 2. This has been attributed to the large specific surface area, which might has increased the absorption and then the quantum yields. The Tb and Cu doped films show also similar band with a slight shift in the peak position to the blue region, but with further enhancement in the peak intensity, particularly that of Cu. The PL intensity of Cu doped sample is around 1.5 times stronger than that of the pure Alq{sub 3} nanoparticles. This remarkable result on obtaining highly luminescent nanomaterial based on Cu doped Alq{sub 3} nanoparticles film might be useful for future organic light emitting diode display devices. -- Highlights: • Films of Alq{sub 3} nanostructures were grown using different methods. • The PL intensity of Alq{sub 3} in its nanostructure form is enhanced by a factor of 2. • This enhancement is attributed to the large specific surface area of the nanostructures. • Films of Alq{sub 3} nanoparticles doped with Tb and Cu showed further PL enhancement. • The Tb and Cu ions could contribute to the PL intensity of the green

Nonlinear optical and microscopic analysis of Cu2+ doped zinc thiourea chloride (ZTC) monocrystal

Science.gov (United States)

Ramteke, S. P.; Anis, Mohd; Pandian, M. S.; Kalainathan, S.; Baig, M. I.; Ramasamy, P.; Muley, G. G.

2018-02-01

Organometallic crystals offer considerable nonlinear response therefore, present article focuses on bulk growth and investigation of Cu2+ ion doped zinc thiourea chloride (ZTC) crystal to explore its technological impetus for laser assisted nonlinear optical (NLO) device applications. The Cu2+ ion doped ZTC bulk single crystal of dimension 03 × 2.4 × 0.4 cm3 has been grown from pH controlled aqueous solution by employing slow solvent evaporation technique. The structural analysis has been performed by means of single crystal X-ray diffraction technique. The doping of Cu2+ ion in ZTC crystal matrix has been confirmed by means of energy dispersive spectroscopic (EDS) technique. The origin of nonlinear optical properties in Cu2+ ion doped ZTC crystal has been studied by employing the Kurtz-Perry test and Z-scan analysis. The remarkable enhancement in second harmonic generation (SHG) efficiency of Cu2+ ion doped ZTC crystal with reference to ZTC crystal has been determined. The He-Ne laser assisted Z-scan analysis has been performed to determine the third order nonlinear optical (TONLO) nature of grown crystal. The TONLO parameters such as susceptibility, absorption coefficient, refractive index and figure of merit of Cu-ZTC crystal have been evaluated using the Z-scan transmittance data. The laser damage threshold of grown crystal to high intensity of Nd:YAG laser is found to be 706.2 MW/cm2. The hardness number, work hardening index, yield strength and elastic stiffness coefficient of grown crystal has been investigated under microhardness study. The etching study has been carried out to determine the growth likelihood, nature of etch pits and surface quality of grown crystal.

Ca doping of TSMTG-YBa2Cu3O7-δ/Y2BaCuO5 composites

International Nuclear Information System (INIS)

Delorme, F.; Harnois, C.; Monot-Laffez, I.; Marinel, S.

2002-01-01

Calcium doped YBa 2 Cu 3 O 7-δ /Y 2 BaCuO 5 bulk samples have been synthesised by the top-seeding-melt-texture growth (TSMTG) process up to 1 wt.% of CaCO 3 . Calcium additions up to 0.25 wt.% of CaCO 3 do not change the decomposition temperature whereas additions of 1 wt.% of CaCO 3 lead to an increase of the decomposition temperature of about 10 deg. C. This difference is not important enough to change the thermal cycle used to process YBa 2 Cu 3 O 7-δ undoped bulk samples. Microstructure studies show that no precursor or secondary phases containing calcium are present in the samples. Energy dispersive spectroscopy analyses have shown that Ca is present both in the YBa 2 Cu 3 O 7-δ matrix and the Y 2 BaCuO 5 particles. The position of the calcium atoms in the superconducting matrix is discussed. The calcium doped samples present slightly depressed critical temperatures but drastically depressed critical current densities

Gamma ray interactions with undoped and CuO-doped lithium disilicate glasses

International Nuclear Information System (INIS)

Elbatal, H.A.; Mandouh, Z.; Zayed, H.; Marzouk, S.Y.; Elkomy, G.; Hosny, A.

2010-01-01

Ultraviolet-visible absorption of undoped lithium disilicate glass reveals strong UV absorption and no visible bands could be identified. Such UV absorption is related to the presence of unavoidable trace iron impurities within raw materials used for the preparation of this glass. Optical absorption of the CuO-doped samples show an extra broad visible band centered at 780 nm and in high CuO contents samples obvious splitting to several component peaks are observed. This characteristic visible absorption of copper-doped samples is correlated with the presence of Cu +2 ions in octahedral coordination with tetragonal distortion. Gamma irradiation of the prepared samples produces radiation-induced defects, which are related to the sharing of host lithium disilicate glass, trace iron impurities and copper iron in their formation. The visible spectrum of the CuO samples shows shielding effect towards successive gamma irradiation.

Photoelectrochemical oxidation of ibuprofen via Cu{sub 2}O-doped TiO{sub 2} nanotube arrays

Energy Technology Data Exchange (ETDEWEB)

Sun, Qiannan [College of Environment and Energy, South China University of Technology, Guangzhou (China); Peng, Yen-Ping, E-mail: yppeng@thu.edu.tw [Department of Environmental Science and Engineering, Tunghai University, Taichung, Taiwan (China); Chen, Hanlin [College of Environment and Energy, South China University of Technology, Guangzhou (China); Chang, Ken-Lin [School of Environmental Science and Engineering and Institute of Environmental Health and Pollution Control, Guangdong University of Technology, Guangzhou, 51006 China (China); Qiu, Yang-Neng; Lai, Shiau-Wu [Department of Environmental Science and Engineering, Tunghai University, Taichung, Taiwan (China)

2016-12-05

Highlights: • A p–n junction material was synthesized to enhance photocatalytic ability. • Cu{sub 2}O-doped TiO{sub 2} nanotube arrays works as a photoanode in a PEC system. • Recombination of photo-generated holes and electrons were greatly reduced. • Synergetic effect was quantified in PEC degradation. • Recombination of photogenerated holes and electrons was greatly enhanced. - Abstract: A p–n junction based Cu{sub 2}O-doped TiO{sub 2} nanotube arrays (Cu{sub 2}O-TNAs) were synthesized and used as a working anode in a photoelectrochemical (PEC) system. The results revealed that the Cu{sub 2}O-TNAs were dominated by the anatase phase and responded significantly to visible light. XPS analyses indicated that with an amount of 24.79% Cu doping into the structure, the band gap of Cu{sub 2}O-TNAs was greatly reduced. SEM images revealed that the supported TiO{sub 2} nanotubes had diameters of approximately 80 nm and lengths of about 2.63 μm. Upon doping with Cu{sub 2}O, the TiO{sub 2} nanotubes maintained their structural integrity, exhibiting no significant morphological change, favoring PEC applications. Under illumination, the photocurrent from Cu{sub 2}O/TNAs was 2.4 times larger than that from TNAs, implying that doping with Cu{sub 2}O significantly improved electron mobility by reducing the rate of recombination of electron-hole pairs. The EIS and Bode plot revealed that the estimated electron lifetimes, τ{sub el}, of TNAs and Cu{sub 2}O/TNAs were 6.91 and 26.26 ms, respectively. The efficiencies of degradation of Ibuprofen by photoelectrochemical, photocatalytic (PC), electrochemical (EC) and photolytic (P) methods were measured.

Highly stable carbon-doped Cu films on barrierless Si

International Nuclear Information System (INIS)

Zhang, X.Y.; Li, X.N.; Nie, L.F.; Chu, J.P.; Wang, Q.; Lin, C.H.; Dong, C.

2011-01-01

Electrical resistivities and thermal stabilities of carbon-doped Cu films on silicon have been investigated. The films were prepared by magnetron sputtering using a Cu-C alloy target. After annealing at 400 deg. C for 1 h, the resistivity maintains a low level at 2.7 μΩ-cm and no Cu-Si reaction is detected in the film by X-ray diffraction (XRD) and transmission electron microscopy (TEM) observations. According to the secondary ion mass spectroscopy (SIMS) results, carbon is enriched near the interfacial region of Cu(C)/Si, and is considered responsible for the growth of an amorphous Cu(C)/Si interlayer that inhibits the Cu-Si inter-diffusion. Fine Cu grains, less than 100 nm, were present in the Cu(C) films after long-term and high-temperature annealings. The effect of C shows a combination of forming a self-passivated interface barrier layer and maintaining a fine-grained structure of Cu. A low current leakage measured on this Cu(C) film also provides further evidence for the carbon-induced diffusion barrier interlayer performance.

Auto-combustion synthesis and characterization of Mg doped CuAlO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Agrawal, Shraddha, E-mail: shraddhaa32@gmail.com; Parveen, Azra; Naqvi, A. H. [Centre of Excellence in Materials Science (Nanomaterials), Department of Applied Physics, Z.H. College of Engg.& Technology, Aligarh Muslim University, Aligarh-202002 (India)

2015-06-24

The synthesis of pure and Mg doped Copper aluminumoxide CuAlO{sub 2}nanoparticles, a promising p-type TCO (transparent conducting oxide) have been done bysol gel auto combustion method using NaOH as a fuel, calcinated at 600°C. The structural properties were examined by XRD and SEM techniques. The optical absorption spectra of CuAlO{sub 2} sample recorded by UV-VIS spectrophotometer in the range of 200 to 800 nm have been presented. The crystallite size was determined by powder X-ray diffraction technique. The electrical behavior of pure and Mg doped CuAlO{sub 2} has been studied over a wide range of frequencies by using complex impedance spectroscopy.The variation of a.c. conductivity has been studied as function of frequency and temperature. The data taken together conclude that doping causes decreases in the ac conductivity of the nanoparticles as compared with the pure nanoparticles. Mg doping affects the optical properties and band gap.

Formulation and Characterization of Cu Doped ZnO Thick Films as LPG Gas Sensor

Directory of Open Access Journals (Sweden)

A. V. PATIL

2010-12-01

Full Text Available Thick films of pure and various concentrations (1 wt. %, 3 wt. %, 5 wt. %, 7 wt. % and 10 wt. % of Cu-doped ZnO were prepared on alumina substrates using a screen printing technique. These films were fired at a temperature of 700ºC for two hours in an air atmosphere. Morphological, compositional and structural properties of the samples were obtained using the scanning electron microscopy (SEM, Energy dispersive spectroscopy (EDAX and X-ray diffraction techniques respectively. The LPG gas sensing properties of these thick films were investigated at different operating temperatures and LPG gas concentrations. The surface resistance of thick films decreases when exposed to LPG gas. The Cu doped films show significant sensitivity to LPG gas than pure ZnO film. 5 wt. % Cu-doped ZnO film was found to be more sensitive (87.3 % to LPG gas exposed at 300 oC than other doping concentrations with fast response and recovery time.

Fibroblast responses and antibacterial activity of Cu and Zn co-doped TiO2 for percutaneous implants

Science.gov (United States)

Zhang, Lan; Guo, Jiaqi; Yan, Ting; Han, Yong

2018-03-01

In order to enhance skin integration and antibacterial activity of Ti percutaneous implants, microporous TiO2 coatings co-doped with different doses of Cu2+ and Zn2+ were directly fabricated on Ti via micro-arc oxidation (MAO). The structures of coatings were investigated; the behaviors of fibroblasts (L-929) as well as the response of Staphylococcus aureus (S. aureus) were evaluated. During the MAO process, a large number of micro-arc discharges forming on Ti performed as penetrating channels; O2-, Ca2+, Zn2+, Cu2+ and PO43- delivered via the channels, giving rise to the formation of doped TiO2. Surface characteristics including phase component, topography, surface roughness and wettability were almost the same for different coatings, whereas, the amount of Cu doped in TiO2 decreased with the increased Zn amount. Compared with Cu single-doped TiO2 (0.77 Wt% Cu), the co-doped with appropriate amounts of Cu and Zn, for example, 0.55 Wt% Cu and 2.53 Wt% Zn, further improved proliferation of L-929, facilitated fibroblasts to switch to fibrotic phenotype, and enhanced synthesis of collagen I as well as the extracellular collagen secretion; the antibacterial properties including contact-killing and release-killing were also enhanced. By analyzing the relationship of Cu/Zn amount in TiO2 and the behaviors of L-929 and S. aureus, it can be deduced that when the doped Zn is in a low dose (<1.79 Wt%), the behaviors of L-929 and S. aureus are sensitive to the reduced amount of Cu2+, whereas, Zn2+ plays a key role in accelerating fibroblast functions and reducing S. aureus when its dose obviously increases from 2.63 to 6.47 Wt%.

Influence of La content on magnetic properties of Cu doped M-type strontium hexaferrite: Structural, magnetic, and Mossbauer spectroscopy study

Science.gov (United States)

Ghimire, M.; Yoon, S.; Wang, L.; Neupane, D.; Alam, J.; Mishra, S. R.

2018-05-01

The present study investigates the influence of Cu2+ and La3+-Cu2+ doping on the magnetic properties of Sr1-xLaxFe12-xCuxO19 (x = 0.0-0.5) hexaferrite (SrM) compounds. The samples were prepared via facile autocombustion technique followed by sintering. X-ray powder diffraction patterns show the formation of the pure phase of M-type hexaferrite for all x. Invariance in lattice parameters was observed with only Cu2+ substitution while lattice contraction along c-axis was observed with co-doping La3+-Cu2+ in SrM. The magnetic property of these compounds is explained based on Cu2+ occupancy in the absence and presence of La3+ in SrM magnetoplumbite structure. The Cu2+ doped SrFe12-xCuxO19 sample showed a monotonic decrease in Ms value while La3+-Cu2+ showed a noticeable increase in Ms value with x. Furthermore, while coercivity of Cu2+ doped SrM reduced with x, the coercivity of La3+-Cu2+ doped SrM showed a marked 12% increase in coercivity at x = 0.1 (Hc = 4391 Oe) from that of x = 0.0 (3918 Oe). Interestingly, Cu2+ doped SrM displayed invariance in Tc ∼ 458.6 °C with x, while La3+-Cu2+ doping reduced Tc by 5% from its x = 0 (Tc = 451.9 °C) to 429.6 °C. The room temperature Mossbauer spectral analysis confirmed a Cu2+ preference for the 12k site and its occupancy is observed to be influenced by the presence of La3+ ion at the Sr2+ site.

Synthesis and Supramolecular Chemistry of Novel Liquid Crystalline Crown Ether-Substituted Phthalocyanines : Toward Molecular Wires and Molecular Ionoelectronics

NARCIS (Netherlands)

Nostrum, Cornelus F. van; Picken, Stephen J.; Schouten, Arend-Jan; Nolte, Roeland J.M.

1995-01-01

The synthesis of the metal-free and the dihydroxysilicon derivatives of tetrakis[4’,5’-bis(decoxy)benzo-18-crown-6]phthalocyanine is described. The metal-free phthalocyanine is liquid crystalline and exhibits a crystalline phase to mesophase transition at 148 °C. The structures of the crystalline

Study of Paramagnetic Species in γ-irradiated Lithium Borate Glasses Doped With Cu2+ Ions

International Nuclear Information System (INIS)

Mansour, A.; Abd-Allah, W.M.; El-Alaily, N.A.; Ezz-Eldin, F.M.

2013-01-01

Mixed alkali borate glasses doped with different concentration of Cu O ranging from (0.1-10) wt% have been prepared by the melt quenching technique. The prepared samples were studied by means of density, molar volume, infrared spectroscopy and electron paramagnetic resonance (EPR) measurements before and after successive gamma irradiation (50-200 kGy). The results showed that the density increase while molar volume decrease with the increase of CuO %. The infrared absorption studies revealed that structure of the glass network consists of BO 3 , BO 4 and B-O-Cu linkages. Gamma irradiation causes minor changes in the IR spectral bands which are related to the bond break of the B-O bond and formation non-bridging oxygen. Gamma irradiation causes irregular change in the intensities of the EPR spectra for samples doped with 0.1, 0.2 and 10 wt % of Cu O, however, no change in the EPR spectra of 2 and 5 wt % of Cu O for all absorbed doses (50-200 kGy). It is expected that the Cu-doped lithium borate glass 2 and 5 wt % of Cu O may be used for radiation shielding.

Theoretical modeling of the electronic structure and exchange interactions in Cu(II)Pc

Science.gov (United States)

Wu, Wei; Fisher, A. J.; Harrison, N. M.; Wang, Hai; Wu, Zhenlin; Gardener, Jules; Heutz, Sandrine; Jones, Tim; Aeppli, Gabriel

2012-12-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine (Cu(II)Pc) crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green's function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α- and β-phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

Controlling Molecular Doping in Organic Semiconductors.

Science.gov (United States)

Jacobs, Ian E; Moulé, Adam J

2017-11-01

The field of organic electronics thrives on the hope of enabling low-cost, solution-processed electronic devices with mechanical, optoelectronic, and chemical properties not available from inorganic semiconductors. A key to the success of these aspirations is the ability to controllably dope organic semiconductors with high spatial resolution. Here, recent progress in molecular doping of organic semiconductors is summarized, with an emphasis on solution-processed p-type doped polymeric semiconductors. Highlighted topics include how solution-processing techniques can control the distribution, diffusion, and density of dopants within the organic semiconductor, and, in turn, affect the electronic properties of the material. Research in these areas has recently intensified, thanks to advances in chemical synthesis, improved understanding of charged states in organic materials, and a focus on relating fabrication techniques to morphology. Significant disorder in these systems, along with complex interactions between doping and film morphology, is often responsible for charge trapping and low doping efficiency. However, the strong coupling between doping, solubility, and morphology can be harnessed to control crystallinity, create doping gradients, and pattern polymers. These breakthroughs suggest a role for molecular doping not only in device function but also in fabrication-applications beyond those directly analogous to inorganic doping. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spatially Correlated, Single Nanomaterial-Level Structural and Optical Profiling of Cu-Doped ZnO Nanorods Synthesized via Multifunctional Silicides

Directory of Open Access Journals (Sweden)

Johnson Truong

2018-04-01

Full Text Available We demonstrate a straightforward and effective method to synthesize vertically oriented, Cu-doped ZnO nanorods (NRs using a novel multipurpose platform of copper silicide nanoblocks (Cu3Si NBs preformed laterally in well-defined directions on Si. The use of the surface-organized Cu3Si NBs for ZnO NR growth successfully results in densely assembled Cu-doped ZnO NRs on each NB platform, whose overall structures resemble thick bristles on a brush head. We show that Cu3Si NBs can uniquely serve as a catalyst for ZnO NRs, a local dopant source of Cu, and a prepatterned guide to aid the local assembly of the NRs on the growth substrate. We also ascertain the crystalline structures, optical properties, and spectroscopic signatures of the Cu-doped ZnO NRs produced on the NBs, both at each module of NRs/NB and at their ensemble level. Subsequently, we determine their augmented properties relative to the pristine form of undoped ZnO NRs and the source material of Cu3Si NBs. We provide spatially correlated structural and optical data for individual modules of Cu-doped ZnO NRs assembled on a Cu3Si NB by resolving them along the different positions on the NB. Ensemble-averaged versus individual behaviors of Cu-doped ZnO NRs on Cu3Si NBs are then compared. We further discuss the potential impact of such ZnO-derived NRs on their relatively unexplored biological and biomedical applications. Our efforts will be particularly useful when exploiting each integrated module of self-aligned, Cu-doped ZnO NRs on a NB as a discretely addressable, active element in solid-state sensors and miniaturized luminescent bioprobes.

Implications of orbital hybridization on the electronic properties of doped quantum dots: the case of Cu:CdSe

Science.gov (United States)

Wright, Joshua T.; Forsythe, Kyle; Hutchins, Jamie; Meulenberg, Robert W.

2016-04-01

This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of these materials. This information provides insights into many of the physical properties of doped QDs, including the highly debated near-infrared photoluminescence in Cu doped CdSe QDs. We show that all our results point to a common theme of orbital hybridization in Cu doped CdSe QDs which leads to optically and electronically active states below the conduction band minimum. Our model is supported from current-voltage measurements of doped and undoped materials, which exhibit Schottky to Ohmic behavior with Cu doping, suggestive of a tuning of the lowest energy states near the Fermi level.This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of

Synthesis of two-dimensional nanowall of Cu-Doped TiO2 and its application as photoanode in DSSCs

Science.gov (United States)

Dahlan, Dahyunir; Md Saad, Siti Khatijah; Berli, Ade Usra; Bajili, Abdil; Umar, Akrajas Ali

2017-07-01

Two-dimensional nanowall of Cu-doped TiO2 (CuTNW) has been prepared in this work to study the role of Cu doping on its photoactivity properties and its photovoltaic performance as photoanode in a dye-sensitized solar cell (DSSC). TiO2 nanowall with five Cu ion doping, i.e. 6.25, 12.5, 25.0, 50.0 and 100.0 mM, were prepared via a liquid-phase deposition method using ammoniumhexafluorotitanate and hexamethylenetetramine as the reagents with a growth temperature of 90 °C. The X-Ray Diffraction (XRD), X-ray energy dispersion (EDX) and diffuse optical reflectance spectroscopy analysis results confirmed the successfulness of the Cu doping process in the TiO2 nanowall and effective modification on the photoactivity of the TiO2 nanowall. We found that the power conversion efficiency of the DSSC utilizing TiO2 nanowall as photoanode can be enhanced up to 2 times, i.e. from 0.2% to 0.44%, when the TiO2 nanowall doped with Cu ion. The nanostructure preparation, device fabrication and the mechanism for the device performance enhancement will be discussed.

Chemical bath deposition of CdS thin films doped with Zn and Cu

Indian Academy of Sciences (India)

Abstract. Zn- and Cu-doped CdS thin films were deposited onto glass substrates by the chemical bath technique. ... Cadmium sulfide; chemical bath deposition; doping; optical window. 1. ..... at low temperature (10 K), finding similar trends than.

Photoluminescence characteristics of sintered silica glass doped with Cu ions using mesoporous SiO{sub 2}-PVA nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Ikeda, Hiroshi [Art, Science and Technology Center for Cooperative Research, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Murata, Takahiro [Faculty of Education and Master' s Course in Education, Kumamoto University, 2-40-1 Kurokami, Chuo-ku, Kumamoto 860-8555 (Japan); Fujino, Shigeru, E-mail: fujino@astec.kyushu-u.ac.jp [Art, Science and Technology Center for Cooperative Research, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan)

2015-07-15

Monolithic silica glasses doped with Cu ions were prepared by immersing a mesoporous SiO{sub 2}-polyvinyl alcohol (PVA) nanocomposite in a copper nitrate solution followed by sintering at 1100 °C for 12 h in air. The Cu ions were reduced from divalent to monovalent during the sintering process and consequently Cu{sup +} was doped into the silica glass matrix. The sintered glass possessed blue or yellow photoluminescence (PL) under UV irradiation, depending on the total concentration of Cu ions in the sintered silica glass. At a lower concentration below 30 ppm, the isolated Cu{sup +} existed in the glass matrix resulting in the blue PL. However, above 70 ppm, the Cu{sup +}–Cu{sup +} pairs were present, exhibiting the yellow PL. It was demonstrated that the PL characteristics of the sintered silica glasses doped with monovalent copper ions were affected by the total concentration of Cu ions in the glass, which can be adjusted as a function of the immersion conditions. - Highlights: • Silica glass doped with Cu{sup +} was fabricated by sintering the nanocomposite. • The Cu ions were reduced from divalent to monovalent during the sintering process. • The sintered glass possessed blue or yellow PL under UV irradiation. • The blue and yellow PL are due to isolated Cu{sup +} and Cu{sup +}–Cu{sup +} pairs, respectively. • The PL characteristics depended on the total concentration of Cu ions in the glass.

Absorption Spectroscopy, Molecular Dynamics Calculations, and Multivariate Curve Resolution on the Phthalocyanine Aggregation

Energy Technology Data Exchange (ETDEWEB)

Ajloo, Davood; Ghadamgahi, Maryam; Shaheri, Freshte; Zarei, Kobra [Damghan Univ., Damghan (Iran, Islamic Republic of)

2014-05-15

Co(II)-tetrasulfonated phthalocyanine (CoTSP) is known to be aggregated to dimer at high concentration levels in water. A study on the aggregation of CoTSP using multivariate curve resolution analysis of the visible absorbance spectra over a concentration range of 30, 40 and 50 μM in the presence of dimethyl sulfoxide (DMSO), dimethyl formamide (DMF), acetonitrile (AN) and ethanol (EtOH) in the concentration range of 0 to 3.57 M is conducted. A hard modeling-based multivariate curve resolution method was applied to determine the dissociation constants of the CoTSP aggregates at various temperatures ranging from 25, 45 and 65 .deg. C and in the presence of various co-solvents. Dissociation constant for aggregation was increased and then decrease by temperature and concentration of phthalocyanine, respectively. Utilizing the vant Hoff relation, the enthalpy and entropy of the dissociation equilibriums were calculated. For the dissociation of both aggregates, the enthalpy and entropy changes were positive and negative, respectively. Molecular dynamics simulation of cosolvent effect on CoTSP aggregation was done to confirm spectroscopy results. Results of radial distribution function (RDF), root mean square deviation (RMSD) and distance curves confirmed more effect of polar solvent to decrease monomer formation.

Absorption Spectroscopy, Molecular Dynamics Calculations, and Multivariate Curve Resolution on the Phthalocyanine Aggregation

International Nuclear Information System (INIS)

Ajloo, Davood; Ghadamgahi, Maryam; Shaheri, Freshte; Zarei, Kobra

2014-01-01

Co(II)-tetrasulfonated phthalocyanine (CoTSP) is known to be aggregated to dimer at high concentration levels in water. A study on the aggregation of CoTSP using multivariate curve resolution analysis of the visible absorbance spectra over a concentration range of 30, 40 and 50 μM in the presence of dimethyl sulfoxide (DMSO), dimethyl formamide (DMF), acetonitrile (AN) and ethanol (EtOH) in the concentration range of 0 to 3.57 M is conducted. A hard modeling-based multivariate curve resolution method was applied to determine the dissociation constants of the CoTSP aggregates at various temperatures ranging from 25, 45 and 65 .deg. C and in the presence of various co-solvents. Dissociation constant for aggregation was increased and then decrease by temperature and concentration of phthalocyanine, respectively. Utilizing the vant Hoff relation, the enthalpy and entropy of the dissociation equilibriums were calculated. For the dissociation of both aggregates, the enthalpy and entropy changes were positive and negative, respectively. Molecular dynamics simulation of cosolvent effect on CoTSP aggregation was done to confirm spectroscopy results. Results of radial distribution function (RDF), root mean square deviation (RMSD) and distance curves confirmed more effect of polar solvent to decrease monomer formation

Thermoelectric properties of Cu/Ag doped type-III Ba24Ge100 clathrates

Science.gov (United States)

Fu, Jiefei; Su, Xianli; Yan, Yonggao; Liu, Wei; Zhang, Zhengkai; She, Xiaoyu; Uher, Ctirad; Tang, Xinfeng

2017-09-01

Type-III Ba24Ge100 clathrates possess low thermal conductivity and high electrical conductivity at room temperature and, as such, have a great potential as thermoelectric materials for power generation. However, the Seebeck coefficient is very low due to the intrinsically high carrier concentration. In this paper, a series of Ba24CuxGe100-x and Ba24AgyGe100-y specimens were prepared by vacuum melting combined with the subsequent spark plasma sintering (SPS) process. Doping Cu or Ag on the Ge site not only suppresses the concentration of electrons but it also decreases the thermal conductivity. In addition, the carrier mobility and the Seebeck coefficient increase due to the decrease in the carrier concentration. Thus, the power factor is greatly improved, leading to an improvement in the dimensionless figure of merit ZT. Cu-doped Ba24Cu6Ge94 reaches the maximum ZT value of about 0.17 at 873 K, while Ag-doped Ba24Ag6Ge94 attains the dimensionless figure of merit ZT of 0.31 at 873 K, more than 2 times higher value compared to un-doped Ba24Ge100.

Enhanced electrical transport and thermoelectric properties in Ni doped Cu3SbSe4

Science.gov (United States)

Kumar, Aparabal; Dhama, P.; Das, Anish; Sarkar, Kalyan Jyoti; Banerji, P.

2018-05-01

In this study, we report the enhanced thermoelectric performance of Cu3SbSe4 by Ni doping at Cu site. Cu3-xNixSbSe4 (x = 0, 0.01, 0.03, 0.05) were prepared by melt growth, ball milling followed by spark plasma sintering. Structural characterization, phase analysis and surface morphology were carried out using X-ray diffraction, field emission scanning electron microscopy and energy dispersive X-ray spectroscopy. Electrical and thermal properties of all the samples were investigated in the temperature range 300 - 650 K. Decrease in electrical resistivity with Ni doping due to increase in carrier concentration with enhanced Seebeck coefficient via increase in density of state near the Fermi level gives a remarkably high power factor. At the same time, thermal conductivity was found to decrease due to increased carrier-phonon scattering and acoustic phonon scattering. Consequently, a remarkable enhancement in the thermoelectric figure of merit (ZT˜ 0.65) of Cu3-xNixSbSe4 was achieved for x = 0.01 sample. Thus, Ni doping is an effective approach to improve the efficiency of Cu3SbSe4.

Room temperature magnetic and dielectric properties of cobalt doped CaCu3Ti4O12 ceramics

Science.gov (United States)

Mu, Chunhong; Song, Yuanqiang; Wang, Haibin; Wang, Xiaoning

2015-05-01

CaCu3Ti4-xCoxO12 (x = 0, 0.2, 0.4) ceramics were prepared by a conventional solid state reaction, and the effects of cobalt doping on the room temperature magnetic and dielectric properties were investigated. Both X-ray diffraction and energy dispersive X-ray spectroscopy confirmed the presence of Cu and Co rich phase at grain boundaries of Co-doped ceramics. Scanning electron microscopy micrographs of Co-doped samples showed a striking change from regular polyhedral particle type in pure CaCu3Ti4O12 (CCTO) to sheet-like grains with certain growth orientation. Undoped CaCu3Ti4O12 is well known for its colossal dielectric constant in a broad temperature and frequency range. The dielectric constant value was slightly changed by 5 at. % and 10 at. % Co doping, whereas the second relaxation process was clearly separated in low frequency region at room temperature. A multirelaxation mechanism was proposed to be the origin of the colossal dielectric constant. In addition, the permeability spectra measurements indicated Co-doped CCTO with good magnetic properties, showing the initial permeability (μ') as high as 5.5 and low magnetic loss (μ″ < 0.2) below 3 MHz. And the interesting ferromagnetic superexchange coupling in Co-doped CaCu3Ti4O12 was discussed.

Post-growth annealing treatment effects on properties of Na-doped CuInS2 thin films

International Nuclear Information System (INIS)

Zribi, M.; Kanzari, M.; Rezig, B.

2008-01-01

Structural and optical properties of Na-doped CuInS 2 thin films grown by double source thermal evaporation method were studied. The films were annealed from 250 to 500 deg. C in a vacuum after evaporation. X-ray diffraction pattern indicated that there are traces of Cu and In 6 S 7 , which disappeared on annealing above 350 deg. C. Good quality CuInS 2 :Na 0.3% films were obtained on annealing at 500 deg. C. Furthermore, we found that the absorption coefficient of Na-doped CuInS 2 thin films reached 1.5 x 10 5 cm -1 . The change in band gap of the doped samples annealed in the temperatures from 250 to 500 deg. C was in the range 0.038-0.105 eV

Thermoluminescence characteristics of Cu2O doped Calcium Lithium borate glass irradiated with the cobalt-60 gamma rays

International Nuclear Information System (INIS)

Rammadhan, Ismail; Taha, Saddon; Wagiran, H.

2017-01-01

The aim of this study is to prepare and investigate the thermoluminescence characteristics for the un-doped and Cu 2 O doped calcium lithium borate glass upon adding various Cu 2 O concentrations of 0.005% to 0.1 mol%. The glasses were prepared by melt quenching method and irradiated with 60 CO gamma-ray having different doses in the range of (0.5–4) Gy, (5–10) Gy, and (20–100) Gy. The amorphous phases were identified for optimization glass samples, effect of heating rate, glowing curves, linearity, sensitivity, fading, reproducibility of response and minimum detectable dose are also studied. The TL sample with 0.02 mol% Cu 2 O concentration has higher response compared to the other samples concentration for a delivered dose of 50 Gy, The recorded glow curves consist a dominant peak at 187 °C for a heating rate of 5 °C s −1 . However, the value of effective atomic number Z eff is 8.84 for 0.02Cu 2 O doped which are near to the atomic number of soft tissue. - Highlights: •We have prepared and investigate the crystalline structure for the un-doped and Cu 2 O doped calcium lithium borate glass are carried out. •Investigate the amorphous structure of calcium lithium borate glass. •Determine the best setting of annealing temperature, annealing time and heating rate for Cu 2 O doped calcium lithium borate glass. •The doping effects of Cu 2 O on the thermoluminescence properties of calcium lithium borate glass subjected gamma radiations. •The new dosimeter showed simple glow curve with single prominent peak centred at 187 °C and linear dose–response range 0.5–100 Gy, good reproducibility, the fading of the signal is relatively slow. •Effective atomic number for Cu 2 O doped Calcium lithium borate close to the effective atomic number of soft tissue.

Synthesis, structure, magnetic, electrical and electrochemical properties of Al, Cu and Mg doped MnO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Hashem, Ahmed M., E-mail: ahmedh242@yahoo.com [National Research Centre, Inorganic Chemistry Department, Behoes St., Dokki, Cairo (Egypt); Institute for Complex Materials, IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany); Abuzeid, Hanaa M. [National Research Centre, Inorganic Chemistry Department, Behoes St., Dokki, Cairo (Egypt); Narayanan, N. [Institute for Complex Materials, IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany); Ehrenberg, Helmut [Institute for Complex Materials, IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany); Materials Science, Technische Universitaet Darmstadt, Petersenstr. 23, D-64287 Darmstadt (Germany); Julien, C.M. [Universite Pierre et Marie Curie, Physicochimie des Electrolytes, Colloides et Sciences Analytiques (PECSA), 4 place Jussieu, 75005 Paris (France)

2011-10-17

Highlights: {yields} Al, Mg and Cu doped MnO{sub 2} as cathode in Li-ion batteries. {yields} Pure phase MnO{sub 2} for virgin and doped MnO{sub 2} were obtained. {yields} Doping elements improve the electrical conductivity of MnO{sub 2}. {yields} Electrochemical behaviour of MnO{sub 2} improved after doping by Al, Mg and Cu. - Abstract: Pure and doped manganese dioxides were prepared by wet-chemical method using fumaric acid and potassium permanganate as raw materials. X-ray diffraction patterns show that pure and Al, Cu and Mg doped manganese dioxides (d-MnO{sub 2}) crystallized in the cryptomelane-MnO{sub 2} structure. Thermal analysis show that, with the assistance of potassium ions inside the 2 x 2 tunnel, the presence of Al, Cu and Mg doping elements increases the thermal stability of d-MnO{sub 2}. The electrical conductivity of d-MnO{sub 2} increases in comparison with pure MnO{sub 2}, while Al-doped MnO{sub 2} exhibits the lower resistivity. As shown in the magnetic measurements, the value of the experimental effective magnetic moment of Mn ions decreases with introduction of dopants, which is attributed to the presence of a mixed valency of high-spin state Mn{sup 4+}/Mn{sup 3+}. Doped MnO{sub 2} materials show good capacity retention in comparison with virgin MnO{sub 2}. Al-doped MnO{sub 2} shows the best electrochemical results in terms of capacity retention and recharge efficiency.

A facile synthesis and spectral characterization of Cu{sup 2+} doped CdO/ZnS nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Joyce Stella, R.; Thirumala Rao, G.; Babu, B.; Pushpa Manjari, V. [Department of Physics, University College of Sciences, Acharya Nagarjuna University, Nagarjuna Nagar, AP 522510 (India); Reddy, Ch. Venkata; Shim, Jaesool [School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Ravikumar, R.V.S.S.N., E-mail: rvssn@yahoo.co.in [Department of Physics, University College of Sciences, Acharya Nagarjuna University, Nagarjuna Nagar, AP 522510 (India)

2015-06-15

A facile two-step method is demonstrated for the preparation of Cu{sup 2+} doped CdO/ZnS nanocomposite. Systematic investigations like X-ray diffraction (XRD), Scanning electron microscopy (SEM) with EDS, transmission electron microscopy (TEM), FT-IR, electron paramagnetic resonance (EPR), optical absorption, photoluminescence (PL) and magnetic studies are carried out for the prepared material. From powder XRD, the nanocomposites are comprised for cubic phase of both CdO and ZnS in a close contact with each other. The ground state wave function of dopant ions has been estimated from EPR studies. Optical and EPR data confirm that doped Cu{sup 2+}ions occupy rhombically distorted octahedral sites with the host material. Due to doping, band gap has been changed and blue shifts occurred in PL. Magnetic measurements indicate a possible ferromagnetic response, associated to the exchange interaction between local spin-polarized electrons of Cu{sup 2+} ions and conductive electrons. - Graphical abstract: M–H curve of Cu{sup 2+} doped CdO–ZnS nanocomposites. The magnetic properties of Cu{sup 2+} doped CdO/ZnS nanocomposite has been investigated using vibrating sample magnetometer given as magnetization and hysteresis (M–H) curve. The magnetization curve with noticeable coercivity of M–H loop clearly indicate the existence of ferromagnetic ordering in Cu{sup 2+} doped CdO/ZnS nanocomposite at room temperature. According to the Ruderman–Kittel–Kasuya–Yosida (RKKY) theory, the exchange interaction between local spin-polarized electrons (such as the electrons of Cu{sup 2+} ions) and conductive electrons is the main cause that leads to the ferromagnetism. Coercivity (Hc) of the field is about 98 Oe, saturation magnetization (Ms) and remnant magnetization (Mr) of present sample is estimated to be 15.8×10{sup −3} and 1.43×10{sup −3} emu/g respectively. The ferromagnetism observed in the prepared material is not commencing with other impurities but expected to

Electron paramagnetic resonance in Cu-doped ZnO

Science.gov (United States)

Buchheit, R.; Acosta-Humánez, F.; Almanza, O.

2016-04-01

In this work, ZnO and Cu-doped ZnO nanoparticles (Zn1-xCuxO, x = 3%), with a calcination temperature of 500∘C were synthesized using the sol-gel method. The particles were analyzed using atomic absorption spectroscopy (AAS), X-ray diffraction (XRD) and electron paramagnetic resonance (EPR) at X-band, measurement in a temperature range from 90 K to room temperature. AAS confirmed a good correspondence between the experimental doping concentration and the theoretical value. XRD reveals the presence of ZnO phase in hexagonal wurtzite structure and a nanoparticle size for the samples synthesized. EPR spectroscopy shows the presence of point defects in both samples with g-values of g = 1.959 for shallow donors and g = 2.004 for ionized vacancies. It is important when these materials are required have been used as catalysts, as suggested that it is not necessary prepare them at higher temperature. A simulation of the Cu EPR signal using an anisotropic spin Hamiltonian was performed and showed good coincidence with the experimental spectra. It was shown that Cu2+ ions enter interstitial octahedral sites of orthorhombic symmetry in the wurtzite crystal structure. Temperature dependence of the EPR linewidth and signal intensity shows a paramagnetic behavior of the sample in the measurement range. A Néel temperature TN = 78 ± 19 K was determined.

Fabrication of folic acid sensor based on the Cu doped SnO2 nanoparticles modified glassy carbon electrode

International Nuclear Information System (INIS)

Lavanya, N; Radhakrishnan, S; Sudhan, N; Sekar, C; Leonardi, S G; Neri, G; Cannilla, C

2014-01-01

A novel folic acid biosensor has been fabricated using Cu doped SnO 2 nanoparticles (NPs) synthesized by a simple microwave irradiation method. Powder XRD and TEM studies confirmed that both the pure and Cu doped SnO 2 (Cu: 0, 10, 20wt%) crystallized in tetragonal rutile-type structure with spherical morphology. The average crystallite size of pure SnO 2 was estimated to be around 16 nm. Upon doping, the crystallite sizes decreased to 9 nm and 5 nm for 10 and 20wt% Cu doped SnO 2 respectively. XPS studies confirmed the electronic state of Sn and Cu to be 4+ and 2+ respectively. Cu (20wt%) doped SnO 2 NPs are proved to be a good sensing element for the determination of folic acid (FA). Cu-SnO 2 NPs (20wt%) modified glassy carbon electrode (GCE) exhibited the lowest detection limit of 0.024 nM over a wide folic acid concentration range of 1.0 × 10 −10 to 6.7 × 10 −5 M at physiological pH of 7.0. The fabricated sensor is highly selective towards the determination of FA even in the presence of a 100 fold excess of common interferent ascorbic acid. The sensor proved to be useful for the estimation of FA content in pharmaceutical sample with satisfactory recovery. (paper)

Doping and defects in YBa2Cu3O7: Results from hybrid density functional theory

KAUST Repository

Schwingenschlögl, Udo

2012-06-21

Modified orbital occupation and inhomogeneous charge distribution in high-Tc oxide compounds due to doping and/or defects play a huge role for the material properties. To establish insight into the charge redistribution, we address metallic YBa2Cu3O7 in two prototypical configurations: Ca doped (hole doping) and O deficient (electron doping). By means of first principles calculations for fully relaxed structures, we evaluate the orbital occupations. We find that the change of the charge density, in particular in the CuO2 planes, shows a complex spatial pattern instead of the expected uniform (de-)population of the valence states.

Catalytic properties of pure and K+-doped Cu O/Mg O system towards 2-propanol conversion

International Nuclear Information System (INIS)

El-Molla, S. A.; Amin, N. H.; Hammed, M. N.; Sultan, S. N.; El-Shobaky, G. A.

2013-01-01

Cu O/Mg O system having different compositions was prepared by impregnation method followed by calcination at 400-900 C. The effect of Cu O content, calcination temperature and doping with small amounts of K + species (1-3 mol %) on physicochemical, surface and catalytic properties of the system were investigated using X-ray diffraction, adsorption of N 2 at - 196 C, and conversion of isopropyl alcohol at 150-400 C using a flow technique. The results revealed that the solids having the formulae 0.2 and 0.3 Cu O/Mg O calcined at 400 C consisted of nano sized Mg O and Cu O as major phases together with Cu 2 O as minor phase. The Bet-surface areas of different absorbents are decreased by increasing Cu O content, calcination temperature and K + -doping. Mg O-support material showed very small catalytic activity in 2-propanol conversion. The investigated system behaved as selective catalyst for dehydrogenation of 2-propanol with selectivity >80%. The catalytic activity increased by increasing Cu O content and decreased by increasing the calcination temperature within 400-900 C. K + -doping increased the catalytic activity and catalytic durability. (Author)

Electronic properties and orbital-filling mechanism in Rb-intercalated copper phthalocyanine

NARCIS (Netherlands)

Evangelista, F.; Gotter, R.; Mahne, N.; Nannarone, S.; Ruocco, A.; Rudolf, P.

2008-01-01

The evolution of the electronic properties of a thin film of copper phthalocyanine deposited on Al(100) and progressively intercalated with rubidium atoms was followed by photoemission and X-ray absorption spectroscopies. Electron donation from the Rb atoms to the C32H16N8Cu molecules results in the

Correlation between electronic structure and energy band in Eu-doped CuInTe2 semiconductor compound with chalcopyrite structure

Institute of Scientific and Technical Information of China (English)

Tai Wang; Yong-Quan Guo; Shuai Li

2017-01-01

The Eu-doped Cu(In,Eu)Te2 semiconductors with chalcopyrite structures are promising materials for their applications in the absorption layer for thin-film solar cells due to their wider band-gaps and better optical properties than those of CulnTe2.In this paper,the Eu-doped CulnTe2 (Culn1-xEuxTe2,x =0,0.1,0.2,0.3) are studied systemically based on the empirical electron theory (EET).The studies cover crystal structures,bonding regularities,cohesive energies,energy levels,and valence electron structures.The theoretical values fit the experimental results very well.The physical mechanism of a broadened band-gap induced by Eu doping into CuInTe2 is the transitions between different hybridization energy levels induced by electron hopping between s and d orbitals and the transformations from the lattice electrons to valence electrons for Cu and In ions.The research results reveal that the photovoltaic effect induces the increase of lattice electrons of In and causes the electric resistivity to decrease.The Eu doping into CuInTe2 mainly influences the transition between different hybridization energy levels for Cu atoms,which shows that the 3d electron numbers of Cu atoms change before and after Eu doping.In single phase CuIn1-xEuxTe2,the number of valence electrons changes regularly with increasing Eu content,and the calculated band gap Eg also increases,which implies that the optical properties of Eu-doped CuIn1-xEuxTe2 are improved.

Analyzing the defect structure of CuO-doped PZT and KNN piezoelectrics from electron paramagnetic resonance.

Science.gov (United States)

Jakes, Peter; Kungl, Hans; Schierholz, Roland; Eichel, Rüdiger-A

2014-09-01

The defect structure for copper-doped sodium potassium niobate (KNN) ferroelectrics has been analyzed with respect to its defect structure. In particular, the interplay between the mutually compensating dimeric (Cu(Nb)'''-V(O)··) and trimeric (V(O)··-Cu(Nb)'''-V(O)··)· defect complexes with 180° and non-180° domain walls has been analyzed and compared to the effects from (Cu'' - V(O)··)(x)× dipoles in CuO-doped lead zirconate titanate (PZT). Attempts are made to relate the rearrangement of defect complexes to macroscopic electromechanical properties.

Efficient Carbon-Based CsPbBr3 Inorganic Perovskite Solar Cells by Using Cu-Phthalocyanine as Hole Transport Material

Science.gov (United States)

Liu, Zhiyong; Sun, Bo; Liu, Xingyue; Han, Jinghui; Ye, Haibo; Shi, Tielin; Tang, Zirong; Liao, Guanglan

2018-06-01

Metal halide perovskite solar cells (PSCs) have attracted extensive research interest for next-generation solution-processed photovoltaic devices because of their high solar-to-electric power conversion efficiency (PCE) and low fabrication cost. Although the world's best PSC successfully achieves a considerable PCE of over 20% within a very limited timeframe after intensive efforts, the stability, high cost, and up-scaling of PSCs still remain issues. Recently, inorganic perovskite material, CsPbBr3, is emerging as a promising photo-sensitizer with excellent durability and thermal stability, but the efficiency is still embarrassing. In this work, we intend to address these issues by exploiting CsPbBr3 as light absorber, accompanied by using Cu-phthalocyanine (CuPc) as hole transport material (HTM) and carbon as counter electrode. The optimal device acquires a decent PCE of 6.21%, over 60% higher than those of the HTM-free devices. The systematic characterization and analysis reveal a more effective charge transfer process and a suppressed charge recombination in PSCs after introducing CuPc as hole transfer layer. More importantly, our devices exhibit an outstanding durability and a promising thermal stability, making it rather meaningful in future fabrication and application of PSCs.[Figure not available: see fulltext.

Superconductivity drives magnetism in δ -doped La2CuO4

Science.gov (United States)

Suter, A.; Logvenov, G.; Boris, A. V.; Baiutti, F.; Wrobel, F.; Howald, L.; Stilp, E.; Salman, Z.; Prokscha, T.; Keimer, B.

2018-04-01

Understanding the interplay between different orders in a solid is a key challenge in highly correlated electronic systems. In real systems this is even more difficult since disorder can have strong influence on the subtle balance between these orders and thus can obscure the interpretation of the observed physical properties. Here we present a study on δ -doped La2CuO4 (δ -LCON ) superlattices. By means of molecular beam epitaxy whole LaO2 layers were periodically replaced by SrO2 layers, providing a charge reservoir yet reducing the level of disorder typically present in doped cuprates to an absolute minimum. The induced superconductivity and its interplay with the antiferromagnetic order is studied by means of low-energy muon spin rotation. We find a quasi-two-dimensional superconducting state which couples to the antiferromagnetic order in a nontrivial way. Below the superconducting transition temperature, the magnetic volume fraction increases strongly. The reason could be a charge redistribution of the free carriers due to the opening of the superconducting gap which is possible due to the close proximity and low disorder between the different ordered regions.

Implications of orbital hybridization on the electronic properties of doped quantum dots: the case of Cu:CdSe

Energy Technology Data Exchange (ETDEWEB)

Wright, Joshua T.; Forsythe, Kyle; Hutchins, Jamie; Meulenberg, Robert W.

2016-04-13

This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of these materials. This information provides insights into many of the physical properties of doped QDs, including the highly debated near-infrared photoluminescence in Cu doped CdSe QDs. We show that all our results point to a common theme of orbital hybridization in Cu doped CdSe QDs which leads to optically and electronically active states below the conduction band minimum. Our model is supported from current–voltage measurements of doped and undoped materials, which exhibit Schottky to Ohmic behavior with Cu doping, suggestive of a tuning of the lowest energy states near the Fermi level.

Molecular dynamics simulations of H2 adsorption in tetramethyl ammonium lithium phthalocyanine crystalline structures.

Science.gov (United States)

Lamonte, Kevin; Gómez Gualdrón, Diego A; Cabrales-Navarro, Fredy A; Scanlon, Lawrence G; Sandi, Giselle; Feld, William; Balbuena, Perla B

2008-12-11

Tetramethyl ammonium lithium phthalocyanine is explored as a potential material for storage of molecular hydrogen. Density functional theory calculations are used to investigate the molecular structure and the dimer conformation. Additional scans performed to determine the interactions of a H2 molecule located at various distances from the molecular sites are used to generate a simple force field including dipole-induced-dipole interactions. This force field is employed in molecular dynamics simulations to calculate adsorption isotherms at various pressures. The regions of strongest adsorption are quantified as functions of temperature, pressure, and separation between molecules in the adsorbent phase, and compared to the regions of strongest binding energy as given by the proposed force field. It is found that the total adsorption could not be predicted only from the spatial distribution of the strongest binding energies; the available volume is the other contributing factor even if the volume includes regions of much lower binding energy. The results suggest that the complex anion is primarily involved in the adsorption process with molecular hydrogen, whereas the cation serves to provide access for hydrogen adsorption in both sides of the anion molecular plane, and spacing between the planes.

Thermoluminescence characteristics of Cu{sub 2}O doped Calcium Lithium borate glass irradiated with the cobalt-60 gamma rays

Energy Technology Data Exchange (ETDEWEB)

Rammadhan, Ismail, E-mail: ismail.rammadhan@koyauniversity.org [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor (Malaysia); Department of Physics, Faculty of Sciences and Health, Koya University, Danielle Mitterrand Boulevard, Koya 45, Kurdistan Region (Iraq); Taha, Saddon [Department of Physics, Faculty of Sciences and Health, Koya University, Danielle Mitterrand Boulevard, Koya 45, Kurdistan Region (Iraq); Wagiran, H. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor (Malaysia)

2017-06-15

The aim of this study is to prepare and investigate the thermoluminescence characteristics for the un-doped and Cu{sub 2}O doped calcium lithium borate glass upon adding various Cu{sub 2}O concentrations of 0.005% to 0.1 mol%. The glasses were prepared by melt quenching method and irradiated with {sup 60}CO gamma-ray having different doses in the range of (0.5–4) Gy, (5–10) Gy, and (20–100) Gy. The amorphous phases were identified for optimization glass samples, effect of heating rate, glowing curves, linearity, sensitivity, fading, reproducibility of response and minimum detectable dose are also studied. The TL sample with 0.02 mol% Cu{sub 2}O concentration has higher response compared to the other samples concentration for a delivered dose of 50 Gy, The recorded glow curves consist a dominant peak at 187 °C for a heating rate of 5 °C s{sup −1}. However, the value of effective atomic number Z{sub eff} is 8.84 for 0.02Cu{sub 2}O doped which are near to the atomic number of soft tissue. - Highlights: •We have prepared and investigate the crystalline structure for the un-doped and Cu{sub 2}O doped calcium lithium borate glass are carried out. •Investigate the amorphous structure of calcium lithium borate glass. •Determine the best setting of annealing temperature, annealing time and heating rate for Cu{sub 2}O doped calcium lithium borate glass. •The doping effects of Cu{sub 2}O on the thermoluminescence properties of calcium lithium borate glass subjected gamma radiations. •The new dosimeter showed simple glow curve with single prominent peak centred at 187 °C and linear dose–response range 0.5–100 Gy, good reproducibility, the fading of the signal is relatively slow. •Effective atomic number for Cu{sub 2}O doped Calcium lithium borate close to the effective atomic number of soft tissue.

Structural and magnetic properties of pure and Cu doped In{sub 2}O{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Krishna, N. Sai; Kaleemulla, S., E-mail: skaleemulla@gmail.com; Rao, N. Madhusudhana; Krishnamoorthi, C.; Begam, M. Rigana [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore – 632014 (India); Amarendra, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam –603102 (India); UGC-DAE-CSR, Kalpakkam Node, Kokilamedu-603104 (India)

2015-06-24

Pure and Cu (7 at.%) doped In{sub 2}O{sub 3} thin films were prepared using an electron beam evaporation technique. A systematic study was carried out on the structural, chemical and magnetic properties of the thin films. X-ray diffraction analysis revealed that all the films were cubic in structure. The pure and Cu doped In{sub 2}O{sub 3} thin films showed ferromagnetism at room temperature. The Cu doped In{sub 2}O{sub 3} thin films showed the saturation magnetization, coercivity and retentivity of 38.71 emu/cm{sup 3}, 245 G and 5.54 emu/cm{sup 3}, respectively.

Enhancement in transport properties of seeded melt-textured YBCO by Cu-site doping

Energy Technology Data Exchange (ETDEWEB)

Zhou, Yu X. [Department of Physics, Hong Kong Baptist University, Kowloon (China); Texas Center for Superconductivity and Department of Mechanical Engineering, University of Houston, Houston, TX (United States); Lo, W.; Salama, Kamel [Texas Center for Superconductivity and Department of Mechanical Engineering, University of Houston, Houston, TX (United States); Tang, Tong B. [Department of Physics, Hong Kong Baptist University, Kowloon (China)

2002-05-01

A significant research effort has been made worldwide to introduce nanometre-scale weak superconducting regions into seeded melt-textured superconductors to enhance their critical current density, trapped magnetic field and levitation force. The enhancement in these properties is dependent on the pinning forces exerted on the magnetic flux lines. In this paper we present a substantial improvement in the transport properties of these materials by optimizing the fabrication conditions, controlling the oxygen deficiency, as well as adjusting the doping level of Zn in YBa{sub 2}(Cu{sub 1-x}Zn{sub x}){sub 3}O{sub 7-}{delta} large grains. The enhancement is found to be as much as 30% by doping between about x=0.001 25 and 0.002 53. The results strongly indicate that the introduction of local nanometre-scale weak superconducting regions by Zn substitution for Cu in the CuO{sub 2} plane enhances the transport properties. Due to the simplicity of the processing conditions, these doping techniques can have a significant potential for a variety of engineering applications. (author)

Development of Smart Phthalocyanine-based Photosensitizers for Photodynamic Therapy

Science.gov (United States)

Chow, Yun Sang

are self-quenched, but separated and activated after cleavage of the acetal linkages. The basic photophysical properties, activation behavior in fluorescence emission, singlet oxygen generation, and in vitro photodynamic activities of this compound have been investigated and compared with those of the non-cleavable analogue. The activation of this tetramer has been demonstrated in the aqueous medium and at the cellular level, in which the fluorescence emission and photosensitizing ability can be greatly enhanced. This tetramer exhibits low dark toxicity and enhanced cytotoxicity upon illumination toward the HT29 human colon adenocarcinoma cells. Glutathione (GSH) is another well-documented stimulus for the design of activatable photosensitizers. It is the most abundant biological thiol which acts as the reducing agent in many biochemical processes. The much higher intracellular GSH concentration compared with the extracellular GSH level provides an activation mechanism. By using this feature, we have developed a series of GSH-responsive phthalocyanine dendrons in order to optimize the molecular design of self-quenched activatable photosensitizers. The aggregation tendency and the activation behavior in fluorescence emission and singlet oxygen generation in aqueous media have been investigated. The in vitro properties of the phthalocyanine dendrons including relative intracellular fluorescence and photocytotoxicity are also examined and presented in Chapter 3.. Chapter 4 reports the molecular design and synthesis of a biotin-decorated GSH-responsive zinc(II) phthalocyanine trimer, in which the phthalocyanine units are severely self-quenched, but are separated and then activated upon cleavage of the disulfide bondings by GSH. The basic photophysical properties, cleavage kinetics, and activation behavior in fluorescence and photosensitizing ability of this compound have been investigated. Its in vitro photodynamic activity, cellular uptake by different cell lines, and

Effect of iron doping on Y-Ba-Cu-O

International Nuclear Information System (INIS)

Abd Halim Shaari; Mansor Hashim; Sidek Hj Abd Aziz; Laily Rafiah Abdullah

1991-01-01

Study on the effect of iron doping at different values of doping percentage (0.00< x<0.06) and hence the influence of magnetic iron on Y-Ba-Cu-O superconductor has been carried out. The conventional technique of sintering is used in preparing the ceramic materials. The crystal structure and their lattice parameters are determined from X-ray diffraction measurements. Observation on the dependence of resistance on temperature is made between room temperature to the boiling point of liquid nitrogen, using four-probe techniques. Magnetisation properties namely the Meissner Effect is also observed by levitating a small piece of permanent magnet on the cooled sample. The X-ray diffraction data show that the phase transitions have been observed; from orthorhombic to tetragonal when the iron doping exceeded ∼0.02. Transition temperature, Tc decrease from ∼87.7K to ∼83K. Meissner Effect is observed for sample doped up to 2% only

Some features of the molecular assembly of copper porphyrazines

International Nuclear Information System (INIS)

Valkova, L.; Borovkov, N.; Kopranenkov, V.; Pisani, M.; Bossi, M.; Rustichelli, F.

2002-01-01

Floating layers and Langmuir-Blodgett (LB) films of copper porphyrazine (CuPaz) and its tetra-tert-butyl-substituted homologue (CuPaz') are studied. Contrary to phthalocyanines, the monolayer phase in the porphyrazine layers is metastable and transforms directly into the tetralayer one under moderate compression. In diffraction patterns and electronic spectra of the LB films, supramolecular peaks indicating collectivizing of the molecular electron density in direction perpendicular to the main axis of the macrocycle are found. The data obtained indicate the prismatic 3-D supermolecule to be the simplest structural unit of the porphyrazine assembly

Optical and magnetic properties of Co-doped CuO flower/plates/particles-like nanostructures.

Science.gov (United States)

Basith, N Mohamed; Vijaya, J Judith; Kennedy, L John; Bououdina, M; Hussain, Shamima

2014-03-01

In this study, pure and Co-doped CuO nanostructures (0.5, 1.0, 1.5, and 2.0 at wt% of Co) were synthesized by microwave combustion method. The prepared samples were characterized by X-ray diffraction (XRD), high resolution scanning electron microscopy (HR-SEM), energy dispersive X-ray analysis (EDX), diffuse reflectance spectroscopy (DRS), photoluminescence (PL) spectroscopy and vibrating sample magnetometry (VSM). Powder X-ray diffraction patterns refined by the Rietveld method indicated the formation of single-phase monoclinic structure. The surface morphology and elemental analysis of Co-doped CuO nanostructures were studied by using HR-SEM and EDX. Interestingly, the morphology was found to change considerably from nanoflowers to nanoplates then to nanoparticles with the variation of Co concentration. The optical band gap calculated using DRS was found to be 2.1 eV for pure CuO and increases up to 3.4 eV with increasing cobalt content. Photoluminescence measurements also confirm these results. The magnetic measurements indicated that the obtained nanostructures were ferromagnetic at room temperature with an optimum value of saturation magnetization at 1.0 wt.% of Co-doped CuO, i.e., 970 micro emu/g.

[Gene doping: gene transfer and possible molecular detection].

Science.gov (United States)

Argüelles, Carlos Francisco; Hernández-Zamora, Edgar

2007-01-01

The use of illegal substances in sports to enhance athletic performance during competition has caused international sports organizations such as the COI and WADA to take anti doping measures. A new doping method know as gene doping is defined as "the non-therapeutic use of genes, genetic elements and/or cells that have the capacity to enhance athletic performance". However, gene doping in sports is not easily identified and can cause serious consequences. Molecular biology techniques are needed in order to distinguish the difference between a "normal" and an "altered" genome. Further, we need to develop new analytic methods and biological molecular techniques in anti-doping laboratories, and design programs that avoid the non therapeutic use of genes.

Can Cu(II) ions be doped into the crystal structure of potassium hydrogen tartrate?

OpenAIRE

Srinivasan, Bikshandarkoil R.; Remesh, H.

2015-01-01

The differing binding preferences of the hydrogen tartrate ligand (HC4H4O6)- namely {\\mu}7-octadentate mode for potassium ion and bidentate mode for cupric ion rules out the doping (incorporation) of any Cu(II) ion into the crystal structure of potassium hydrogen tartrate. Hence, the claim of growth of copper doped potassium hydrogen tartrate viz. K0.96Cu0.04C4H5O6 by Mathivanan and Haris, Indian J Pure App Phys 51 (2013) 851-859 is untenable.

Cu gettering by phosphorus-doped emitters in p-type silicon: Effect on light-induced degradation

Science.gov (United States)

Inglese, Alessandro; Laine, Hannu S.; Vähänissi, Ville; Savin, Hele

2018-01-01

The presence of copper (Cu) contamination is known to cause relevant light-induced degradation (Cu-LID) effects in p-type silicon. Due to its high diffusivity, Cu is generally regarded as a relatively benign impurity, which can be readily relocated during device fabrication from the wafer bulk, i.e. the region affected by Cu-LID, to the surface phosphorus-doped emitter. This contribution examines in detail the impact of gettering by industrially relevant phosphorus layers on the strength of Cu-LID effects. We find that phosphorus gettering does not always prevent the occurrence of Cu-LID. Specifically, air-cooling after an isothermal anneal at 800°C results in only weak impurity segregation to the phosphorus-doped layer, which turns out to be insufficient for effectively mitigating Cu-LID effects. Furthermore, we show that the gettering efficiency can be enhanced through the addition of a slow cooling ramp (-4°C/min) between 800°C and 600°C, resulting in the nearly complete disappearance of Cu-LID effects.

Influence of Cu doping in borosilicate bioactive glass and the properties of its derived scaffolds

Energy Technology Data Exchange (ETDEWEB)

Wang, Hui [School of Materials Science and Engineering, Tongji University, Shanghai 2001804 (China); Zhao, Shichang [Department of Orthopedic Surgery, Shanghai Sixth People' s Hospital, Shanghai Jiao Tong University, Shanghai 200233 (China); Xiao, Wei [Department of Materials Science and Engineering, and Center for Biomedical Science and Engineering, Missouri University of Science and Technology, Rolla, MO 65409-0340 (United States); Xue, Jingzhe [Department of Chemistry, Tongji University, Shanghai 200092 (China); Shen, Youqu [Department of Materials Science and Engineering, and Center for Biomedical Science and Engineering, Missouri University of Science and Technology, Rolla, MO 65409-0340 (United States); Zhou, Jie; Huang, Wenhai [School of Materials Science and Engineering, Tongji University, Shanghai 2001804 (China); Rahaman, Mohamed N. [Department of Materials Science and Engineering, and Center for Biomedical Science and Engineering, Missouri University of Science and Technology, Rolla, MO 65409-0340 (United States); Zhang, Changqing, E-mail: shzhangchangqing@163.com [Department of Orthopedic Surgery, Shanghai Sixth People' s Hospital, Shanghai Jiao Tong University, Shanghai 200233 (China); Wang, Deping, E-mail: wdpshk@tongji.edu.cn [School of Materials Science and Engineering, Tongji University, Shanghai 2001804 (China)

2016-01-01

Copper doped borosilicate glasses (BG–Cu) were studied by means of FT-IR, Raman, UV–vis and NMR spectroscopies to investigate the changes that appeared in the structure of borosilicate glass matrix by doping copper ions. Micro-fil and immunohistochemistry analysis were applied to study the angiogenesis of its derived scaffolds in vivo. Results indicated that the Cu ions significantly increased the B–O bond of BO{sub 4} groups at 980 cm{sup −1}, while they decrease that of BO{sub 2}O{sup −} groups at 1440–1470 cm{sup −1} as shown by Raman spectra. A negative shift was observed from {sup 11}B and {sup 29}Si NMR spectra. The {sup 11}B NMR spectra exhibited a clear transformation from BO{sub 3} into BO{sub 4} groups, caused by the agglutination effect of the Cu ions and the charge balance of the agglomerate in the glass network, leading to a more stable glass network and lower ions release rate in the degradation process. Furthermore, the BG–Cu scaffolds significantly enhanced blood vessel formation in rat calvarial defects at 8 weeks post-implantation. Generally, it suggested that the introduction of Cu into borosilicate glass endowed glass and its derived scaffolds with good properties, and the cooperation of Cu with bioactive glass may pave a new way for tissue engineering. - Highlights: • Agglutination effect of Cu{sup 2+} and charge balance of agglomerate lead to more stable glass. • Lower degradability and lower ions release were found in BG-Cu scaffolds. • Excellent angiogenesis and sustain Cu{sup 2+} release were endowed by doping Cu.

Femtosecond time-resolved two-photon photoemission study of organic semiconductor copper phthalocyanine film

International Nuclear Information System (INIS)

Tanaka, A.; Tohoku University; University of Rochester, NY; Yan, L.; Watkins, N.J.; Gao, Y.

2004-01-01

Full text: Organic semiconductors are recently attracting much interest from the viewpoints of both device and fundamental physics. These organic semiconductors are considered to be important constituents of the future devices, such as organic light-emitting diode, organic field effect transistor, and organic solid-state injection laser. In order to elucidate their detailed physical properties and to develop the future devices, it is indispensable to understand their excited-state dynamics as well as their electronic structures. The femtosecond time-resolved two-photon photoemission (TR-2PPE) spectroscopy is attracting much interest because of its capability to observe the energy-resolved excited electron dynamics. In this work, we have carried out a TR-2PPE study of the organic semiconductor copper phthalocyanine (CuPc) film. Furthermore, we have investigated the detailed electronic structure of CuPc film using the photoemission (PES) and inverse photoemission (IPES) spectroscopies. From the simultaneous PES and IPES measurements for CuPc film with a thickness of 100 nm, the lowest unoccupied molecular orbital (LUMO), highest occupied molecular orbital, and ionization potential of CuPc film have been directly determined. The observed two-photon photoemission (2PPE) spectrum of the present CuPc film, measured with photon energy of about hv=3.3 eV, exhibits a broad feature. From the energy diagram of CuPc film determined by the PES and IPES measurements, the intermediate state observed in the present 2PPE spectrum of CuPc film corresponds to the energy region between about 0.4 and 1.7 eV above the LUMO energy. From the time-resolved pump-probe measurements, it is found that the relaxation lifetimes of excited states in the present CuPc films are very short (all below 50 fs) and monotonously become faster with increasing excitation energy. We attribute this extremely fast relaxation process of photoexcitation to a rapid internal conversion process. From these results

Catalytic properties of pure and K{sup +}-doped Cu O/Mg O system towards 2-propanol conversion

Energy Technology Data Exchange (ETDEWEB)

El-Molla, S. A.; Amin, N. H.; Hammed, M. N.; Sultan, S. N. [Ain Shams University, Faculty of Education, Chemistry Department, Roxy, Heliopolis, Cairo 11757 (Egypt); El-Shobaky, G. A., E-mail: saharelmolla@yahoo.com [National Research Center, Dokki, Cairo (Egypt)

2013-08-01

Cu O/Mg O system having different compositions was prepared by impregnation method followed by calcination at 400-900 C. The effect of Cu O content, calcination temperature and doping with small amounts of K{sup +} species (1-3 mol %) on physicochemical, surface and catalytic properties of the system were investigated using X-ray diffraction, adsorption of N{sub 2} at - 196 C, and conversion of isopropyl alcohol at 150-400 C using a flow technique. The results revealed that the solids having the formulae 0.2 and 0.3 Cu O/Mg O calcined at 400 C consisted of nano sized Mg O and Cu O as major phases together with Cu{sub 2}O as minor phase. The Bet-surface areas of different absorbents are decreased by increasing Cu O content, calcination temperature and K{sup +}-doping. Mg O-support material showed very small catalytic activity in 2-propanol conversion. The investigated system behaved as selective catalyst for dehydrogenation of 2-propanol with selectivity >80%. The catalytic activity increased by increasing Cu O content and decreased by increasing the calcination temperature within 400-900 C. K{sup +}-doping increased the catalytic activity and catalytic durability. (Author)

Phosphorus and Cu2+ removal by periphytic biofilm stimulated by upconversion phosphors doped with Pr3+-Li.

Science.gov (United States)

Zhu, Yan; Zhang, Jianhong; Zhu, Ningyuan; Tang, Jun; Liu, Junzhuo; Sun, Pengfei; Wu, Yonghong; Wong, Po Keung

2018-01-01

Upconversion phosphors (UCPs) can convert visible light into luminescence, such as UV, which can regulate the growth of microbes. Based on these fundamentals, the community composition of periphytic biofilms stimulated by UCPs doped with Pr 3+ -Li + was proposed to augment the removal of phosphorus (P) and copper (Cu). Results showed that the biofilms with community composition optimized by UCPs doped with Pr 3+ -Li + had high P and Cu 2+ removal rates. This was partly due to overall bacterial and algal abundance and biomass increases. The synergistic actions of algal, bacterial biomass and carbon metabolic capacity in the Pr-Li stimulated biofilms facilitated the removal of P and Cu 2+ . The results show that the stimulation of periphytic biofilms by lanthanide-doped UCPs is a promising approach for augmenting P and Cu 2+ removal. Copyright © 2017 Elsevier Ltd. All rights reserved.

Tuning of cu doping on phase transition and high-field phase diagram of Nd{sub 0.5}Sr{sub 0.5}Mn{sub 1−x}Cu{sub x}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Shang, C. [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Xia, Z.C., E-mail: xia9020@hust.edu.cn [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); Wei, M.; Jin, Z.; Chen, B.R.; Shi, L.R. [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Ouyang, Z.W. [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); Huang, S.; Xiao, G.L. [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China)

2016-10-15

Pulsed high magnetic fields up to 52 T have been used in the systematic investigation of the magnetic properties of manganites Nd{sub 0.5}Sr{sub 0.5}Mn{sub 1−x}Cu{sub x}O{sub 3} (0≤x≤0.15). The Cu-doping dependent first-order metamagnetic transitions are observed below the charge ordering temperature, which is ascribed to both Cu-doping and field-induced collapse of the charge ordering with antiferromagnetic phase. Based on the magnetization and electrical transport measurements, a three-dimensional phase diagram with coordinate axis of temperature, magnetic field, and doping level has been obtained, in which the critical fields of the metamagnetic transitions increase with the increase in Cu content and decrease with increasing temperature. The experimental results confirm that Mn-site substitution with Cu destroys the Mn{sup 3+}–O{sup 2−}–Mn{sup 4+} bridges and weakens the double exchange interaction between Mn{sup 3+} and Mn{sup 4+} ions, which shows an obvious tuning effect on the metamagnetic transition under the external magnetic field. - Highlights: • Tuning effect of Cu-doping on the properties of Nd{sub 0.5}Sr{sub 0.5}Mn{sub 1−x}Cu{sub x}O{sub 3} was studied. • First-order metamagnetic transition was observed under high magnetic fields. • A phase diagram with temperature, magnetic field and doping level was obtained. • Cu-doping weakens the ferromagnetic coupling in Nd{sub 0.5}Sr{sub 0.5}Mn{sub 1−x}Cu{sub x}O{sub 3}.

Theoretical modeling of the electronic structure and exchange interactions in a Cu(II)Pc one-dimensional chain

Science.gov (United States)

Wu, Wei; Fisher, A. J.; Harrison, N. M.

2011-07-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine [Cu(II)Pc] crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green’s function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap, and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α and β phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

Synthesis of mesogenic phthalocyanine-C60 donor–acceptor dyads designed for molecular heterojunction photovoltaic devices

Directory of Open Access Journals (Sweden)

Yves Henri Geerts

2009-10-01

Full Text Available A series of phthalocyanine-C60 dyads 2a–d was synthesized. Key steps in their synthesis are preparation of the low symmetry phthalocyanine intermediate by the statistical condensation of two phthalonitriles, and the final esterification of the fullerene derivative bearing a free COOH group. Structural characterization of the molecules in solution was performed by NMR spectroscopy, UV–vis spectroscopy and cyclic voltammetry. Preliminary studies suggest formation of liquid crystalline (LC mesophases for some of the prepared dyads. To the best of our knowledge, this is the first example of LC phthalocyanine-C60 dyads.

Towards functionalization of graphene: in situ study of the nucleation of copper-phtalocyanine on graphene

OpenAIRE

Schwarz, Daniel; Henneke, Caroline; Kumpf, Christian

2016-01-01

Molecular films present an elegant way for the uniform functionalization or doping of graphene. Here, we present an in situ study on the initial growth of copper phthalocyanine (CuPc) on epitaxial graphene on Ir(111). We followed the growth up to a closed monolayer with low energy electron microscopy and selected area electron diffraction (μLEED). The molecules coexist on graphene in a disordered phase without long-range order and an ordered crystalline phase. The local topography of the grap...

Catalytic activity of Pd-doped Cu nanoparticles for hydrogenation as a single-atom-alloy catalyst.

Science.gov (United States)

Cao, Xinrui; Fu, Qiang; Luo, Yi

2014-05-14

The single atom alloy of extended surfaces is known to provide remarkably enhanced catalytic performance toward heterogeneous hydrogenation. Here we demonstrate from first principles calculations that this approach can be extended to nanostructures, such as bimetallic nanoparticles. The catalytic properties of the single-Pd-doped Cu55 nanoparticles have been systemically examined for H2 dissociation as well as H atom adsorption and diffusion, following the concept of single atom alloy. It is found that doping a single Pd atom at the edge site of the Cu55 shell can considerably reduce the activation energy of H2 dissociation, while the single Pd atom doped at the top site or in the inner layers is much less effective. The H atom adsorption on Cu55 is slightly stronger than that on the Cu(111) surface; however, a larger nanoparticle that contains 147 atoms could effectively recover the weak binding of the H atoms. We have also investigated the H atom diffusion on the 55-atom nanoparticle and found that spillover of the produced H atoms could be a feasible process due to the low diffusion barriers. Our results have demonstrated that facile H2 dissociation and weak H atom adsorption could be combined at the nanoscale. Moreover, the effects of doping one more Pd atom on the H2 dissociation and H atom adsorption have also been investigated. We have found that both the doping Pd atoms in the most stable configuration could independently exhibit their catalytic activity, behaving as two single-atom-alloy catalysts.

Electrodeposition of Cu-doped ZnO nanowire arrays and heterojunction formation with p-GaN for color tunable light emitting diode applications

International Nuclear Information System (INIS)

Lupan, O.; Pauporté, T.; Viana, B.; Aschehoug, P.

2011-01-01

Highlights: ► High quality copper-doped zinc oxide nanowires were electrochemically grown at low temperature. ► ZnO:Cu nanowires have been epitaxially grown on Mg-doped p-GaN single-crystalline layers. ► The (ZnO:Cu NWs)/(p-GaN:Mg) heterojunction was used to fabricate a light-emitting diode structure. ► The photo- and electroluminescence emission was red-shifted to the violet spectral region compared to pure ZnO. ► The results are of importance for band-gap engineering of ZnO and for color-tunable LED. - Abstract: Copper-doped zinc oxide (ZnO:Cu) nanowires (NWs) were electrochemically deposited at low temperature on fluor-doped tin oxide (FTO) substrates. The electrochemical behavior of the Cu–Zn system for Cu-doped ZnO electrodeposition was studied and the electrochemical reaction mechanism is discussed. The synthesized ZnO arrayed layers were investigated by using SEM, XRD, EDX, photoluminescence and Raman techniques. X-ray diffraction analysis demonstrates a decrease in the lattice parameters of Cu-doped ZnO NWs. Structural analyses show that the nanomaterial is of hexagonal structure with the Cu incorporated in ZnO NWs probably by substituting zinc in the host lattice. Photoluminescence studies on pure and Cu-doped ZnO NWs shows that the near band edge emission is red-shifted by about 5 or 12 nm depending on Cu(II) concentration in the electrolytic bath solution (3 or 6 μmol l −1 ). Cu-doped ZnO NWs have been also epitaxially grown on Mg doped p-GaN single-crystalline layers and the (ZnO:Cu NWs)/(p-GaN:Mg) heterojunction has been used to fabricate a light-emitting diode (LED) structure. The emission was red-shifted to the visible violet spectral region compared to pure ZnO. The present work demonstrates the ability of electrodeposition to produce high quality ZnO nanowires with tailored optical properties by doping. The obtained results are of great importance for further studies on bandgap engineering of ZnO, for color-tunable LED applications

The complex nature of phthalocyanine/gold interfaces

International Nuclear Information System (INIS)

Lindner, Susi; Treske, Uwe; Knupfer, Martin

2013-01-01

We compare the electronic properties of the interface between Au(1 0 0) and cobalt phthalocyanine (CoPc), fluorinated F 16 CoPc as well as CuPc using X-ray photoemission spectroscopy and valence band ultra-violet photoemission spectroscopy. Our results show that in addition to the formation of an interface dipole at the interfaces of CoPc and F 16 CoPc to gold, there is a local charge transfer to the central Co ion, which as a result is reduced to Co(I).

Photocatalytic performance of Cu-doped TiO2 nanofibers treated by the hydrothermal synthesis and air-thermal treatment

Science.gov (United States)

Wu, Ming-Chung; Wu, Po-Yeh; Lin, Ting-Han; Lin, Tz-Feng

2018-02-01

Series of transition metal-doped TiO2 (metal/TiO2) is prepared by combining the hydrothermal synthesis and air-thermal treatment without any reduction process. The selected transition metal precursors, including Ag, Au, Co, Cr, Cu, Fe, Ni, Pd, Pt, Y, and Zn, were individually doped into TiO2 nanofibers to evaluate the photocatalytic degradation activity and photocatalytic hydrogen generation. Consider the photocatalytic performance of these synthesized metal/TiO2 under UV-A irradiation, copper doped TiO2 nanofibers (Cu/TiO2 NFs) was chosen for further study due to its extraordinary reactivity. Systematical studies were spread to optimize the doping concentration and the calcination condition for much higher photocatalytic activity Cu/TiO2 NFs. In the photocatalytic degradation test, 0.5 mol%-Cu/TiO2 NFs calcined at 650 °C exhibits the highest activity, which is even higher than commercial TiO2-AEROXIDE® TiO2 P25 under UV-A irradiation. The synthesized 0.5 mol%-Cu/TiO2-650 NFs also have the capability in the photocatalytic hydrogen production. The hydrogen evolution rates are 200 μmol/g·h under UV-A irradiation and 280 μmol/g·h under UV-B irradiation. The density of state calculated by CASTEP for Cu/TiO2 indicates that Cu doping contributes to the states near valence band edge and narrows the band gap. The disclosed process in this study is industrial safe, convenient and cost-effective. We further produce a significant amount of TiO2-based catalysts without any hydrogen reduction treatment.

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

Directory of Open Access Journals (Sweden)

Florian Rückerl

2017-08-01

Full Text Available Manganese phthalocyanine (MnPc is a member of the family of transition-metal phthalocyanines, which combines interesting electronic behavior in the fields of organic and molecular electronics with local magnetic moments. MnPc is characterized by hybrid states between the Mn 3d orbitals and the π orbitals of the ligand very close to the Fermi level. This causes particular physical properties, different from those of the other phthalocyanines, such as a rather small ionization potential, a small band gap and a large electron affinity. These can be exploited to prepare particular compounds and interfaces with appropriate partners, which are characterized by a charge transfer from or to MnPc. We summarize recent spectroscopic and theoretical results that have been achieved in this regard.

Comparison of interaction mechanisms of copper phthalocyanine and nickel phthalocyanine thin films with chemical vapours

Science.gov (United States)

Ridhi, R.; Singh, Sukhdeep; Saini, G. S. S.; Tripathi, S. K.

2018-04-01

The present study deals with comparing interaction mechanisms of copper phthalocyanine and nickel phthalocyanine with versatile chemical vapours: reducing, stable aromatic and oxidizing vapours namely; diethylamine, benzene and bromine. The variation in electrical current of phthalocyanines with exposure of chemical vapours is used as the detection parameter for studying interaction behaviour. Nickel phthalocyanine is found to exhibit anomalous behaviour after exposure of reducing vapour diethylamine due to alteration in its spectroscopic transitions and magnetic states. The observed sensitivities of copper phthalocyanine and nickel phthalcyanine films are different in spite of their similar bond numbers, indicating significant role of central metal atom in interaction mechanism. The variations in electronic transition levels after vapours exposure, studied using UV-Visible spectroscopy confirmed our electrical sensing results. Bromine exposure leads to significant changes in vibrational bands of metal phthalocyanines as compared to other vapours.

Active and passive control of zinc phthalocyanine photodynamics

NARCIS (Netherlands)

Sharma, Divya; Huijser, Jannetje Maria; Savolainen, Janne; Steen, Gerrit Willem; Herek, Jennifer Lynn

2013-01-01

In this work we report on the ultrafast photodynamics of the photosensitizer zinc phthalocyanine (ZnPc) and manipulation thereof. Two approaches are followed: active control via pulse shaping and passive control via strategic manipulation in the periphery of the molecular structure. The objective of

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

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

Electronic structure of copper phthalocyanine : An experimental and theoretical study of occupied and unoccupied levels

NARCIS (Netherlands)

Evangelista, Fabrizio; Carravetta, Vincenzo; Stefani, Giovanni; Jansik, Branislav; Alagia, Michele; Stranges, Stefano; Ruocco, Alessandro

2007-01-01

An experimental and theoretical study of the electronic structure of copper phthalocyanine (CuPc) molecule is presented. We performed x-ray photoemission spectroscopy (XPS) and photoabsorption [x-ray absorption near-edge structure (XANES)] gas phase experiments and we compared the results with

Post-annealing effect on the room-temperature ferromagnetism in Cu-doped ZnO thin films

International Nuclear Information System (INIS)

Hu, Yu-Min; Kuang, Chein-Hsiun; Han, Tai-Chun; Yu, Chin-Chung; Li, Sih-Sian

2015-01-01

In this work, we investigated the structural and magnetic properties of both as-deposited and post-annealed Cu-doped ZnO thin films for better understanding the possible mechanisms of room-temperature ferromagnetism (RT-FM) in ZnO-based diluted magnetic oxides. All of the films have a c-axis-oriented wurtzite structure and display RT-FM. X-ray photoelectron spectroscopy results showed that the incorporated Cu ions in as-deposited films are in 1+ valence state merely, while an additional 2+ valence state occurs in post-annealed films. The presence of Cu 2+ state in post-annealed film accompanies a higher magnetization value than that of as-deposited film and, in particular, the magnetization curves at 10 K and 300 K of the post-annealed film separate distinctly. Since Cu 1+ ion has a filled 3d band, the RT-FM in as-deposited Cu-doped ZnO thin films may stem solely from intrinsic defects, while that in post-annealed films is enhanced due to the presence of CuO crystallites

Aluminum doping of CuInSe{sub 2} synthesized by solution process and its effect on structure, morphology, and bandgap tuning

Energy Technology Data Exchange (ETDEWEB)

Yan, Zhi; Deng, Weizhi; Zhang, Xia; Yuan, Qian; Deng, Peiran; Sun, Lei [Material Engineering College, Shanghai University of Engineering Science (China); Liang, Jun [School of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen University Town (China)

2014-11-15

Al-doped CuInSe{sub 2} material is prepared by a low-cost wet chemical process. The key properties of Al-doped CuInSe{sub 2} as a successful solar cell material are investigated, such as crystal structure, morphology, optical properties, and bandgap. In situ X-ray diffraction measurements indicate that the doping of Al has induced noticeable lattice distortion. The material shows excellent thermal stability up to 600 C annealing temperature. By increasing the Al-doping concentration, the crystal unit-cell parameter of the material becomes smaller and the change of crystal structure leads to an increase of the grain size and surface roughness. The bandgap of Al-doped CuInSe{sub 2} can be continuously tuned in a range of 1.07-1.67 eV as Al/(Al + In) content ratio varies from 0 to 0.49. Finally, the effect mechanism on the properties of CuInSe{sub 2} after Al doping is discussed based on the ionic radius, crystal structure, and bonding state. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Photophysical properties of a novel axially substituted tetra-α-(pentyloxy) Titanium(IV) Phthalocyanine - Hematoxylin

Science.gov (United States)

Jiang, Yufeng; Lv, Huafei; Yu, Xinxin; Pan, Sujuan; Zhang, Tiantian; Huang, Yide; Wang, Yuhua; Xie, Shusen; Yang, Hongqin; Peng, Yiru

2017-06-01

Metal phthalocyanines (MPcs) are a very important class of widespread application compounds. They are not only used as dyes but also used as catalysts, data storage, electron charge carriers in photocopiers, photoconductors in chemical sensors, and photo-antenna devices in photosysthesis, photovoltaic cells. A particular application of Pcs is that it was used as a photosensitizers (PS) for treatment of certain cancer by photodynamic therapy of cancer and non-cancer diseases. However, the molecular aggregation of phthalocyanines, which is an intrinsic property of these large π-π conjugated systems, provides an efficient non-radioactive energy relaxation pathway, thereby shortening the excited state lifetimes, and reducing the photosensitizing and target efficiency. To overcome these problems, the introduction of axial ligands to phthalocyanine can prevent the formation of aggregation to some extend. In this paper, hematoxylin axially substituted tetra-α-(pentoxy) titanium (IV) phthalocyanine (TiPc(OC5H11)4-Hematoxylin) were characterized by elemental analysis, IR, 1H NMR, UV-Vis, fluorescence spectra. No obviously Q band change was observed after the hematoxylin was substituted at the peripheral position of substituted phthalocyanine ring. Because of the rigidity structure of the hematoxylin, the fluorescence intensity of hematoxylin peripheral substituted phthalocyanine decreased compared with free substituted phthalocyanines. The fluorescence lifetimes of axially substituted phthalocyanine was fitted to be 3.613 ns. This compound may be considered as a promising photosensitizer for PDT.

Recombination luminescence of Cu and/or Ag doped lithium tetraborate single crystals

Energy Technology Data Exchange (ETDEWEB)

Romet, I. [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); Aleksanyan, E. [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); A. Alikhanyan National Science Laboratory, 2 Br. Alikhanyan Str., 0036 Yerevan (Armenia); Brik, M.G. [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); College of Sciences, Chongqing University of Posts and Telecommunications, 400065 Chongqing (China); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Corradi, G. [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, Konkoly-Thege M. út 29-33, H-1121 Budapest (Hungary); Kotlov, A. [Photon Science at DESY, Notkestrasse 85, 22607 Hamburg (Germany); Nagirnyi, V., E-mail: vitali.nagirnoi@ut.ee [Institute of Physics, University of Tartu, W. Ostwaldi Str. 1, 50411 Tartu (Estonia); Polgár, K. [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, Konkoly-Thege M. út 29-33, H-1121 Budapest (Hungary)

2016-09-15

Complex investigations of thermostimulated luminescence (TSL) and radioluminescence properties of Li{sub 2}B{sub 4}O{sub 7} (LTB), LTB:Cu, LTB:Ag and LTB:Cu, Ag crystals suitable for tissue equivalent dosimeters were carried out in the temperature range 4.2–700 K. TSL, cathodoluminescence and X-ray excited luminescence spectra are compared to those measured under photoexcitation. The emission band at 4.6 eV in LTB:Ag is reliably related to Ag{sup +} ions based on the comparison of the results of optical spectroscopy studies and first principle calculations. Energy transfer from the relaxed exited state of the Ag{sup +} ion to the Cu{sup +} ion in double-doped LTB:Cu, Ag crystals is demonstrated. Thermostimulated recombination of charge carriers in irradiated crystals is seen to take place mainly at oxygen sites at low temperatures and at impurity sites at high temperatures. For the first time, the appearance of the low-temperature TSL peak at 90 K is assigned to ionic processes in LTB crystals. The appearance of pyroelectric flashes due to the lattice relaxation in the temperature region 90–240 K is demonstrated and their surface-related nature clarified. In accordance with EPR studies the dosimetric TSL peaks in copper and silver doped LTB crystals are attributed to thermally released electrons recombining with Cu{sup 2+} and Ag{sup 2+} centres.

Efficient photocatalytic performance enhancement in Co-doped ZnO nanowires coupled with CuS nanoparticles

Science.gov (United States)

Li, Wei; Wang, Guojing; Feng, Yimeng; Li, Zhengcao

2018-01-01

In this research, a kind of highly efficient semiconductor photocatalyst was fabricated by depositing CuS nanoparticles uniformly on the surface of Co-doped ZnO nanowires. ZnO nanowires were synthesized by hydrothermal method and CuS nanoparticles were modified by successive ionic layer adsorption and reaction (SILAR). By conducting methyl orange (MO) degradation experiments under the illumination of visible light, the photocatalytic activity of Co-doped ZnO nanowires modified with CuS nanoparticles was found to be nearly three times active when compared to bare ZnO nanowires. Its superior photocatalytic performance has two main reasons. The doped Co2+ ions can inhibit the recombination of photo-generated electron-hole pairs and decrease the optical bandgap, while the p-n heterostructure can enhance the visible light absorption ability and promote the separation of photo-excited charge carriers. Furthermore, the effect of the amount of deposited CuS nanoparticles on the photocatalysis was also investigated. The photocatalytic efficiency firstly raised along with the increment of SILAR cycle times and reached a maximum at 10 cycles but then decreased as the cycle times continue to increase. This originates from that an excessive amount of CuS would not only cover the active reacting sites, but also serve as recombination centers. Overall, this new nanostructure is expected to work as an efficient photocatalyst.

Photovoltaic properties of sintered CdS/CdTe solar cells doped with Cu

International Nuclear Information System (INIS)

Park, J.W.; Ahn, B.T.; Im, H.B.; Kim, C.S.

1992-01-01

In this paper, all polycrystalline CdS/CdTe solar cells doped with Cu are prepared by a screen printing and sintering method. Cell parameters of the sintered CdS/CdTe solar cells have been investigated in an attempt to find out the optimum doping conditions and concentrations of Cu by adding various amounts of CuCl 2 either into CdTe layer or into back contact carbon layer. Cell parameters of the sintered CdS/CdTe solar cells which contained various amounts of CuCl 2 in the CdTe layers before sintering stay at about the same values as the amount of CuCl 2 increases up to 25 ppm, and then decreases sharply as the amount of CuCl 2 further increases. The Cu added in the CdTe layer diffuses into the CdS layer during the sintering of the CdS-CdTe composite at 625 degrees C to densify the CdTe layer and causes the decrease in the optical transmission of CdS resulting in the degradation of the cell performance. In case the Cu dopant was dispersed in the back carbon paint and was followed by annealing, all cell parameters are improved significantly compared with those fabricated by adding CuCl 2 in the CdTe layer before sintering. A sintered CdS/CdTe solar cell which contained 25 ppm CuCl 2 in the carbon paste and was annealed at 350 degrees C for 10 min shows the highest efficiency. The efficiency of this cell is 12.4% under solar irradiation with an intensity of 80.4 mW/cm 2

Preparation and properties of KCl-doped Cu2O thin film by electrodeposition

International Nuclear Information System (INIS)

Yu, Xiaojiao; Li, Xinming; Zheng, Gang; Wei, Yuchen; Zhang, Ama; Yao, Binghua

2013-01-01

With the indium tin oxide-coated glass as working electrode, cuprous oxide thin film is fabricated by means of electrodeposition. The effects of KCl doped and annealing treatment upon Cu 2 O thin film morphology, surface resistivity, open-circuit voltage, electric conduction types and visible light response are studied. The research results indicate that KCl doped has a great effect upon Cu 2 O crystal morphology, thus, making Cu 2 O thin film surface resistivity drop, and the open-circuit voltage increase and that electric conduction types are transformed from p type into n type, and the visible light (400–500 nm) absorption rate is slightly reduced. Annealing treatment can obviously decrease Cu 2 O thin film surface resistivity and improve its open-circuit voltage. When KCl concentration in electrolytic solution reaches 7 mmol/L, Cu 2 O thin film morphology can be changed from the dendritic crystal into the cubic crystal and Cu 2 O thin film surface resistivity decreases from the initial 2.5 × 10 6 Ω cm to 8.5 × 10 4 Ω cm. After annealing treatment at 320 °C for 30 min, the surface resistivity decreases to 8.5 × 10 2 Ω cm, and the open-circuit voltage increases from the initial 3.1 mV to 79.2 mV.

Hole-doping effects on the magnetic properties of the La4Ba2Cu2O10 ferromagnet

International Nuclear Information System (INIS)

Mizuno, F.; Masuda, H.; Hirabayashi, I.; Tanaka, S.; Mochiku, T.; Asano, H.; Izumi, F.

1992-01-01

Hole-doping effects by Ba substitution for La in La 4-x Ba 2+x Cu 2 O 10 (0 ≤ x ≤ 1) have been studied to explore the possibilities of its metal-insulator transition and superconductivity. We have not detected any symptoms for metal-insulator transition, but found certain evidence for the hole-doping effect. We observed the dilution effect of Cu 2+ spin by non-magnetic Cu 3+ on the ferromagnetic transition temperature and the reduction of effective magnetic moment. (orig.)

Positron annihilation study of YBa2Cu3Oy superconductors doped with SnO2

International Nuclear Information System (INIS)

Chen, A.; Zhi, Y.; Li Biaorong; Wang Shaojie

1992-01-01

The positron annihilation lifetime spectra of YBa 2 Cu 3 O y superconductors doped with SnO 2 were measured. The results indicate that the tin element substitutes for Cu(1) sites. A brief discussion is given based on the experimental results. (orig.)

Electron transport in doped fullerene molecular junctions

Science.gov (United States)

Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

The effect of doping on the electron transport of molecular junctions is analyzed in this paper. The doped fullerene molecules are stringed to two semi-infinite gold electrodes and analyzed at equilibrium and nonequilibrium conditions of these device configurations. The contemplation is done using nonequilibrium Green’s function (NEGF)-density functional theory (DFT) to evaluate its density of states (DOS), transmission coefficient, molecular orbitals, electron density, charge transfer, current, and conductance. We conclude from the elucidated results that Au-C16Li4-Au and Au-C16Ne4-Au devices behave as an ordinary p-n junction diode and a Zener diode, respectively. Moreover, these doped fullerene molecules do not lose their metallic nature when sandwiched between the pair of gold electrodes.

Effect of strain on the structural and optical properties of Cu-N co-doped ZnO thin films

International Nuclear Information System (INIS)

Zhao Yue; Zhou Mintao; Li Zhao; Lv Zhiyong; Liang Xiaoyan; Min Jiahua; Wang Linjun; Shi Weimin

2011-01-01

Polycrystalline ZnO thin films co-doped with Cu and N have been obtained by chemical bath deposition. Introduction of Cu and N causes the change of strained stress in ZnO films, which subsequently affects the structural and optical properties. The dependence of structural and optical properties of the ZnO films on lattice strained stress is investigated by XRD measurement, SEM, PL spectrum, optical reflection and Raman spectrum. The result of photoluminescence of Cu-N co-doped ZnO films indicates that the UV emission peaks shift slightly towards higher energy side with decrease in tensile strain and vise versa. The blue-shift of the absorption edge and up-shift of E2 (high) mode of the films can be observed in the optical reflection and Raman spectra. - Highlights: →Cu-N co-doped ZnO is first prepared by the wet chemical method. → Stress is produced by the introduction of Cu and N atoms. → Effect of stress on the structural and optical properties of ZnO film is investigated. → Cu concentration will be used to control the structural and optical properties.

Enhancement in visible light-responsive photocatalytic activity by embedding Cu-doped ZnO nanoparticles on multi-walled carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Ahmad, M., E-mail: mzkhm73@gmail.com [Department of Physics, Bahauddin Zakariya University, Multan 60800 (Pakistan); State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Ahmed, E., E-mail: profejaz@gmail.com [Department of Physics, Bahauddin Zakariya University, Multan 60800 (Pakistan); Hong, Z.L.; Jiao, X.L. [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Abbas, T. [Institute of Industrial Control System, Rawalpindi (Pakistan); Khalid, N.R. [Department of Physics, Bahauddin Zakariya University, Multan 60800 (Pakistan); State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

2013-11-15

Copper doped ZnO nanoparticles embedded on multi-walled carbon nanotubes (CNTs) were successfully synthesized using a facile, nontoxic sol method. The resulting visible light-responsive Cu-doped ZnO/CNTs composites were characterized using powder X-ray diffraction (XRD), high resolution transmission electron microscope (HR-TEM), transmission electron microscope (TEM), scanning electron microscope (SEM) with energy dispersive X-ray analysis (EDX), X-ray photoelectron spectroscopy (XPS) and Brunauer Emmett Teller (BET) surface area analyzer. Optical properties of Cu-doped ZnO/CNTs nanocomposites, studied using UV–vis diffuse reflectance spectroscopy and photoluminescence spectroscopy (PL), which exhibited extended light absorption in visible light region and possessed better charge separation capability, respectively as compared to Cu-doped ZnO, pure ZnO and ZnO/CNTs composite. The photocatalytic activity was tested by degradation of methyl orange (MO) dye under visible light irradiation. The results demonstrated that Cu-doped ZnO/CNTs nanocomposites effectively bleached out MO, showing an impressive photocatalytic enhancement over ZnO, commercial ZnO, Cu-doped ZnO nanoparticles and ZnO/CNTs nanocomposites. Chemical oxygen demand (COD) of textile wastewater was also measured before and after the photocatalysis experiment under sunlight to evaluate the mineralization of wastewater. The significant decrease in COD of the treated effluent revealed a complete destruction of the organic molecules along with color removal. This dramatically enhanced photoactivity of nanocomposite photocatalysts was attributed to greater adsorptivity of dyes, extended light absorption and increased charge separation efficiency due to excellent electrical properties of carbon nanotubes and the large surface area.

Reentrant metal-insulator transition in the Cu-doped manganites La1-x Pbx MnO3 (x˜0.14) single crystals

Science.gov (United States)

Zhao, B. C.; Song, W. H.; Ma, Y. Q.; Ang, R.; Zhang, S. B.; Sun, Y. P.

2005-10-01

Single crystals of La1-x Pbx Mn1-y-z Cuy O3 ( x˜0.14 ; y=0 ,0.01,0.02,0.04,0.06; z=0.02 ,0.08,0.11,0.17,0.20) are grown by the flux growth technique. The effect of Cu doping at the Mn-site on magnetic and transport properties is studied. All studied samples undergo a paramagnetic-ferromagnetic transition. The Curie temperature TC decreases and the transition becomes broader with increasing Cu-doping level. The high-temperature insulator-metal (I-M) transition moves to lower temperature with increasing Cu-doping level. A reentrant M-I transition at the low temperature T* is observed for samples with y⩾0.02 . In addition, T* increases with increasing Cu-doping level and is not affected by applied magnetic fields. Accompanying the appearance of T* , there exists a large, almost constant magnetoresistance (MR) below T* except for a large MR peak near TC . This reentrant M-I transition is ascribed to charge carrier localization due to lattice distortion caused by the Cu doping at Mn sites.

Novel non-symmetrical bifunctionally-substituted phthalonitriles and corresponding d-metal phthalocyaninates

Science.gov (United States)

Vashurin, Artur; Maizlish, Vladimir; Tikhomirova, Tatiyana; Nemtseva, Marina; Znoyko, Serafima; Aleksandriiskii, Viktor

2018-05-01

The work reports synthesis of 4-(2-tert-butyl-4,5-dicyanophenylsulfonyl)benzene and its analogue containing carboxyl group in phenyl fragment by nucleophilic substitution of nitro-group of 4-tert-butyl-5-nitrophthalonitrile. Unique structure of the obtained compounds is explained by presence of bulky tert-butyl substituent in combination with carboxyl group, which being part of phthalocyanine molecule impart it higher solubility within different solvents (organic and water mediums) and act as anchoring groups. Based on obtained nitriles phthalocyanine complexes of copper, nickel, cobalt and magnesium are synthesized with good yields. Demetallization of initial magnesium phthalocyanine by hydrochloric acid was performed in order to obtain ligand of phthalocyanine. Synthetic and purification techniques are described in detail. Obtained substances are of specific structure making them to be applied in sensorics for smart materials production, as sensitizers or part of molecular magnets. The structure, NMR and IR spectra are modeled using special software. Resulting experimental and theoretical data are compared. The results show sufficient correlation that confirms correctness of chosen methods and its applicability for theoretical studying compounds related to investigated ones.

Molecular bridges

NARCIS (Netherlands)

Berkelaar, R.P.; Söde, H.; Mocking, T.F.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Henricus J.W.

2011-01-01

The adsorption of Cu-phthalocyanine (CuPc) molecules on Au-modified Ge(001) surfaces has been studied with low-temperature scanning tunneling microscopy. The Au-modified Ge(001) surface consists of well-ordered arrays of perfectly straight nanowires, which are separated by 1.6 nm wide and about 0.6

Effect of cobalt doping on thermal conductivity of YBa2Cu3O7-δ superconductor

International Nuclear Information System (INIS)

Suleiman, B.M.; Boerjesson, L.; Berastegui, P.

1996-01-01

The thermal conductivity of YBa 2 Cu 3 O 7-δ and YBa 2 Cu 3-x Co x O 7-δ (x=0.1) sintered compounds has been measured to investigate the effect of Co doping on the thermal conduction processes. The measurements were performed using the transient-plane-source technique. The thermal conductivity of the doped sample qualitatively resembles that of the corresponding undoped sample, but with values a factor of 2 lower. This decrease in thermal conductivity is attributed to scattering mechanisms due to enhancement of the microstructural imperfections and the decoupling between the conducting Cu-O planes as a result of Co-doping in the chain sites. An attempt was made to interpret the peak of the thermal conductivity below T c in terms of a theoretical model based on weakly damped collective electron excitations of the Bose type, with an acoustic dispersion relation (acoustic plasmons), inside the superconducting gap 2Δ(T). copyright 1996 The American Physical Society

A Novel Method for Preparation of Zn-Doped CuInS2 Solar Cells and Their Photovoltaic Performance

Directory of Open Access Journals (Sweden)

Cheng-Hsiung Peng

2013-01-01

Full Text Available In this study, a novel method was proposed to synthesize high quality Zn-doped CuInS2 nanocrystals under high frequency magnetic field at ambient conditions. The magnetic Zn-doping gave superparamagnetic heating of the resulting nanocrystals via magnetic induction, causing an accelerating growth rate of the doped CuInS2 under ambient conditions faster than conventional autoclave synthesis. Shape evolution of the Zn-doped CuInS2 nanocrystals from initially spherical to pyramidal, to cubic, and finally to a bar geometry was detected as a function of time of exposure to magnetic induction. These colloidal solvents with different shaped nanocrystals were further used as “nanoink” to fabricate a simple thin film solar device; the best efficiency we obtained of these crystals was 1.01% with a 1.012 μm thickness absorber layer (bar geometry. The efficiency could be promoted to 1.44% after the absorber was thickened to 2.132 μm.

Minor-Cu doped soft magnetic Fe-based FeCoBCSiCu amorphous alloys with high saturation magnetization

Science.gov (United States)

Li, Yanhui; Wang, Zhenmin; Zhang, Wei

2018-05-01

The effects of Cu alloying on the amorphous-forming ability (AFA) and magnetic properties of the P-free Fe81Co5B11C2Si1 amorphous alloy were investigated. Addition of ≤ 1.0 at.% Cu enhances the AFA of the base alloy without significant deterioration of the soft magnetic properties. The Fe80.5Co5B11C2Si1Cu0.5 alloy with the largest critical thickness for amorphous formation of ˜35 μm possesses a high saturation magnetization (Bs) of ˜1.78 T, low coercivity of ˜14.6 A/m, and good bending ductility upon annealing in a wide temperature range of 513-553 K with maintaining the amorphous state. The fabrication of the new high-Fe-content Fe-Co-B-C-Si-Cu amorphous alloys by minor doping of Cu gives a guideline to developing high Bs amorphous alloys with excellent AFA.

Shape-controlled synthesis of Sn-doped CuO nanoparticles for catalytic degradation of Rhodamine B

Czech Academy of Sciences Publication Activity Database

Vomáčka, Petr; Štengl, Václav; Henych, Jiří; Kormunda, M.

2016-01-01

Roč. 481, NOV (2016), s. 28-38 ISSN 0021-9797 R&D Projects: GA MŠk(CZ) LM2015073 Institutional support: RVO:61388980 Keywords : Sn-doped CuO * Tin doping * Copper oxide * Catalyst * Catalytic activity * Morphology Subject RIV: CA - Inorganic Chemistry Impact factor: 4.233, year: 2016

Enhanced photovoltaic performance of quantum dot-sensitized solar cells with a progressive reduction of recombination using Cu-doped CdS quantum dots

International Nuclear Information System (INIS)

Muthalif, Mohammed Panthakkal Abdul; Lee, Young-Seok; Sunesh, Chozhidakath Damodharan; Kim, Hee-Je; Choe, Youngson

2017-01-01

Highlights: • Cu-doped CdS QDs were deposited on TiO_2 by SILAR method. • Cu-doped CdS electrodes contributes reduction of charge recombination and longer electron lifetime. • A promising power conversion efficiency of 3% is obtained for the Cu-doped CdS Quantum dot sensitized solar cell. - Abstract: In this article, we have systematically probed the effect of Cu-doping in CdS quantum dots (QDs) to enhance the photovoltaic performance of the quantum dot-sensitized solar cells (QDSSCs). The Cu-doped CdS photoanodes were prepared by successive ionic layer adsorption and reaction (SILAR) method and the corresponding cell devices were fabricated using CuS counter electrodes with a polysulfide electrolyte. The photovoltaic performance results demonstrate that 3 mM Cu-doped CdS QDs based QDSSCs exhibit the efficiency (η) of 3% including J_S_C = 9.40 mA cm"−"2, V_O_C = 0.637 V, FF = 0.501, which are higher than those with bare CdS (η = 2.05%, J_S_C = 7.12 mA cm"−"2, V_O_C = 0.588 V, FF = 0.489). The structural, topographical and optical properties of the thin films have been studied with the help of X-ray diffraction pattern (XRD), atomic force microscopy (AFM) and UV–vis spectrophotometer. Electrochemical impedance spectroscopy (EIS) and open circuit voltage decay (OCVD) measurements indicate that Cu-dopant can inhibit the charge recombination at the photoanode/electrolyte interface and extend the lifetime of electrons. These results reveal that incorporation of copper metal in CdS QDs is a simple and effective method to improve the photovoltaic properties of QDSSCs.

Enhanced photovoltaic performance of quantum dot-sensitized solar cells with a progressive reduction of recombination using Cu-doped CdS quantum dots

Energy Technology Data Exchange (ETDEWEB)

Muthalif, Mohammed Panthakkal Abdul [Department of Polymer Science and Chemical Engineering, Pusan National University, Geumjeong-Ku, Jangjeong-Dong, Busan 609-735 (Korea, Republic of); Lee, Young-Seok [School of Electrical Engineering, Pusan National University, Geumjeong-Ku, Jangjeong-Dong, Busan 609-735 (Korea, Republic of); Sunesh, Chozhidakath Damodharan [Department of Polymer Science and Chemical Engineering, Pusan National University, Geumjeong-Ku, Jangjeong-Dong, Busan 609-735 (Korea, Republic of); Kim, Hee-Je [School of Electrical Engineering, Pusan National University, Geumjeong-Ku, Jangjeong-Dong, Busan 609-735 (Korea, Republic of); Choe, Youngson, E-mail: choe@pusan.ac.kr [Department of Polymer Science and Chemical Engineering, Pusan National University, Geumjeong-Ku, Jangjeong-Dong, Busan 609-735 (Korea, Republic of)

2017-02-28

Highlights: • Cu-doped CdS QDs were deposited on TiO{sub 2} by SILAR method. • Cu-doped CdS electrodes contributes reduction of charge recombination and longer electron lifetime. • A promising power conversion efficiency of 3% is obtained for the Cu-doped CdS Quantum dot sensitized solar cell. - Abstract: In this article, we have systematically probed the effect of Cu-doping in CdS quantum dots (QDs) to enhance the photovoltaic performance of the quantum dot-sensitized solar cells (QDSSCs). The Cu-doped CdS photoanodes were prepared by successive ionic layer adsorption and reaction (SILAR) method and the corresponding cell devices were fabricated using CuS counter electrodes with a polysulfide electrolyte. The photovoltaic performance results demonstrate that 3 mM Cu-doped CdS QDs based QDSSCs exhibit the efficiency (η) of 3% including J{sub SC} = 9.40 mA cm{sup −2}, V{sub OC} = 0.637 V, FF = 0.501, which are higher than those with bare CdS (η = 2.05%, J{sub SC} = 7.12 mA cm{sup −2}, V{sub OC} = 0.588 V, FF = 0.489). The structural, topographical and optical properties of the thin films have been studied with the help of X-ray diffraction pattern (XRD), atomic force microscopy (AFM) and UV–vis spectrophotometer. Electrochemical impedance spectroscopy (EIS) and open circuit voltage decay (OCVD) measurements indicate that Cu-dopant can inhibit the charge recombination at the photoanode/electrolyte interface and extend the lifetime of electrons. These results reveal that incorporation of copper metal in CdS QDs is a simple and effective method to improve the photovoltaic properties of QDSSCs.

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

Structural and optical properties of Cu-doped ZnS nanoparticles formed in chitosan/sodium alginate multilayer films.

Science.gov (United States)

Wang, Liping; Sun, Yujie; Xie, Xiaodong

2014-05-01

Chitosan/alginate multilayers were fabricated using a spin-coating method, and ZnS:Cu nanoparticles were generated within the network of two natural polysaccharides, chitosan and sodium alginate. The synthesized nanoparticles were characterized using an X-ray diffractometer (XRD), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and atomic force microscopy (AFM). The results showed that cubic zinc blende-structured ZnS:Cu nanoparticles with an average crystal size of ~ 3 nm were uniformly distributed. UV-vis spectra indicate a large quantum size effect and the absorption edge for the ZnS:Cu nanoparticles slightly shifted to longer wavelengths with increasing Cu ion concentrations. The photoluminescence of the Cu-doped ZnS nanoparticles reached a maximum at a 1% doping level. The ZnS:Cu nanoparticles form and are distributed uniformly in the composite multilayer films with a surface average height of 25 nm. Copyright © 2013 John Wiley & Sons, Ltd.

Deliberate and Accidental Gas-Phase Alkali Doping of Chalcogenide Semiconductors: Cu(In,Ga)Se2.

Science.gov (United States)

Colombara, Diego; Berner, Ulrich; Ciccioli, Andrea; Malaquias, João C; Bertram, Tobias; Crossay, Alexandre; Schöneich, Michael; Meadows, Helene J; Regesch, David; Delsante, Simona; Gigli, Guido; Valle, Nathalie; Guillot, Jérome; El Adib, Brahime; Grysan, Patrick; Dale, Phillip J

2017-02-24

Alkali metal doping is essential to achieve highly efficient energy conversion in Cu(In,Ga)Se 2 (CIGSe) solar cells. Doping is normally achieved through solid state reactions, but recent observations of gas-phase alkali transport in the kesterite sulfide (Cu 2 ZnSnS 4 ) system (re)open the way to a novel gas-phase doping strategy. However, the current understanding of gas-phase alkali transport is very limited. This work (i) shows that CIGSe device efficiency can be improved from 2% to 8% by gas-phase sodium incorporation alone, (ii) identifies the most likely routes for gas-phase alkali transport based on mass spectrometric studies, (iii) provides thermochemical computations to rationalize the observations and (iv) critically discusses the subject literature with the aim to better understand the chemical basis of the phenomenon. These results suggest that accidental alkali metal doping occurs all the time, that a controlled vapor pressure of alkali metal could be applied during growth to dope the semiconductor, and that it may have to be accounted for during the currently used solid state doping routes. It is concluded that alkali gas-phase transport occurs through a plurality of routes and cannot be attributed to one single source.

High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

Energy Technology Data Exchange (ETDEWEB)

Riechers, Ricarda Eva Friederike Elisabeth

2011-03-22

Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

International Nuclear Information System (INIS)

Riechers, Ricarda Eva Friederike Elisabeth

2011-01-01

Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

Understanding the Adsorption of CuPc and ZnPc on Noble Metal Surfaces by Combining Quantum-Mechanical Modelling and Photoelectron Spectroscopy

Directory of Open Access Journals (Sweden)

Yu Li Huang

2014-03-01

Full Text Available Phthalocyanines are an important class of organic semiconductors and, thus, their interfaces with metals are both of fundamental and practical relevance. In the present contribution we provide a combined theoretical and experimental study, in which we show that state-of-the-art quantum-mechanical simulations are nowadays capable of treating most properties of such interfaces in a quantitatively reliable manner. This is shown for Cu-phthalocyanine (CuPc and Zn-phthalocyanine (ZnPc on Au(111 and Ag(111 surfaces. Using a recently developed approach for efficiently treating van der Waals (vdW interactions at metal/organic interfaces, we calculate adsorption geometries in excellent agreement with experiments. With these geometries available, we are then able to accurately describe the interfacial electronic structure arising from molecular adsorption. We find that bonding is dominated by vdW forces for all studied interfaces. Concomitantly, charge rearrangements on Au(111 are exclusively due to Pauli pushback. On Ag(111, we additionally observe charge transfer from the metal to one of the spin-channels associated with the lowest unoccupied π-states of the molecules. Comparing the interfacial density of states with our ultraviolet photoelectron spectroscopy (UPS experiments, we find that the use of a hybrid functionals is necessary to obtain the correct order of the electronic states.

Understanding the adsorption of CuPc and ZnPc on noble metal surfaces by combining quantum-mechanical modelling and photoelectron spectroscopy.

Science.gov (United States)

Huang, Yu Li; Wruss, Elisabeth; Egger, David A; Kera, Satoshi; Ueno, Nobuo; Saidi, Wissam A; Bucko, Tomas; Wee, Andrew T S; Zojer, Egbert

2014-03-07

Phthalocyanines are an important class of organic semiconductors and, thus, their interfaces with metals are both of fundamental and practical relevance. In the present contribution we provide a combined theoretical and experimental study, in which we show that state-of-the-art quantum-mechanical simulations are nowadays capable of treating most properties of such interfaces in a quantitatively reliable manner. This is shown for Cu-phthalocyanine (CuPc) and Zn-phthalocyanine (ZnPc) on Au(111) and Ag(111) surfaces. Using a recently developed approach for efficiently treating van der Waals (vdW) interactions at metal/organic interfaces, we calculate adsorption geometries in excellent agreement with experiments. With these geometries available, we are then able to accurately describe the interfacial electronic structure arising from molecular adsorption. We find that bonding is dominated by vdW forces for all studied interfaces. Concomitantly, charge rearrangements on Au(111) are exclusively due to Pauli pushback. On Ag(111), we additionally observe charge transfer from the metal to one of the spin-channels associated with the lowest unoccupied π-states of the molecules. Comparing the interfacial density of states with our ultraviolet photoelectron spectroscopy (UPS) experiments, we find that the use of a hybrid functionals is necessary to obtain the correct order of the electronic states.

Supra-molecular networks for CO2 capture

Science.gov (United States)

Sadowski, Jerzy; Kestell, John

Utilizing capabilities of low-energy electron microscopy (LEEM) for non-destructive interrogation of the real-time molecular self-assembly, we have investigated supramolecular systems based on carboxylic acid-metal complexes, such as trimesic and mellitic acid, doped with transition metals. Such 2D networks can act as host systems for transition-metal phthalocyanines (MPc; M = Fe, Ti, Sc). The electrostatic interactions of CO2 molecules with transition metal ions can be tuned by controlling the type of TM ion and the size of the pore in the host network. We further applied infrared reflection-absorption spectroscopy (IRRAS) to determine of the molecular orientation of the functional groups and the whole molecule in the 2D monolayers of carboxylic acid. The kinetics and mechanism of the CO2 adsorption/desorption on the 2D molecular network, with and without the TM ion doping, have been also investigated. This research used resources of the Center for Functional Nanomaterials, which is the U.S. DOE Office of Science User Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704.

Doping effects on the relaxation of frustration and magnetic properties of YMn0.9Cu0.1O3

Science.gov (United States)

Xiao, L. X.; Xia, Z. C.; Wang, X.; Ni, Y.; Yu, W.; Shi, L. R.; Jin, Z.; Xiao, G. L.

2017-12-01

The crystal structure and magnetic properties of hexagonal YMn0.9Cu0.1O3 single crystal are systematically investigated. The refinement results of XRD show the lattice constant decreases, which is unusually due to the doped Cu2+ ion has a larger ionic radius than the Mn3+ ions. The XPS results show that the coexistence of Mn2+, Mn3+ and Mn4+ ions in YMn0.9Cu0.1O3 single crystal. Magnetization measurements show that Cu doped YMn0.9Cu0.1O3 and parent YMnO3 have almost the same antiferromagnetic transition temperature TN, which indicates the AFM interaction is robust in the geometry frustrated system. Because doping directly destroy some of the Mn3+ ions nets, the relaxation of frustration of Mn in-plane 2D triangular geometry network leads to the significantly decrease of Mn3+ ions AFM interaction. In addition, the coexistence and competition between the ferromagnetic and antiferromagnetic interactions among the Mn2+, Mn3+ and Mn4+ ions lead to a complicated and irreversible magnetization behavior in YMn0.9Cu0.1O3 single crystal.

Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

International Nuclear Information System (INIS)

Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

2010-01-01

Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

Preparation and properties of KCl-doped Cu{sub 2}O thin film by electrodeposition

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaojiao, E-mail: yxjw@xaut.edu.cn [Xi’an University of Technology, Xi’an 710048 (China); Li, Xinming [Xi’an University of Technology, Xi’an 710048 (China); Zheng, Gang [Xi’an University of Technology, Xi’an 710048 (China); Northwestern Polytechnical University, Xi’an 710072 (China); Wei, Yuchen [The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong (China); Zhang, Ama; Yao, Binghua [Xi’an University of Technology, Xi’an 710048 (China)

2013-04-01

With the indium tin oxide-coated glass as working electrode, cuprous oxide thin film is fabricated by means of electrodeposition. The effects of KCl doped and annealing treatment upon Cu{sub 2}O thin film morphology, surface resistivity, open-circuit voltage, electric conduction types and visible light response are studied. The research results indicate that KCl doped has a great effect upon Cu{sub 2}O crystal morphology, thus, making Cu{sub 2}O thin film surface resistivity drop, and the open-circuit voltage increase and that electric conduction types are transformed from p type into n type, and the visible light (400–500 nm) absorption rate is slightly reduced. Annealing treatment can obviously decrease Cu{sub 2}O thin film surface resistivity and improve its open-circuit voltage. When KCl concentration in electrolytic solution reaches 7 mmol/L, Cu{sub 2}O thin film morphology can be changed from the dendritic crystal into the cubic crystal and Cu{sub 2}O thin film surface resistivity decreases from the initial 2.5 × 10{sup 6} Ω cm to 8.5 × 10{sup 4} Ω cm. After annealing treatment at 320 °C for 30 min, the surface resistivity decreases to 8.5 × 10{sup 2} Ω cm, and the open-circuit voltage increases from the initial 3.1 mV to 79.2 mV.

Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles

Science.gov (United States)

Petrini, Paula A.; Silva, Ricardo M. L.; de Oliveira, Rafael F.; Merces, Leandro; Bof Bufon, Carlos C.

2018-06-01

Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscopy. The incorporation of molecular materials in devices is not a trivial task as the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (k CuPc) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al2O3 layers, and the CuPc molecular ensembles have been fabricated and evaluated. The Al2O3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (k CuPc = 4.5 ± 0.5). These values suggest a mild contribution of the molecular orientation on the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology.

Unraveling the Origin of Magnetism in Mesoporous Cu-Doped SnO₂ Magnetic Semiconductors.

Science.gov (United States)

Fan, Junpeng; Menéndez, Enric; Guerrero, Miguel; Quintana, Alberto; Weschke, Eugen; Pellicer, Eva; Sort, Jordi

2017-10-25

The origin of magnetism in wide-gap semiconductors doped with non-ferromagnetic 3d transition metals still remains intriguing. In this article, insights in the magnetic properties of ordered mesoporous Cu-doped SnO₂ powders, prepared by hard-templating, have been unraveled. Whereas, both oxygen vacancies and Fe-based impurity phases could be a plausible explanation for the observed room temperature ferromagnetism, the low temperature magnetism is mainly and unambiguously arising from the nanoscale nature of the formed antiferromagnetic CuO, which results in a net magnetization that is reminiscent of ferromagnetic behavior. This is ascribed to uncompensated spins and shape-mediated spin canting effects. The reduced blocking temperature, which resides between 30 and 5 K, and traces of vertical shifts in the hysteresis loops confirm size effects in CuO. The mesoporous nature of the system with a large surface-to-volume ratio likely promotes the occurrence of uncompensated spins, spin canting, and spin frustration, offering new prospects in the use of magnetic semiconductors for energy-efficient spintronics.

Cu-Doped ZnO Thin Films Deposited by a Sol-Gel Process Using Two Copper Precursors: Gas-Sensing Performance in a Propane Atmosphere

Directory of Open Access Journals (Sweden)

Heberto Gómez-Pozos

2016-01-01

Full Text Available A study on the propane gas-sensing properties of Cu-doped ZnO thin films is presented in this work. The films were deposited on glass substrates by sol-gel and dip coating methods, using zinc acetate as a zinc precursor, copper acetate and copper chloride as precursors for doping. For higher sensitivity values, two film thickness values are controlled by the six and eight dippings, whereas for doping, three dippings were used, irrespective of the Cu precursor. The film structure was analyzed by X-ray diffractometry, and the analysis of the surface morphology and film composition was made through scanning electron microscopy (SEM and secondary ion mass spectroscopy (SIMS, respectively. The sensing properties of Cu-doped ZnO thin films were then characterized in a propane atmosphere, C3H8, at different concentration levels and different operation temperatures of 100, 200 and 300 °C. Cu-doped ZnO films doped with copper chloride presented the highest sensitivity of approximately 6 × 104, confirming a strong dependence on the dopant precursor type. The results obtained in this work show that the use of Cu as a dopant in ZnO films processed by sol-gel produces excellent catalysts for sensing C3H8 gas.

Analysis of the electronic structures of 3d transition metals doped CuGaS2 based on DFT calculations

International Nuclear Information System (INIS)

Zhao Zongyan; Zhou Dacheng; Yi Juan

2014-01-01

3d transition metals doped CuGaS 2 are considered as possible absorbing material candidates for intermediated band thin film solar cells. The electronic structure and optical properties of 3d transition metals doped CuGaS 2 are investigated by using density functional theory calculations with the GGA + U method in the present work. The doping with 3d transition metals does not obviously change the crystal structure, band gap, and optical absorption edge of the CuGaS 2 host. However, in the case of CuGa 1−x TM x S 2 (TM = Ti, V, Cr, Fe, and Ni), there is at least one distinct isolated impurity energy level in the band gap, and the optical absorption is enhanced in the ultraviolet-light region. Therefore, these materials are ideal absorber material candidates for intermediated band thin film solar cells. The calculated results are very well consistent with experimental observations, and could better explain them. (semiconductor materials)

The effects of Zn doping on magnetic properties of Cu3Bi(SeO3)2O2Cl

Science.gov (United States)

Yang, Pei-Ying; Tseng, Wu-Jyun; Wu, Hung-Cheng; Kakarla, D. Chandrasekhar; Yang, Hung-Duen; Department of Physics, Natl Sun Yat Sen Univ Team

Recently, layered spin-frustrated Cu3Bi(SeO3)2 O2Cl has received considerable research attention due to its unusual magnetic properties. Two inequivalent Cu2 + ions form a pseudo-kagome lattice that invokes spin frustration and anisotropic magnetic properties. In this study, the influence of Zn doping on the complex magnetic properties has been explored. Polycrystalline (Cu1-xZnx) Bi(SeO3)2 O2Cl (0 x 0.5) samples were synthesized using solid-state reaction and characterized by X-ray diffraction and magnetic measurements. The Zn doping strongly modulates the magnetic ground state of the system. The antiferromagnetic transition temperature TN = 24 K and magnetic field-induced hysteresis observed for x = 0 at low field are systematically shifted to lower temperature and reduced with Zn doping. These results can illustrate the insight of the occurrence of field-induced spin-flip type multiferroics in Cu3Bi(SeO3)2 O2Cl.

Ambipolar carrier transport properties and molecular packing structure of octahexyl-substituted copper phthalocyanine

Science.gov (United States)

Watanabe, Ken; Watanabe, Koichi; Tohnai, Norimitsu; Itani, Hiromichi; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

2018-04-01

The charge carrier mobility of a solution-processable low-molecular-weight organic semiconductor material, i.e., 1,4,8,11,15,18,22,25-octahexylphthalocyanine copper complex (C6PcCu), was investigated by the time-of-flight technique. The anomalous ambipolar carrier mobility was discussed from the viewpoint of the molecular packing structure, which was clarified by single-crystal X-ray structure analysis. In the comparison between the molecular packing structures of C6PcCu and its metal-free-type homologue, it was found that the difference in carrier mobility originates from the rotation of the molecule, which is caused by the steric hindrance due to the introduction of a center metal and the interpenetration of the nonperipheral alkyl chains.

Structural templating in a nonplanar phthalocyanine using single crystal copper iodide

OpenAIRE

Rochford, L. A. (Luke A.); Ramadan, Alexandra J.; Keeble, Dean S.; Ryan, Mary P.; Heutz, Sandrine; Jones, T. S. (Tim S.)

2015-01-01

Solution-grown copper iodide crystals are used as substrates for the templated growth of the nonplanar vanadyl phthalocyanine using organic molecular beam deposition. Structural characterization reveals a single molecular orientation produced by the (111) Miller plane of the copper iodide crystals. These fundamental measurements show the importance of morphology and structure in templating interactions for organic electronics applications.

Tetra-methyl substituted copper (II) phthalocyanine as a hole injection enhancer in organic light-emitting diodes

Energy Technology Data Exchange (ETDEWEB)

Wang, Yu-Long; Xu, Jia-Ju; Lin, Yi-Wei; Chen, Qian; Shan, Hai-Quan; Xu, Zong-Xiang, E-mail: xu.zx@sustc.edu.cn, E-mail: val.roy@cityu.edu.hk [Department of Chemistry, South University of Science and Technology of China, Shenzhen, Guangdong, P. R. China, 518055 (China); Yan, Yan; Roy, V. A. L., E-mail: xu.zx@sustc.edu.cn, E-mail: val.roy@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (Hong Kong)

2015-10-15

We have enhanced hole injection and lifetime in organic light-emitting diodes (OLEDs) by incorporating the isomeric metal phthalocyanine, CuMePc, as a hole injection enhancer. The OLED devices containing CuMePc as a hole injection layer (HIL) exhibited higher luminous efficiency and operational lifetime than those using a CuPc layer and without a HIL. The effect of CuMePc thickness on device performance was investigated. Atomic force microscope (AFM) studies revealed that the thin films were smooth and uniform because the mixture of CuMePc isomers depressed crystallization within the layer. This may have caused the observed enhanced hole injection, indicating that CuMePc is a promising HIL material for highly efficient OLEDs.

Tetra-methyl substituted copper (II phthalocyanine as a hole injection enhancer in organic light-emitting diodes

Directory of Open Access Journals (Sweden)

Yu-Long Wang

2015-10-01

Full Text Available We have enhanced hole injection and lifetime in organic light-emitting diodes (OLEDs by incorporating the isomeric metal phthalocyanine, CuMePc, as a hole injection enhancer. The OLED devices containing CuMePc as a hole injection layer (HIL exhibited higher luminous efficiency and operational lifetime than those using a CuPc layer and without a HIL. The effect of CuMePc thickness on device performance was investigated. Atomic force microscope (AFM studies revealed that the thin films were smooth and uniform because the mixture of CuMePc isomers depressed crystallization within the layer. This may have caused the observed enhanced hole injection, indicating that CuMePc is a promising HIL material for highly efficient OLEDs.

Thermoluminescence dosimetry properties of new Cu doped CaF(2) nanoparticles.

Science.gov (United States)

Zahedifar, M; Sadeghi, E

2013-12-01

Nanoparticles of Cu-doped calcium fluoride were synthesised by using the hydrothermal method. The structure of the prepared nanomaterial was characterised by the X-ray diffraction (XRD) pattern and energy dispersive spectrometer. The particle size of 36 nm was calculated from the XRD data. Its shape and size were also observed by scanning electron microscope. Thermoluminescence (TL) and photoluminescence of the produced phosphor were also considered. The computerised glow curve deconvolution procedure was used to identify the number of glow peaks included in the TL glow curve of the CaF2:Cu nanoparticles. The TL glow curve contains two overlapping glow peaks at ∼413 and 451 K. The TL response of this phosphor was studied for different Cu concentrations and the maximum sensitivity was found at 1 mol% of Cu impurity. Other dosimetric characteristics of the synthesised nanophosphor are also presented and discussed.

Efficient small-molecule organic solar cells incorporating a doped buffer layer

Energy Technology Data Exchange (ETDEWEB)

Chou, Dei-Wei [Department of aviation and Communication Electronics, Air Force Institute of Technology, Kaohsiung 820, Taiwan (China); Chen, Kan-Lin [Department of Electronic Engineering, Fortune Institute of Technology, Kaohsiung 831, Taiwan (China); Huang, Chien-Jung, E-mail: chien@nuk.edu.tw [Department of Applied Physics, National University of Kaohsiung, Nanzih, Kaohsiung 811, Taiwan (China); Tsao, Yao-Jen [Department of Applied Physics, National University of Kaohsiung, Nanzih, Kaohsiung 811, Taiwan (China); Chen, Wen-Ray; Meen, Teen-Hang [Department of Electronic Engineering, National Formosa University, Hu-Wei, Yunlin 632, Taiwan (China)

2013-06-01

Small-molecule organic solar cells (OSCs) with an optimized structure of indium tin oxide/poly (3,4-ethylenedioxythioxythiophene):poly(styrenesulfonate)/copper phthalocyanine (CuPc) (10 nm)/CuPc: fullerene (C{sub 60}) mixed (20 nm)/C{sub 60} (20 nm)/4,7-diphenyl-1,10-phenanthroline (BPhen) (5 nm)/Ag were fabricated. In this study, the cesium carbonate-doped BPhen (Cs{sub 2}CO{sub 3}:BPhen) was adopted as the buffer layer to enhance the efficiency of the OSCs. The photovoltaic parameters of the OSCs, such as the short-circuit current density and fill factor, depend on the doping concentration of Cs{sub 2}CO{sub 3} in the BPhen layer. The cell with a Cs{sub 2}CO{sub 3}:BPhen (1:4) cathode buffer layer exhibits a power conversion efficiency (PCE) of 3.51%, compared to 3.37% for the device with the pristine BPhen layer. The enhancement of PCE was attributed to the energy-level alignment between the C{sub 60} layer and the Cs{sub 2}CO{sub 3}:BPhen layer. In addition, the characterization measured using atomic force microscopy shows that the Cs{sub 2}CO{sub 3}:BPhen layers have smoother surfaces. - Highlight: • Cs2CO3-doped 4,7-diphenyl-1,10-phenanthroline (BPhen) cathode buffer layer. • Cs2CO3:BPhen layer with different ratios affects organic solar cells performance. • Cell with 1:4 (Cs2CO3:BPhen) ratio shows 3.51% power conversion efficiency.

Enhanced photorefractive properties in Hf, Ce and Cu co-doped LiNbO{sub 3} crystals for holographic application

Energy Technology Data Exchange (ETDEWEB)

Zhang, Tao, E-mail: tzhang_hit02@yahoo.com [Key Laboratory of In-fiber Integrated Optics, Ministry of Education of China, Harbin Engineering University, Harbin 150001 (China); College of Science, Harbin Engineering University, Harbin 150001 (China); Postdoctoral Research Station of Mechanical Engineering, College of Mechanical and Electrical Engineering, Harbin Engineering University, Harbin 150001 (China); Wang, Xin; Geng, Tao; Tong, Chengguo [Key Laboratory of In-fiber Integrated Optics, Ministry of Education of China, Harbin Engineering University, Harbin 150001 (China); College of Science, Harbin Engineering University, Harbin 150001 (China); Kang, Chong [Key Laboratory of In-fiber Integrated Optics, Ministry of Education of China, Harbin Engineering University, Harbin 150001 (China); College of Science, Harbin Engineering University, Harbin 150001 (China); Postdoctoral Research Station of Mechanical Engineering, College of Mechanical and Electrical Engineering, Harbin Engineering University, Harbin 150001 (China)

2015-04-25

Graphical abstract: Correlation spots of 200 holograms in a Hf, Ce and Cu co-doped LiNbO{sub 3}. - Highlights: • Several doped LiNbO{sub 3} crystals with various level of Hf doping were grown by Cz method. • IR peak shift is attributed to the complex defect change at different level of Hf. • Enhanced photorefractive properties have been got with higher Hf-doping level. • Reduced defect and increased photoconductivity are responsible for optical properties. • 200 holograms’ experiment is realized in a coherent volume 0.073 cm{sup 3}. - Abstract: Hf, Ce and Cu co-doped LiNbO{sub 3} crystals with various level of Hf doping were grown in air by a conventional Cz method. The infrared spectra were measured to discuss the defect structures and the mechanism of the absorption peak shift in these crystals. The light-induced scattering of the crystals was evaluated by the transmitted light method. The influence of the Hf-doping level on the photorefractive properties of Hf, Ce and Cu co-doped LiNbO{sub 3} crystals was studied via two-beam coupling. It is found that proper doping Hf is an efficient method to enhance the comprehensive photorefractive properties of the LiNbO{sub 3}. Using one of these crystals as medium, 200 holograms storage and correlation experiments based on angle fractal multiplexing have been realized in a coherent volume 0.073 cm{sup 3}. Moreover the diffraction efficiency is uniform and the storage density has reached 2.2 Gb/cm{sup 3}.

Stress reduction of Cu-doped diamond-like carbon films from ab initio calculations

Directory of Open Access Journals (Sweden)

Xiaowei Li

2015-01-01

Full Text Available Structure and properties of Cu-doped diamond-like carbon films (DLC were investigated using ab initio calculations. The effect of Cu concentrations (1.56∼7.81 at.% on atomic bond structure was mainly analyzed to clarify the residual stress reduction mechanism. Results showed that with introducing Cu into DLC films, the residual compressive stress decreased firstly and then increased for each case with the obvious deterioration of mechanical properties, which was in agreement with the experimental results. Structural analysis revealed that the weak Cu-C bond and the relaxation of both the distorted bond angles and bond lengths accounted for the significant reduction of residual compressive stress, while at the higher Cu concentration the increase of residual stress attributed to the existence of distorted Cu-C structures and the increased fraction of distorted C-C bond lengths.

Evaluation of trapping parameters of thermally stimulated luminescence glow curves in Cu-doped Li2B4O7 phosphor

International Nuclear Information System (INIS)

Manam, J.; Sharma, S.K.

2005-01-01

Evaluation of trapping parameters, including order of kinetics, activation energy and frequency factor, is one of the most important aspect of studies in the field of thermally stimulated luminescence (TSL). A polycrystalline sample of Cu-doped Li 2 B 4 O 7 was prepared by the melting method. Formation of the doped compound was checked by use of Fourier-transform infrared (FTIR) spectroscopy. TSL studies of the Cu-doped lithium tetraborate sample shows three glow peaks, the maximum emission occurring, respectively, at a temperature of 175 deg. C, 290 deg. C and 350 deg. C, the intensity of the 175 deg. C-glow peak being the maximum. The trapping parameters associated with this prominent glow peak of Cu-doped lithium tetraborate are reported herein, using the isothermal luminescence decay and glow curve shape (Chen's) methods. Our results show very good agreement between the trapping parameters calculated by the two methods

Synthesis and characterization of Cu-doped hydroxyapatite nanorods for cancer diagnosis

International Nuclear Information System (INIS)

Rezende, Michele Rocha; Cipreste, Marcelo Fernandes; Aragon, Fermin Herrera; Leal, Alexandre Soares; Macedo, Waldemar Augusto de Almeida; Sousa, Edesia Martins Barros de

2016-01-01

Full text: Theranostic nanomaterials have been widely studied around the world for the cancer treatment strategies management due to the unique property that allows nanoparticles to spontaneously and selectively accumulate in tumor sites and make simultaneously diagnosis and treatment of many types of tumors [1]. Beyond the various classes of nanomaterials, hydroxyapatite (HA) nanorods are highlighted as important bioceramics that present biocompatibility, bioactivity and osteoinductivity. Another important feature of hydroxyapatite is that HA nanorods, as nanocrystalline structures, allow replacement of its internal ionic components for metallic elements to impart new properties to the material. A diagnostic nanomaterial can be obtained by the doping HA nanorods with cooper and promoting the neutron activation of HA-Cu in nuclear reactor, producing the HA- 64 Cu nanorods. 64 Cu is a positron emitter radionuclide that allows its usage in PET scan equipment. However, high concentrations of cooper ions are toxic to human organism [2]. Nevertheless, the production of stable HA-Cu nanorods is of great interest making possible to eliminate the cytotoxicity of cooper based radiotracers. The aim of the present work was to synthesize cooper-doped HA nanorods by co-precipitation method, characterize the samples by XRD with Rietveld refinement, SEM, FTIR and EDX. The stability of the chemical interactions between HA and Gd was investigated in aqueous suspensions at different time intervals and the suspensions were analyzed by ICP-AES. The results indicate that Cu can be allocated in HA lattice, forming a stable interaction where no cooper ions can be released from the hydroxyapatite matrix, crediting this material for neutron activation assays and future biological tests. References: [1] E. Lim et al. Chem. Rev. 115:327 (2015); [2] G. Malandrinos et al. Coord. Chem. Rev. 262:55 (2014). (author)

Effects of Mn, Cu doping concentration to the properties of magnetic nanoparticles and arsenic adsorption capacity in wastewater

International Nuclear Information System (INIS)

Thi, Tran Minh; Trang, Nguyen Thi Huyen; Van Anh, Nguyen Thi

2015-01-01

Highlights: • Investigation the decrease of saturate magnetic moment of Fe 3 O 4 over time. • Substitution of Mn, Cu ions into Fe position to create stable properties of materials. • Investigate the surface and mesopore structure of nanoparticles. • The arsenic adsorption capacity of Cu doped Fe 3 O 4 nanomaterials is higher than of Fe 3 O 4 and Mn doped Fe 3 O 4 nanomaterials. - Abstract: The research results of Fe 3 O 4 and Mn, Cu doped Fe 3 O 4 nanomaterials synthesized by a chemical method for As(III) wastewater treatment are presented in this paper. The X-ray diffraction patterns and transmission electron microscopy images showed that samples had the cubic spinel structure with the grain sizes were varied from 9.4 nm to 18.1 nm. The results of vibrating sample magnetometer measurements at room temperature showed that saturation magnetic moments of Fe 1−x Cu x Fe 2 O 4 and Fe 1−x Mn x Fe 2 O 4 samples decreased from 65.9 emu/g to 53.2 emu/g and 65.9 emu/g to 61.5 emu/g, respectively, with the increase of Cu, Mn concentrations from 0.0 to 0.15. The nitrogen adsorption–desorption isotherm of a typical Fe 3 O 4 sample at 77 K was studied in order to investigate the surface and porous structure of nanoparticles by BET method. The specific surface area of Fe 3 O 4 magnetic nanoparticles was calculated about of 100.2 m 2 /g. The pore size distribution of about 15–20 nm calculated by the BJH (Barrett, Joyner, and Halendar) method at a relative pressure P/P 0 of about 1. Although the saturation magnetic moments of samples decreased when the increase of doping concentration, but the arsenic adsorption capacity of Cu doped Fe 3 O 4 nanoparticles is better than that of Fe 3 O 4 and Mn doped Fe 3 O 4 nanoparticles in a solution with pH = 7. In the solution with a pH > 14, the arsenic adsorption of magnetic nanoparticles is insignificant

In situ ellipsometry — A powerful tool for monitoring alkali doping of organic thin films

International Nuclear Information System (INIS)

Haidu, F.; Ludemann, M.; Schäfer, P.; Gordan, O.D.; Zahn, D.R.T.

2014-01-01

The changes of the optical properties of several organic thin films induced by potassium doping were monitored using in situ spectroscopic ellipsometry. The samples were prepared in a high vacuum chamber by organic molecular deposition. Then, potassium (K) was evaporated by passing current through K getters. The three different organic molecules used, show very distinct and different spectral behaviour upon doping. While for Tris-(8-hydroxyquinoline)-aluminium(III) and N,N′-Di-[(1-naphthyl)-N,N′-diphenyl]-(1,1′-biphenyl)-4,4′-diamine only small shifts of the spectral features were noticed, Manganese Phthalocyanine revealed significant changes of the optical properties induced by the K doping. This work indicates that the K doping process can have a dramatic effect on the electronic and the optical properties of the organic molecules, but the effect on the optical spectra remains specific for each organic molecule used, and cannot be easily predicted. - Highlights: • Monitoring organic film growth and doping with in situ spectroscopic ellipsometry • K doped organic thin films • Optical properties of organic thin films change by K doping. • The changes in the optical spectra remain specific for each organic molecule used

Effects of graphene oxide doping on the structural and superconducting properties of YBa2Cu3O7-δ

Science.gov (United States)

Dadras, S.; Falahati, S.; Dehghani, S.

2018-05-01

In this research we reported the effects of graphene oxide (GO) doping on the structural and superconducting properties of YBa2Cu3O7-δ (YBCO) high temperature superconductors. We synthesized YBCO powder by sol-gel method. After calcination, the powder mixed with different weight percent (0, 0.1, 0.3, 0.7, 1 wt.%) of GO. Refinement of X-ray diffraction (XRD) was carried out by material analysis using diffraction (MAUD) program to obtain the structural parameters such as lattice parameters, site occupancy of different atoms and orthorhombicity value for the all samples. Results show that GO doping does not change the structure of YBCO compound, Cu (1), Cu (2) and oxygen sites occupancy. It seems that GO remains between the grains and can play the role of weak links. We found that GO addition to YBCO compound increases transition temperature (TC). The oxygen contents of the all GO-doped samples are increased with respect to the pure one. The strain (ɛ) of the samples obtained from Williamson-Hall method, varies with increasing of GO doping. The scanning electron microscopy (SEM) images of the samples show better YBCO grain connections by GO doping.

Size effect on the SHG properties of Cu-doped CdI2 nanocrystals

International Nuclear Information System (INIS)

Miah, M. Idrish

2009-01-01

Because the optically induced second harmonic generation (SHG) is prevented by symmetry in a centrosymmetric material, one needs to form noncentrosymmetric processes in order to observe the SHG. However, one of the efficient ways to enhance the noncentrosymmetricity of a material is to dope it with an appropriate impurity and amount. We grow Cu-doped CdI 2 layered nanocrystal structures from the mixture of CdI 2 and CuI using the standard Bridgman-Stockbarger method and investigate the nano-confined effects by studying the second-order optical effect via the measurements of SHG. The second-order susceptibility for the nanocrystals is calculated and the values at liquid helium temperature range from 0.38 to 0.83 pm V -1 for the thicknesses of 10-0.8 nm respectively. The size dependence demonstrates the nano-sized quantum-confined effect with a clear increase in the SHG with decreasing the thickness of the nanocrystal or crystal temperature. Since the local electron-phonon anharmonicity is described by third-order rank tensors in disordered systems, the SHG is very similar to that one introduced for the third-order optical susceptibility. It has been confirmed by observing the large photoluminescent yield of the pure crystals. The Raman scattering spectra taken for thin nanocrystals confirm the phonon modes originating from interlayer phonons crucially responsible for the observed effects. The obtained results show that the Cu-doped CdI 2 layered nanocrystals are promising materials for applications in optoelectronic nano-devices.

X-ray photoemission studies of Zn doped Cu1-xTl xBa2Ca2Cu 3-yZn yO10-δ (y = 0, 2.65) superconductors

International Nuclear Information System (INIS)

Khan, Nawazish A.; Mumtaz, M.; Ahadian, M.M.; Iraji-zad, Azam

2007-01-01

The X-ray photoemission (XPS) measurements of Cu 1-x Tl x Ba 2 Ca 2 Cu 3-y Zn y O 10-δ (y = 0, 2.65) superconductors have been performed and compared. These studies revealed that the charge state of thallium in the Cu 0.5 Tl 0.5 Ba 2 O 4-δ charge reservoir layer in Zn doped samples is Tl 1+ , while it is a mix of Tl 1+ and Tl 2+ in Zn free samples. The binding energy of Ba atoms in the Zn doped samples is shifted to higher energy, which when considered along with the presence of Tl 1+ suggested that it more efficiently directed the carriers to ZnO 2 and CuO 2 planes. The evidence of improved inter-plane coupling witnessed in X-ray diffraction is also confirmed by XPS measurements of Ca atoms in the Zn doped samples. The shift of the valance band spectrum in these Zn doped samples to higher energies suggested that the electrons at the top edge of the valance band were tied to a higher binding energy (relative to samples without Zn doping), which most likely resulted in a much lower energy state of the system in the superconducting state. The stronger superconducting state arising out of these effects is witnessed in the form of increased T c (R 0), J c and the extent of diamagnetism in the final compound

Electrolyte influence on the Cu nanoparticles electrodeposition onto boron doped diamond electrode

International Nuclear Information System (INIS)

Matsushima, Jorge Tadao; Santos, Laura Camila Diniz; Couto, Andrea Boldarini; Baldan, Mauricio Ribeiro; Ferreira, Neidenei Gomes

2012-01-01

This paper presents the electrolyte influence on deposition and dissolution processes of Cu nanoparticles on boron doped diamond electrodes (DDB). Morphological, structural and electrochemical analysis showed BDD films with good reproducibility, quality and reversible in a specific redox system. Electrodeposition of Cu nanoparticles on DDB electrodes in three different solutions was influenced by pH and ionic strength of the electrolytic medium. Analyzing the process as function of the scan rate, it was verified a better efficiency in 0,5 mol L -1 Na 2 SO 4 solution. Under the influence of the pH and ionic strength, Cu nanoparticles on DDB may be obtained with different morphologies and it was important for defining the desired properties. (author)

Improved flux-pinning properties of REBa{sub 2}Cu{sub 3}O{sub 7-z} films by low-level Co doping

Energy Technology Data Exchange (ETDEWEB)

Wang, Wentao; Pu, Minghua; Wang, Weiwei; Lei, Ming [Key Laboratory of Magnetic Levitation and Maglev Trains, Ministry of Education of China, Superconductivity R and D Centre (SRDC), Southwest Jiaotong University, Erhuanlu Beiyiduan 111, 610031 Chengdu (China); Cheng, Cuihua [Superconductivity Research Group, School of Materials Science and Engineering, University of New South Wales, 2052 NSW, Sydney (Australia); Zhao, Yong [Key Laboratory of Magnetic Levitation and Maglev Trains, Ministry of Education of China, Superconductivity R and D Centre (SRDC), Southwest Jiaotong University, Erhuanlu Beiyiduan 111, 610031 Chengdu (China); Superconductivity Research Group, School of Materials Science and Engineering, University of New South Wales, 2052 NSW, Sydney (Australia)

2011-09-15

Biaxially textured REBa{sub 2}Cu{sub 3-x}Co{sub x}O{sub 7-z} (RE = Gd,Y) films were prepared on (00l) LaAlO{sub 3} substrate using self-developed fluorine-free chemical solution deposition (CSD) approach. The in-field J{sub c} values are significantly improved for REBa{sub 2}Cu{sub 3-x}Co{sub x}O{sub 7-z} films through low-level Co doping. Co-doped GdBa{sub 2}Cu{sub 3}O{sub 7-z} film shows the highest J{sub c} values at higher temperatures and fields, whereas the J{sub c} values of Co-doped YBa{sub 2}Cu{sub 3}O{sub 7-z} film surpass that of other films at lower temperatures and fields. In addition, the volume pinning force densities of films with Co doping have been distinctly enhanced in the applied fields, indicating improved flux-pinning properties. The possible reasons are discussed in detail. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

Growth and properties of oxygen- and ion-doped Bi2Sr2CaCu2O8+δ single crystals

Science.gov (United States)

Mitzi, D. B.; Lombardo, L. W.; Kapitulnik, A.; Laderman, S. S.; Jacowitz, R. D.

1990-04-01

A directional solidification method for growing large single crystals in the Bi2Sr2CaCu2O8+δ system is reported. Ion doping, with replacement of La for Sr and Y for Ca, as well as oxygen doping in these crystals has been explored. Doped and undoped crystals have been characterized using microprobe analysis, x-ray diffraction, thermogravimetric analysis, and magnetic and Hall measurements. Ion doping results in little change of the superconducting transition for substitution levels below 20-25%, while beyond this level the Meissner signal broadens and the low-temperature Meissner signal decreases. Microprobe analysis and x-ray diffraction performed on these more highly substituted single crystals provide evidence for inhomogeneity and phase segregation into regions of distinct composition. Annealing unsubstituted crystals in increasing partial pressures of oxygen reversibly depresses the superconducting transition temperature from 90 (as made) to 77 K (oxygen pressure annealed), while the carrier concentrations, as determined from Hall effect measurements, increase from n=3.1(3)×1021 cm-3 (0.34 holes per Cu site) to 4.6(3)×1021 cm-3 (0.50 holes per Cu site). No degradation of the Meissner transition or other indications of inhomogeneity or phase segregation with doping are noted, suggesting that oxygen-doped Bi2Sr2CaCu2O8+δ is a suitable system for pursuing doping studies. The decrease in Tc with concentration for 0.34<=n<=0.50 indicates that a high-carrier-concentration regime exists in which Tc decreases with n and suggests that this decrease does not arise from material inhomogeneity or other materials problems. An examination of the variation of Tc with the density of states and lattice constants for all of the doped and undoped superconducting samples considered here indicates that changes in Tc with doping are primarily affected by changes in the density of states (or carrier concentration) rather than by structural variation induced by the doping.

UV and electron radiation-induced luminescence of Cu- and Eu-doped lithium tetraborates

Energy Technology Data Exchange (ETDEWEB)

Ignatovych, M.; Holovey, V.; Watterich, A.; Vidoczy, T.; Baranyai, P.; Kelemen, A.; Ogenko, V.; Chuiko, O

2003-06-01

Cu- and Eu-doped Li{sub 2}B{sub 4}O{sub 7} has been characterized using steady-state and time-resolved photoluminescence, radioluminescence and optical absorption techniques. The effect of dopant content (7.0x10{sup -4}-5.0x10{sup -2} wt% for Cu and 1.6x10{sup -3}-8.0x10{sup -3} wt% for Eu) and of host modification (single crystal, polycrystalline and glassy) has been investigated.

Effect of oxide insertion layer on resistance switching properties of copper phthalocyanine

Science.gov (United States)

Joshi, Nikhil G.; Pandya, Nirav C.; Joshi, U. S.

2013-02-01

Organic memory device showing resistance switching properties is a next-generation of the electrical memory unit. We have investigated the bistable resistance switching in current-voltage (I-V) characteristics of organic diode based on copper phthalocyanine (CuPc) film sandwiched between aluminum (Al) electrodes. Pronounced hysteresis in the I-V curves revealed a resistance switching with on-off ratio of the order of 85%. In order to control the charge injection in the CuPc, nanoscale indium oxide buffer layer was inserted to form Al/CuPc/In2O3/Al device. Analysis of I-V measurements revealed space charge limited switching conduction at the Al/CuPc interface. The traps in the organic layer and charge blocking by oxide insertion layer have been used to explain the absence of resistance switching in the oxide buffer layered memory device cell. Present study offer potential applications for CuPc organic semiconductor in low power non volatile resistive switching memory and logic circuits.

Adsorption of gas molecules on a manganese phthalocyanine molecular device and its possibility as a gas sensor.

Science.gov (United States)

Zou, Dongqing; Zhao, Wenkai; Cui, Bin; Li, Dongmei; Liu, Desheng

2018-01-17

A theoretical investigation of the gas detection performance of manganese(ii) phthalocyanine (MnPc) molecular junctions for six different gases (NO, CO, O 2 , CO 2 , NO 2 , and NH 3 ) is executed through a non-equilibrium Green's function technique in combination with spin density functional theory. Herein, we systematically studied the adsorption structural configurations, the adsorption energy, the charge transfer, and the spin transport properties of the MnPc molecular junctions with these gas adsorbates. Remarkably, NO adsorption can achieve an off-state of the Mn spin; this may be an effective measure to switch the molecular spin. In addition, our results indicate that by measuring spin filter efficiency and the changes in total current through the molecular junctions, the CO, NO, O 2 , and NO 2 gas molecules can be detected selectively. However, the CO 2 and NH 3 gas adsorptions are difficult to be detected due to weak van der Waals interaction between these two gases and central Mn atom. Our findings provide important clues to the application of nanosensors for highly sensitive and selective based on MnPc molecular junction systems.

Influence of iodine on the electrical and photoelectrical properties of zinc phthalocyanine thin film devices

Energy Technology Data Exchange (ETDEWEB)

Sharma, G.D. [Jodhpur Univ. (India). Dept. of Physics; Sangodkar, S.G. [Jodhpur Univ. (India). Dept. of Physics; Roy, M.S. [Camouflage Division, Defence Laboratory, Jodhpur (Raj.) (India)

1996-11-01

The electrical and photovoltaic properties of the zinc phthalocyanine (ZnPc) and I{sub 2} doped ZnPc thin films, sandwiched between indium tin oxide (ITO) and Al electrodes, were investigated. Doping with iodine brings adequate changes in the characteristics of the device. The devices constitute a metal-insulator-semiconductor (MIS) structure, in which depletion layer is formed in ZnPc, near Al-Al{sub 2}O{sub 3}/ZnPc. The depletion layer width and potential barrier height decrease with I{sub 2} doping. The charge transport phenomenon at higher voltage range appears to be space charge limited conduction (SCLC), in the presence of the discrete trapping level. The position of Fermi level shifts toward the valence band edge, which indicates that I{sub 2} doping increases the P-type conductivity. Various electrical and photovoltaic parameters were determined from the J-V and C-V analysis. The influence of the I{sub 2} doping has been discussed in detail. (orig.)

Zinc phthalocyanine thin film and chemical analyte interaction studies by density functional theory and vibrational techniques

International Nuclear Information System (INIS)

Saini, G S S; Singh, Sukhwinder; Kumar, Ranjan; Tripathi, S K; Kaur, Sarvpreet; Sathe, Vasant

2009-01-01

Thin films of zinc phthalocyanine have been deposited on KBr and glass substrates by the thermal evaporation method and characterized by the x-ray diffraction, optical, infrared and Raman techniques. The observed x-ray diffraction and infrared absorption spectra of as-deposited thin films suggest the presence of an α crystalline phase. Infrared and Raman spectra of thin films after exposure to vapours of ammonia and methanol have also been recorded. Shifts in the position of some IR and Raman bands in the spectra of exposed films have been observed. Some bands also show changes in their intensity on exposure. Increased charge on the phthalocyanine ring and out-of-plane distortion of the core due to interaction between zinc phthalocyanine and vapour molecules involving the fifth coordination site of the central metal ion may be responsible for the band shifts. Changes in the intensity of bands are interpreted in terms of the lowering of molecular symmetry from D 4h to C 4v due to doming of the core. Molecular parameters and Mulliken atomic charges of zinc phthalocyanine and its complexes with methanol and ammonia have been calculated from density functional theory. The binding energy of the complexes have also been calculated. Calculated values of the energy for different complexes suggest that axially coordinated vapour molecules form the most stable complex. Calculated Mulliken atomic charges show net charge transfer from vapour molecules to the phthalocyanine ring for the most stable complex.

Influence of Cu doping in borosilicate bioactive glass and the properties of its derived scaffolds.

Science.gov (United States)

Wang, Hui; Zhao, Shichang; Xiao, Wei; Xue, Jingzhe; Shen, Youqu; Zhou, Jie; Huang, Wenhai; Rahaman, Mohamed N; Zhang, Changqing; Wang, Deping

2016-01-01

Copper doped borosilicate glasses (BG-Cu) were studied by means of FT-IR, Raman, UV-vis and NMR spectroscopies to investigate the changes that appeared in the structure of borosilicate glass matrix by doping copper ions. Micro-fil and immunohistochemistry analysis were applied to study the angiogenesis of its derived scaffolds in vivo. Results indicated that the Cu ions significantly increased the B-O bond of BO4 groups at 980 cm(-1), while they decrease that of BO2O(-) groups at 1440-1470 cm(-1) as shown by Raman spectra. A negative shift was observed from (11)B and (29)Si NMR spectra. The (11)B NMR spectra exhibited a clear transformation from BO3 into BO4 groups, caused by the agglutination effect of the Cu ions and the charge balance of the agglomerate in the glass network, leading to a more stable glass network and lower ions release rate in the degradation process. Furthermore, the BG-Cu scaffolds significantly enhanced blood vessel formation in rat calvarial defects at 8 weeks post-implantation. Generally, it suggested that the introduction of Cu into borosilicate glass endowed glass and its derived scaffolds with good properties, and the cooperation of Cu with bioactive glass may pave a new way for tissue engineering. Copyright © 2015 Elsevier B.V. All rights reserved.

Photorefractive IR-spectrum composites prepared from polyimide and ruthenium(II) tetra-15-crown-5-phthalocyaninate with axially coordinated triethylenediamine molecules

International Nuclear Information System (INIS)

Vannikov, A.V.; Grishina, A.D.; Gorbunova, Yu.G.; Enakieva, Yu.Yu.; Krivenko, T.V.; Savel'ev, V.V.; Tsivadze, A.Yu.

2006-01-01

Photoelectric, non-linear optical, and photorefractive properties of aromatic polyimine doped with ruthenium(II) complex with tetra-15-crown-5-phthalocyanine and axially coordinated triethylenediamine molecules, (R 4 Pc)Ru(TED) 2 , where R 4 Pc 2- and TED denote 4,5,4',5',4'',5'',4''',5'''-tetrakis-(1,4,7,10,13- pentaoxatridecamethylene)phthalocyaninate ion and triethylenediamine molecule, respectively, were studied. It is established that supramolecular ensembles on the basis of the complex make an aromatic polyimide layer photoelectrically sensitive to 1064-nm Nd : YAG laser radiation, exhibit third-order susceptibility, and, consequently, impart photorefractive properties to the polymer layer at this wavelength [ru

Adsorption of phthalocyanines on noble metal surfaces; Adsorption von Phthalocyaninen auf Edelmetalloberflaechen

Energy Technology Data Exchange (ETDEWEB)

Kroeger, Ingo

2011-05-20

In this thesis the adsorbate systems CuPc/Ag(111), CuPc/Au(111), CuPc/Cu(111), H2Pc and TiOPc/Ag(111) were investigated and characterized in great detail using complementary methods. The focus of the experiments was the determination of lateral geometric structures with spot-profile-analysis low energy electron diffraction (SPA-LEED) and scanning tunneling microscopy (STM), as well as the measurement of adsorption heights using the method of normal incidence X-ray standing waves (NIXSW). High resolution electron energy loss spectroscopy (HREELS) was used to characterize the vibronic properties of the molecule and the interface dynamical charge transfer (IDCT). The electronic structure and the charge transfer into the molecule were investigated with ultraviolet photoelectron spectroscopy (UPS). The most important results of this work are related with the interplay between adsorbate-substrate and adsorbate-adsorbate interaction of Phthalocyanines in the submonolayer regime. (orig.)

Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles.

Science.gov (United States)

Petrini, Paula Andreia; Lopes da Silva, Ricardo Magno; de Oliveira, Rafael Furlan; Merces, Leandro; Bufon, Carlos César Bof

2018-04-06

Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscope (STM). The incorporation of molecular materials in devices is not a trivial task since the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (kCuPc) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al2O3 layers, and the CuPc molecular ensemble have been fabricated and evaluated. The Al2O3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (< 30 nm). From the electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (kCuPc = 4.5 ± 0.5). These values suggest a mild contribution of molecular orientation in the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology. © 2018 IOP Publishing Ltd.

Influence of gamma-ray irradiation on Faraday effect of Cu-doped germano-silicate optical fiber

Energy Technology Data Exchange (ETDEWEB)

Kim, Youngwoong; Ju, Seongmin; Jeong, Seongmook; Jang, Myoung-Jin [Department of Physics and Photon Science, School of Information and Communications, Gwangju Institute of Science and Technology, 261 Cheomdan-gwagiro, Buk-Gu, Gwangju 500-712 (Korea, Republic of); Kim, Jong-Yeol; Lee, Nam-Ho; Jung, Hyun-Kyu [Nuclear Convergence Technology Development Department, Korea Atomic Energy Research Institute, 989-111 Daedeok-daero, Yuseong-gu, Daejeon (Korea, Republic of); Han, Won-Taek, E-mail: wthan@gist.ac.kr [Department of Physics and Photon Science, School of Information and Communications, Gwangju Institute of Science and Technology, 261 Cheomdan-gwagiro, Buk-Gu, Gwangju 500-712 (Korea, Republic of)

2015-02-01

Influence of gamma-ray irradiation on the Faraday effect of the Cu-doped germano-silicate optical fiber was investigated. The Verdet constant of the gamma-ray irradiated optical fiber at 660 nm was measured to be 3.07 rad T{sup −1} m{sup −1}, 1.46 times larger than that of before the irradiation at total dose of 1200 Gy. Cu-related radiation-induced defect centers and Cu metal particles which were reduced from Cu{sup 2+} ions by the irradiation are thought to be responsible for the increase in the Verdet constant of the optical fiber.

Inducing self-assembly of Y2BaCuO5 nanoparticles via Ca-doping for improved pinning in YBa2Cu3O7-x

International Nuclear Information System (INIS)

Barnes, P.N.; Haugan, T.J.; Baca, F.J.; Varanasi, C.V.; Wheeler, R.; Meisenkothen, F.; Sathiraju, S.

2009-01-01

Different mechanisms may exists as a means to provide additional or specialized enhancement of existing nanoparticulate pinning in YBa 2 Cu 3 O 7-x (YBCO) thin films. In the particular case of Y 2 BaCuO 5 (Y211) nanoparticles, Ca-doping of these nanoparticles via addition to the Y211 target material provides an additional increase to the J c (H). YBCO + Y211 samples were created by pulsed laser deposition with alternating targets of YBCO with Y211 and Y211 doped with Ca. Initial indications suggest that this improvement in pinning results from some scattered short-ranged self-assembly of the nanoparticles into short nanocolumns.

CuO nanostructures grown by the SILAR method: Influence of Pb-doping on the morphological, structural and optical properties

Energy Technology Data Exchange (ETDEWEB)

Bayansal, F., E-mail: fbayansal@gmail.com [Department of Metallurgical and Materials Engineering, Faculty of Technology, Mustafa Kemal University, Hatay (Turkey); Department of Physics, Faculty of Arts and Sciences, Mustafa Kemal University, Hatay (Turkey); Gülen, Y. [Department of Physics, Faculty of Arts and Sciences, Marmara University, İstanbul (Turkey); Şahin, B. [Department of Physics, Faculty of Arts and Sciences, Mustafa Kemal University, Hatay (Turkey); Kahraman, S. [Department of Metallurgical and Materials Engineering, Faculty of Technology, Mustafa Kemal University, Hatay (Turkey); Department of Physics, Faculty of Arts and Sciences, Mustafa Kemal University, Hatay (Turkey); Çetinkara, H.A. [Department of Physics, Faculty of Arts and Sciences, Mustafa Kemal University, Hatay (Turkey)

2015-01-15

Highlights: • CuO nanostructures with Pb-doping by the SILAR method is reported for the first time. • CuO nanostructures of different morphologies were grown by different Pb ratios. • E{sub g} values of the films can be altered by changing Pb doping concentrations. - Abstract: CuO nanostructures with and without Pb were synthesized by the Successive Ionic Layer Adsorption and Reaction method. The films were characterized by scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction and ultraviolet–visible spectrophotometry. Scanning electron microscopy results showed that the morphology of the film surface was changed from plate-like to coral-like nanostructures with increasing Pb concentration. The X-ray diffraction patterns showed the monoclinic crystal structure with preferential planes of (1{sup ¯}11) and (1 1 1). Furthermore, ultraviolet–visible spectra showed that the band gap of the films was tailored by Pb doping.

CuO nanostructures grown by the SILAR method: Influence of Pb-doping on the morphological, structural and optical properties

International Nuclear Information System (INIS)

Bayansal, F.; Gülen, Y.; Şahin, B.; Kahraman, S.; Çetinkara, H.A.

2015-01-01

Highlights: • CuO nanostructures with Pb-doping by the SILAR method is reported for the first time. • CuO nanostructures of different morphologies were grown by different Pb ratios. • E g values of the films can be altered by changing Pb doping concentrations. - Abstract: CuO nanostructures with and without Pb were synthesized by the Successive Ionic Layer Adsorption and Reaction method. The films were characterized by scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction and ultraviolet–visible spectrophotometry. Scanning electron microscopy results showed that the morphology of the film surface was changed from plate-like to coral-like nanostructures with increasing Pb concentration. The X-ray diffraction patterns showed the monoclinic crystal structure with preferential planes of (1 ¯ 11) and (1 1 1). Furthermore, ultraviolet–visible spectra showed that the band gap of the films was tailored by Pb doping

Synthesis and application of trifluoroethoxy-substituted phthalocyanines and subphthalocyanines

Directory of Open Access Journals (Sweden)

Satoru Mori

2017-10-01

Full Text Available Phthalocyanines and subphthalocyanines are attracting attention as functional dyes that are applicable to organic solar cells, photodynamic therapy, organic electronic devices, and other applications. However, phthalocyanines are generally difficult to handle due to their strong ability to aggregate, so this property must be controlled for further applications of phthalocyanines. On the other hand, trifluoroethoxy-substituted phthalocyanines are known to suppress aggregation due to repulsion of the trifluoroethoxy group. Furthermore, the electronic characteristics of phthalocyanines are significantly changed by the strong electronegativity of fluorine. Therefore, it is expected that trifluoroethoxy-substituted phthalocyanines can be applied to new industrial fields. This review summarizes the synthesis and application of trifluoroethoxy-substituted phthalocyanine and subphthalocyanine derivatives.

Fluorination of Metal Phthalocyanines: Single-Crystal Growth, Efficient N-Channel Organic Field-Effect Transistors, and Structure-Property Relationships

Science.gov (United States)

Jiang, Hui; Ye, Jun; Hu, Peng; Wei, Fengxia; Du, Kezhao; Wang, Ning; Ba, Te; Feng, Shuanglong; Kloc, Christian

2014-01-01

The fluorination of p-type metal phthalocyanines produces n-type semiconductors, allowing the design of organic electronic circuits that contain inexpensive heterojunctions made from chemically and thermally stable p- and n-type organic semiconductors. For the evaluation of close to intrinsic transport properties, high-quality centimeter-sized single crystals of F16CuPc, F16CoPc and F16ZnPc have been grown. New crystal structures of F16CuPc, F16CoPc and F16ZnPc have been determined. Organic single-crystal field-effect transistors have been fabricated to study the effects of the central metal atom on their charge transport properties. The F16ZnPc has the highest electron mobility (~1.1 cm2 V−1 s−1). Theoretical calculations indicate that the crystal structure and electronic structure of the central metal atom determine the transport properties of fluorinated metal phthalocyanines. PMID:25524460

Synthesis and electrochemical and in situ spectroelectrochemical characterization of manganese, vanadyl, and cobalt phthalocyanines with 2-naphthoxy substituents

International Nuclear Information System (INIS)

Ozcesmeci, Ibrahim; Koca, Atif; Guel, Ahmet

2011-01-01

Highlights: → Metallo (Mn, Co, VO) phthalocyanines bearing peripheral 2-naphthoxy-groups were synthesized by cyclotetramerisation of the corresponding phthalonitrile derivative. → Incorporation of the redox active metal ions into the phthalocyanine core extends the redox capabilities of the Pc ring. → The presence of O 2 in the electrolyte system influences both oxygen reduction reaction and the electrochemical and spectral behaviors of the complexes. → Homogeneous catalytic ORR process occurs via an 'inner sphere' chemical catalysis process. - Abstract: Metallo (Mn, Co, VO) phthalocyanines bearing peripheral 2-naphthoxy groups were synthesized by cyclotetramerisation of the corresponding phthalonitrile derivative. The phthalocyanine compounds were characterized by elemental analyses, mass, FT-IR and UV-vis spectral data. Three intense bands in the electronic spectra clearly indicate the absorptions resulting from naphthyl groups along with the Q and B bands of the phthalocyanines. Electrochemical and spectroelectrochemical measurements exhibit that incorporation of redox active metal ions, Co II and Mn III , into the phthalocyanine core extends the redox capabilities of the Pc ring including the metal-based reduction and oxidation couples of the metal. Presence of molecular oxygen in the electrolyte system affects the voltammetric and spectroelectrochemical responses of the cobalt and manganese phthalocyanines due to the interaction between the complexes and molecular oxygen. Interaction reaction of oxygen with CoPc occurs via an 'inner sphere' chemical catalysis process. While CoPc gives the intermediates [O 2 - -Co II Pc -2 ] - and [O 2 2 -Co II Pc -2 ] 2- , MnPc forms μ-oxo MnPc species. An in situ electrocolorimetric method has been applied to investigate the color of the electro-generated anionic and cationic forms of the complexes for possible electrochromatic applications.

Large magnetoresistance in intercalated Cu oxides

OpenAIRE

Grigoryan, L.; Furusawa, M.; Hori, H.; Tokumoto, M.

1997-01-01

Magnetism and electrical resistance as a function of magnetic field, temperature, and chemical composition are studied in Cu oxides intercalated with metal phthalocyanines MPc, where M is Fe or Ni, and Pc is C_H_N_. An unusually large positive magnetoresistance (MR) of ～ 1200% is observed in FePc-intercalated Bi_Sr_Ca_Cu_O_ samples with two Cu-O layers in the unit cell (n=2). The magnitude of the MR decreased to 40% and ～ 0% in the FePc-intercalated n=3 and n=4 samples, respectively, and to ～...

Valence determination as a function of doping in $PrBa_{2} Cu_{3} O_{7}$

CERN Document Server

Staub, U; Wasserman, S R; Conner, A G O; Kramer, M J; Patterson, B D; Shi, M; Knapp, M P

2000-01-01

We present results of X-ray absorption near edge spectra (XANES), neutron powder diffraction, and resonant X-ray diffraction on samples of PrBa/sub 2/Cu/sub 3/O/sub 7- delta / and Pr/sub 1-x/Ca/sub x/Ba /sub 2/Cu/sub 3/O/sub 7/. The data are obtained as a function of the doping levels of oxygen and Ca. There are significant changes in the Pr L/sub 3/ XANES spectra with changes in oxygen or Ca concentrations, indicating that the Pr electronic properties are affected by doping. The resonant X-ray scattering experiments show that the changes observed occur on Pr ions incorporated in the PrBa /sub 2/Cu/sub 3/O/sub 7- delta / structure, and are not the result of changes to a Pr-containing impurity phase. A quantitative model, based on literature precedent, is used to extract Pr valences from the data, although the XANES cannot distinguish between models involving charge transfer and those involving hybridization. The results are compared with data obtained from Pb/sub 2/Sr/sub 2/Pr/sub 1-x/Ca/sub x/Cu/sub 3/O/sub ...

Thermoluminescence study of Cu and Ag doped lithium tetraborate samples synthesized by water/solution assisted method

Energy Technology Data Exchange (ETDEWEB)

Thiyagarajan, S.; Kumar, S.; Vallejo, M.; Sosa, M. [Universidad de Guanajuato, Departamento de Ingenieria Fisica, 37150 Leon, Guanajuato (Mexico); Velusamy, J., E-mail: thiya93@gmail.com [Centro de Investigaciones en Optica, Apdo. Postal 1-948, Leon, Guanajuato (Mexico)

2016-10-15

In this paper lithium tetraborate (Li{sub 2}B{sub 4}O{sub 7}) was produced by water/solution assisted synthesis method. Transition metals, such as Cu and Ag were used to dope Li{sub 2}B{sub 4}O{sub 7} in order to enhance its thermoluminescent properties. The heating temperature parameters for synthesis were 750 degrees Celsius for 2 hours and 150 degrees Celsius for another 2 hours. The samples produced by water assisted method were doped at different doping percentage (0.08, 0.12, 0.5, 0.1 and 1%) of Cu and Ag. Pellets of samples were prepared and there were irradiated with different doses (58, 100, 500 and 945 mGy) by using and X-ray source. The characteristics of undoped and doped Li{sub 2}B-4O{sub 7} were determined by X-ray diffraction (XRD), scanning electron microscopy (Sem), photoluminescence and ultraviolet-visible spectroscopy. The chemical composition and their morphologies of the obtained Li{sub 2}B{sub 4}O{sub 7} and Li{sub 2}B{sub 4}O{sub 7}:Cu, Ag was confirmed by XRD and Sem results. The most intense peak of the XRD pattern of the lithium tetraborate sample was determined by comparing to the reference data and was found to have a tetragonal structure. The thermoluminescent glow curves of the pellets exposed to different doses exhibited a clear response to X-ray irradiation. Especially Li{sub 2}B{sub 4}O{sub 7}:Cu presented a good glow curve in all kind of doses. The experimental results showed that this could have good potential applications in radiation dosimetry. The order of kinetics (b), frequency factor (s) and activation energy (E) or the trapping parameters were calculated using peak shape method. (Author)

Self-doping processes between planes and chains in the metal-to-superconductor transition of YBa2Cu3O6.9.

Science.gov (United States)

Magnuson, M; Schmitt, T; Strocov, V N; Schlappa, J; Kalabukhov, A S; Duda, L-C

2014-11-12

The interplay between the quasi 1-dimensional CuO-chains and the 2-dimensional CuO2 planes of YBa(2)Cu(3)O(6+x) (YBCO) has been in focus for a long time. Although the CuO-chains are known to be important as charge reservoirs that enable superconductivity for a range of oxygen doping levels in YBCO, the understanding of the dynamics of its temperature-driven metal-superconductor transition (MST) remains a challenge. We present a combined study using x-ray absorption spectroscopy and resonant inelastic x-ray scattering (RIXS) revealing how a reconstruction of the apical O(4)-derived interplanar orbitals during the MST of optimally doped YBCO leads to substantial hole-transfer from the chains into the planes, i.e. self-doping. Our ionic model calculations show that localized divalent charge-transfer configurations are expected to be abundant in the chains of YBCO. While these indeed appear in the RIXS spectra from YBCO in the normal, metallic, state, they are largely suppressed in the superconducting state and, instead, signatures of Cu trivalent charge-transfer configurations in the planes become enhanced. In the quest for understanding the fundamental mechanism for high-Tc-superconductivity (HTSC) in perovskite cuprate materials, the observation of such an interplanar self-doping process in YBCO opens a unique novel channel for studying the dynamics of HTSC.

Borazino-Doped Polyphenylenes.

Science.gov (United States)

Marinelli, Davide; Fasano, Francesco; Najjari, Btissam; Demitri, Nicola; Bonifazi, Davide

2017-04-19

The divergent synthesis of two series of borazino-doped polyphenylenes, in which one or more aryl units are replaced by borazine rings, is reported for the first time, taking advantage of the decarbonylative [4 + 2] Diels-Alder cycloaddition reaction between ethynyl and tetraphenylcyclopentadienone derivatives. Because of the possibility of functionalizing the borazine core with different groups on the aryl substituents at the N and B atoms of the borazino core, we have prepared borazino-doped polyphenylenes featuring different doping dosages and orientations. To achieve this, two molecular modules were prepared: a core and a branching unit. Depending on the chemical natures of the central aromatic module and the reactive group, each covalent combination of the modules yields one exclusive doping pattern. By means of this approach, three- and hexa-branched hybrid polyphenylenes featuring controlled orientations and dosages of the doping B 3 N 3 rings have been prepared. Detailed photophysical investigations showed that as the doping dosage is increased, the strong luminescent signal is progressively reduced. This suggests that the presence of the B 3 N 3 rings engages additional deactivation pathways, possibly involving excited states with an increasing charge-separated character that are restricted in the full-carbon analogues. Notably, a strong effect of the orientational doping on the fluorescence quantum yield was observed for those hybrid polyphenylene structures featuring low doping dosages. Finally, we showed that Cu-catalyzed 1,3-dipolar cycloaddition is also chemically compatible with the BN core, further endorsing the inorganic benzene as a versatile aromatic scaffold for engineering of molecular materials with tailored and exploitable optoelectronic properties.

Low-temperature CO oxidation over Cu/Pt co-doped ZrO2 nanoparticles synthesized by solution combustion.

Science.gov (United States)

Singhania, Amit; Gupta, Shipra Mital

2017-01-01

Zirconia (ZrO 2 ) nanoparticles co-doped with Cu and Pt were applied as catalysts for carbon monoxide (CO) oxidation. These materials were prepared through solution combustion in order to obtain highly active and stable catalytic nanomaterials. This method allows Pt 2+ and Cu 2+ ions to dissolve into the ZrO 2 lattice and thus creates oxygen vacancies due to lattice distortion and charge imbalance. High-resolution transmission electron microscopy (HRTEM) results showed Cu/Pt co-doped ZrO 2 nanoparticles with a size of ca. 10 nm. X-ray diffraction (XRD) and Raman spectra confirmed cubic structure and larger oxygen vacancies. The nanoparticles showed excellent activity for CO oxidation. The temperature T 50 (the temperature at which 50% of CO are converted) was lowered by 175 °C in comparison to bare ZrO 2 . Further, they exhibited very high stability for CO reaction (time-on-stream ≈ 70 h). This is due to combined effect of smaller particle size, large oxygen vacancies, high specific surface area and better thermal stability of the Cu/Pt co-doped ZrO 2 nanoparticles. The apparent activation energy for CO oxidation is found to be 45.6 kJ·mol -1 . The CO conversion decreases with increase in gas hourly space velocity (GHSV) and initial CO concentration.

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

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

Synthesis, characterization and anti-microbial activity of pure, Cu2+ and Cd2+ doped organic NLO l-arginine trifluoroacetate single crystals

Science.gov (United States)

Prasanyaa, T.; Haris, M.; Jayaramakrishnan, V.; Amgalan, M.; Mathivanan, V.

2013-10-01

Optically transparent Cu2+ and Cd2+ doped l-arginine trifluoroacetate (LATF) single crystals were grown from its aqueous solution using the slow solvent evaporation technique. The grown crystals were characterized by powder x-ray diffraction to confirm the monoclinic crystal structure. The percentage of transmittance measured using the ultraviolet-visible-near infrared spectrophotometer was found to be more than 80% for doped crystals. The functional group analysis of the grown crystals has been made by Fourier transform infrared spectroscopy. Thermogravimetric/differential thermal analysis was performed for the grown crystals. An atomic absorption study was carried out to determine the presence of Cu2+ and Cd2+. The hardness of the grown crystals was assessed and the results show a significant variation in the hardness value between the pure and doped LATF crystals. The second harmonic generation measurements show that Cu2+ doped LATF is 2.8 times greater and Cd2+ doped is 2.6 times greater than KDP. The anti-bacterial and anti-fungal activities of the title compound were performed using the disc diffusion method against standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillus niger and Aspergillus flavus.

Synthesis, characterization and anti-microbial activity of pure, Cu2+ and Cd2+ doped organic NLO l-arginine trifluoroacetate single crystals

International Nuclear Information System (INIS)

Prasanyaa, T; Haris, M; Amgalan, M; Mathivanan, V; Jayaramakrishnan, V

2013-01-01

Optically transparent Cu 2+ and Cd 2+ doped l-arginine trifluoroacetate (LATF) single crystals were grown from its aqueous solution using the slow solvent evaporation technique. The grown crystals were characterized by powder x-ray diffraction to confirm the monoclinic crystal structure. The percentage of transmittance measured using the ultraviolet–visible–near infrared spectrophotometer was found to be more than 80% for doped crystals. The functional group analysis of the grown crystals has been made by Fourier transform infrared spectroscopy. Thermogravimetric/differential thermal analysis was performed for the grown crystals. An atomic absorption study was carried out to determine the presence of Cu 2+ and Cd 2+ . The hardness of the grown crystals was assessed and the results show a significant variation in the hardness value between the pure and doped LATF crystals. The second harmonic generation measurements show that Cu 2+ doped LATF is 2.8 times greater and Cd 2+ doped is 2.6 times greater than KDP. The anti-bacterial and anti-fungal activities of the title compound were performed using the disc diffusion method against standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillus niger and Aspergillus flavus. (paper)

The Synthesis And Characterization Of Wolfram Phthalocyanine For The Target Material Of High Specific Activity Radioisotope Wolfram - 188 (188W)

International Nuclear Information System (INIS)

Setiawan, Duyeh

2000-01-01

The application of 188 Re radioisotope separation on aluminia column through elution solution has increased significantly since the last two decades. The 188 Re radioisotope has been done fram 188 Re beta-decay through a neutron capture radiation on wolfram -186 target. In trhe column separation, high specific activity of 188 W radioisotope is required to get sufficient activity in small quality 188 W radioisotope has been carried out in this research. Wolfram-phthalocyanine compound was prepared by refluxing a mixture of wolfram trioxyde, (WO 3 ) and phthalonitrile, (C 8 H 4 N 2 ) at 250 o C for two hours. The synthesis of wolfram phthalocyanine is 70% purity yield, the product are green crystals, have a 193,0-193,8 o C melting points, and has a molecular formula C 3 2H 1 6 N8 WO 2 . The infra red spectrum of wolfram-phthalocyanine was the absorption band at 964,3 cm - 1 was due to the vibration of W=O bond of the wolfram dioxy-phthalocyanine. The x-ray diffraction of the wolfram dioxy-phthalocyanine was similar with molybdenum dioxy-phthalocyanine compound. This fact showed that the product was wolfram dioxy-phthalocyanine

Unraveling the mechanism of molecular doping in organic semiconductors.

Science.gov (United States)

Mityashin, Alexander; Olivier, Yoann; Van Regemorter, Tanguy; Rolin, Cedric; Verlaak, Stijn; Martinelli, Nicolas G; Beljonne, David; Cornil, Jérôme; Genoe, Jan; Heremans, Paul

2012-03-22

The mechanism by which molecular dopants donate free charge carriers to the host organic semiconductor is investigated and is found to be quite different from the one in inorganic semiconductors. In organics, a strong correlation between the doping concentration and its charge donation efficiency is demonstrated. Moreover, there is a threshold doping level below which doping simply has no electrical effect. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermoelectric Properties of Cu-doped Bi2-xSbxTe3 Prepared by Encapsulated Melting and Hot Pressing

Science.gov (United States)

Jung, Woo-Jin; Kim, Il-Ho

2018-03-01

P-type Bi2-xSbxTe3:Cum (x = 1.5-1.7 and m = 0.002-0.003) solid solutions were synthesized using encapsulated melting and were consolidated using hot pressing. The effects of Sb substitution and Cu doping on the charge transport and thermoelectric properties were examined. The lattice constants decreased with increasing Sb and Cu contents. As the amount of Sb substitution and Cu doping was increased, the electrical conductivity increased, and the Seebeck coefficient decreased owing to the increase in the carrier concentration. All specimens exhibited degenerate semiconductor characteristics and positive Hall and Seebeck coefficients, indicating p-type conduction. The increased Sb substitution caused a shift in the onset temperature of the intrinsic transition and bipolar conduction to higher temperatures. The electronic thermal conductivity increased with increasing Sb and Cu contents owing to the increase in the carrier concentration, while the lattice thermal conductivity slightly decreased due to alloy scattering. A maximum figure of merit, ZTmax = 1.25, was achieved at 373 K for Bi0.4Sb1.6Te3:Cu0.003.

Metal-phthalocyanine ordered layers on Au(110): Metal-dependent adsorption energy

Energy Technology Data Exchange (ETDEWEB)

Massimi, Lorenzo, E-mail: lorenzo.massimi@uniroma1.it; Angelucci, Marco; Gargiani, Pierluigi; Betti, Maria Grazia [Dipartimento di Fisica, Università di Roma La “Sapienza,” 00185 Roma (Italy); Montoro, Silvia [IFIS Litoral, CONICET-UNL, Laboratorio de Fisica de Superficies e Interfaces, Güemes 3450, Santa Fe (Argentina); Mariani, Carlo, E-mail: carlo.mariani@uniroma1.it [Dipartimento di Fisica, CNISM, Università di Roma La “Sapienza,” 00185 Roma (Italy)

2014-06-28

Iron-phthalocyanine and cobalt-phthalocyanine chains, assembled along the Au(110)-(1×2) reconstructed channels, present a strong interaction with the Au metallic states, via the central metal ion. X-ray photoemission spectroscopy from the metal-2p core-levels and valence band high-resolution ultraviolet photoelectron spectroscopy bring to light signatures of the interaction of the metal-phthalocyanine single-layer with gold. The charge transfer from Au to the molecule causes the emerging of a metal-2p core level component at lower binding energy with respect to that measured in the molecular thin films, while the core-levels associated to the organic macrocycle (C and N 1s) are less influenced by the adsorption, and the macrocycles stabilize the interaction, inducing a strong interface dipole. Temperature Programmed Desorption experiments and photoemission as a function of temperature allow to estimate the adsorption energy for the thin-films, mainly due to the molecule-molecule van der Waals interaction, while the FePc and CoPc single-layers remain adsorbed on the Au surface up to at least 820 K.

Fabrication of mesoporous iron (Fe) doped copper sulfide (CuS) nanocomposite in the presence of a cationic surfactant via mild hydrothermal method for supercapacitors

Science.gov (United States)

Brown, J. William; Ramesh, P. S.; Geetha, D.

2018-02-01

We report fabrication of mesoporous Fe doped CuS nanocomposites with uniform mesoporous spherical structures via a mild hydrothermal method employing copper nitrate trihydrate (Cu (NO3).3H2O), Thiourea (Tu,Sc(NH2)2 and Iron tri nitrate (Fe(No3)3) as initial materials with cationic surfactant cetyltrimethylamoniame bromide (CTAB) as stabilizer/size controller and Ethylene glycol as solvent at 130 °C temperature. The products were characterized by XRD, SEM/EDX, TEM, FTIR and UV analysis. X-ray diffraction (XRD) spectra confirmed the Fe doped CuS nanocomposites which are crystalline in nature. EDX and XRD pattern confirmed that the product is hexagonal CuS phase. Fe doped spherical structure of CuS with grain size of 21 nm was confirmed by XRD pattern. Fe doping was identified by energy dispersive spectrometry (EDS). The Fourier-transform infrared (FTIR) spectroscopy results revealed the occurrence of active functional groups required for the reduction of copper ions. Studies showed that after a definite time relining on the chosen copper source, the obtained Fe-CuS nanocomposite shows a tendency towards self-assembly and creating mesoporous like nano and submicro structures by TEM/SAED. The achievable mechanism of producing this nanocomposite was primarily discussed. The electrochemical study confirms the pseudocapacitive nature of the CuS and Fe-CuS electrodes. The CuS and Fe-CuS electrode shows a specific capacitance of about 328.26 and 516.39 Fg-1 at a scan rate of 5 mVs-1. As the electrode in a supercapacitor, the mesoporous nanostructured Fe-CuS shows excellent capacitance characteristics.

Oxygen vacancy rich Cu2O based composite material with nitrogen doped carbon as matrix for photocatalytic H2 production and organic pollutant removal.

Science.gov (United States)

Lu, Lele; Xu, Xinxin; Yan, Jiaming; Shi, Fa-Nian; Huo, Yuqiu

2018-02-06

A nitrogen doped carbon matrix supported Cu 2 O composite material (Cu/Cu2O@NC) was fabricated successfully with a coordination polymer as precursor through calcination. In this composite material, Cu 2 O particles with a size of about 6-10 nm were dispersed evenly in the nitrogen doped carbon matrix. After calcination, some coordinated nitrogen atoms were doped in the lattice of Cu 2 O and replace oxygen atoms, thus generating a large number of oxygen vacancies. In Cu/Cu2O@NC, the existence of oxygen vacancies has been confirmed by electron spin resonance (ESR) and X-ray photoelectron spectroscopy (XPS). Under visible light irradiation, Cu/Cu2O@NC exhibits excellent H 2 production with the rate of 379.6 μmol h -1 g -1 . Its photocatalytic activity affects organic dyes, such as Rhodamine B (RhB) and methyl orange (MO). In addition to photocatalysis, Cu/Cu2O@NC also exhibits striking catalytic activity in reductive conversion of 4-nitrophenol to 4-aminophenol with in presence of sodium borohydride (NaBH 4 ). The conversion efficiency reaches almost 100% in 250 s with the quantity of Cu/Cu2O@NC as low as 5 mg. The outstanding H 2 production and organic pollutants removal are attributed to the oxygen vacancy. We expect that Cu/Cu2O@NC will find its way as a new resource for hydrogen energy as well as a promising material in water purification.

Positron annihilation study of strontium doped YBa2Cu3Osub(7-δ) superconductors

International Nuclear Information System (INIS)

Huang, W.F.; Ouseph, P.J.; Fang, K.; Xu, Z.J.

1988-01-01

Doppler broadened lineshapes of the gamma lines from positron annihilation in Y(Basub(2-x) Srsub(x))Cu 3 )Osub(7-δ) superconductors were measured with x = 0.0 to 1.2. Results are indicative of additional oxygen vacancies introduced by doping. (author)

Use of Ni-Zn ferrites doped with Cu as catalyst in the transesterification of soybean oil to methyl esters

Directory of Open Access Journals (Sweden)

Joelda Dantas

2013-06-01

Full Text Available The purpose of this work is to evaluate the performance of Ni0.5Zn0.5Fe2O4 ferrite doped with 0.1 and 0.4 mol of Cu as a catalyst for the transesterification of soybean oil to biodiesel, using methanol. The samples were characterized by X-ray diffraction, nitrogen adsorption and scanning electron microscopy. The reaction was performed for 2 hours at a temperature of 160 °C, using 10 g of soybean oil, a molar ratio of oil: alcohol of 1:20, and 4% (w/w of catalyst. The product of the reaction was characterized by gas chromatography, which confirmed conversion to methyl esters. The diffraction patterns showed the presence only of Ni0.5Zn0.5Fe2O4 ferrite phase with a crystallite size of 29 nm. The samples doped with 0.1 and 0.4 mol of Cu showed a surface area and particle size of 22.17 m²g- 1 and 50.47 nm; and 23.49 m²g- 1 and 47.64 nm, respectively. The morphology of both samples consisted of brittle block-shaped agglomerates with a wide particle size distribution. A comparative analysis of the two catalysts indicated that the catalyst doped with 0.4 mol of Cu showed the better performance, with a conversion rate of 50.25%, while the catalyst doped with 0.1 mol of Cu showed 42.71% conversion.

Use of Ni-Zn ferrites doped with Cu as catalyst in the transesterification of soybean oil to methyl esters

International Nuclear Information System (INIS)

Dantas, Joelda; Santos, Jakeline Raiane D.; Cunha, Rodrigo Bruno L.; Costa, Ana Cristina F.M.; Kiminami, Ruth Herta G.A.

2013-01-01

The purpose of this work is to evaluate the performance of Ni 0.5 Zn 0.5 Fe 2 O 4 ferrite doped with 0.1 and 0.4 mol of Cu as a catalyst for the transesterification of soybean oil to biodiesel, using methanol. The samples were characterized by X-ray diffraction, nitrogen adsorption and scanning electron microscopy. The reaction was performed for 2 hours at a temperature of 160 °C, using 10 g of soybean oil, a molar ratio of oil: alcohol of 1:20, and 4% (w/w) of catalyst. The product of the reaction was characterized by gas chromatography, which confirmed conversion to methyl esters. The diffraction patterns showed the presence only of Ni 0.5 Zn 0.5 Fe 2 O 4 ferrite phase with a crystallite size of 29 nm. The samples doped with 0.1 and 0.4 mol of Cu showed a surface area and particle size of 22.17 m2 g -1 and 50.47 nm; and 23.49 m 2 g -1 and 47.64 nm, respectively. The morphology of both samples consisted of brittle block-shaped agglomerates with a wide particle size distribution. A comparative analysis of the two catalysts indicated that the catalyst doped with 0.4 mol of Cu showed the better performance, with a conversion rate of 50.25%, while the catalyst doped with 0.1 mol of Cu showed 42.71% conversion. (author)

Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes

DEFF Research Database (Denmark)

Mowbray, Duncan; García Lastra, Juan Maria; Thygesen, Kristian Sommer

2010-01-01

We demonstrate a “bottom up” approach to the computational design of a multifunctional chemical sensor. General techniques are employed for describing the adsorption coverage and resistance properties of the sensor based on density functional theory and non-equilibrium Green's function...... methodologies, respectively. Specifically, we show how Ni and Cu doped metallic (6,6) single-walled carbon nanotubes may work as effective multifunctional sensors for both CO and NH3....

On the superconductivity of doped La2 Cu O4

International Nuclear Information System (INIS)

Vasiliu-Doloc, L.; Apostol, M.

1992-01-01

The superconducting critical temperature and the oxygen isotope shift are analyzed as functions of the doping level x for both La 2-x Sr x Cu O 4 and La 2-x Ba x Cu O 4 within the framework of the theory of high-temperature superconductivity that assumes a coupling between the charge carriers and the oxygen-displacive modes of the lattice. It is shown that an energy gap in the electronic structure at q = ± π/4 (1,±1,0) would markedly depress the critical temperature around x = 1/8 , as for low-temperature tetragonal phase of La 2-x Ba x Cu O 4 , even in the absence of the Fermi surface nesting. On the other hand, a slight reduction in the coupling strength of the model, which may arise in the narrow range around x = 0.12, implies an increase in the oxygen-mass exponent of the lattice frequencies, a decrease in the isotope shift of the critical temperature and a depression of the critical temperature as observed experimentally for both compounds. (Author)

Influence of the dopant concentration on structural, optical and photovoltaic properties of Cu-doped ZnS nanocrystals based bulk heterojunction hybrid solar cells

Science.gov (United States)

Jabeen, Uzma; Adhikari, Tham; Shah, Syed Mujtaba; Pathak, Dinesh; Wagner, Tomas; Nunzi, Jean-Michel

2017-06-01

Zinc sulphide (ZnS) and Cu-doped ZnS nanoparticles were synthesized by the wet chemical method. The nanoparticles were characterized by UV-visible, fluorescence, fourier transform infra-red (FTIR) spectrometry, X-ray diffraction (XRD), X-ray photoelectron spectrometry (XPS), field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM). Scanning electron microscopy supplemented with EDAX was employed to observe the morphology and chemical composition of the un-doped and doped samples. A significant blue shift of the absorption band with respect to the un-doped zinc sulphide was sighted by increasing the Cu concentration in the doped sample with decreasing the size of nanoparticles. Consequently, the band gap was tuned from 3.13 to 3.49 eV due to quantum confinement. The green emission arises from the recombination between the shallow donor level (sulfur vacancy) and the t2 level of Cu2+. However, the fluorescence emission spectrum of the undoped ZnS nanoparticles was deconvoluted into two bands, which are centered at 419 and 468 nm. XRD analysis showed that the nanomaterials were in cubic crystalline state. XRD peaks show that there were no massive crystalline distortions in the crystal lattice when the Cu concentration (0.05-0.1 M) was increased in the ZnS lattice. However, in the case of Cu-doped samples (0.15-0.2 M), the XRD pattern showed an additional peak at 37° due to incomplete substitution occurring during the experimental reaction step. A comparative study of surfaces of undoped and Cu-doped ZnS nanoparticles were investigated using X-ray photoelectron spectroscopy (XPS). The synthesized nanomaterial in combination with poly(3-hexylthiophene) (P3HT) was used in the fabrication of solar cells. The devices with ZnS nanoparticles showed an efficiency of 0.31%. The overall power conversion efficiency of the solar cells at 0.1 M Cu content in doped ZnS nanoparticles was found to be 1.6 times higher than the

Resonant inelastic x-ray scattering studies of magnons and bimagnons in the lightly doped cuprate La2 -xSrxCuO4

Science.gov (United States)

Chaix, L.; Huang, E. W.; Gerber, S.; Lu, X.; Jia, C.; Huang, Y.; McNally, D. E.; Wang, Y.; Vernay, F. H.; Keren, A.; Shi, M.; Moritz, B.; Shen, Z.-X.; Schmitt, T.; Devereaux, T. P.; Lee, W.-S.

2018-04-01

We investigated the doping dependence of magnetic excitations in the lightly doped cuprate La2 -xSrxCuO4 via combined studies of resonant inelastic x-ray scattering (RIXS) at the Cu L3 edge and theoretical calculations. With increasing doping, the magnon dispersion is found to be essentially unchanged, but the spectral width broadens and the spectral weight varies differently at different momenta. Near the Brillouin zone center, we directly observe bimagnon excitations that possess the same energy scale and doping dependence as previously observed by Raman spectroscopy. They disperse weakly in energy-momentum space, and they are consistent with a bimagnon dispersion that is renormalized by the magnon-magnon interaction at the zone center.

Size effect on the SHG properties of Cu-doped CdI{sub 2} nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Miah, M. Idrish, E-mail: m.miah@griffith.edu.au [Queensland Micro- and Nanotechnology Centre, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); School of Biomolecular and Physical Sciences, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); Department of Physics, University of Chittagong, Chittagong 4331 (Bangladesh)

2009-12-15

Because the optically induced second harmonic generation (SHG) is prevented by symmetry in a centrosymmetric material, one needs to form noncentrosymmetric processes in order to observe the SHG. However, one of the efficient ways to enhance the noncentrosymmetricity of a material is to dope it with an appropriate impurity and amount. We grow Cu-doped CdI{sub 2} layered nanocrystal structures from the mixture of CdI{sub 2} and CuI using the standard Bridgman-Stockbarger method and investigate the nano-confined effects by studying the second-order optical effect via the measurements of SHG. The second-order susceptibility for the nanocrystals is calculated and the values at liquid helium temperature range from 0.38 to 0.83 pm V{sup -1} for the thicknesses of 10-0.8 nm respectively. The size dependence demonstrates the nano-sized quantum-confined effect with a clear increase in the SHG with decreasing the thickness of the nanocrystal or crystal temperature. Since the local electron-phonon anharmonicity is described by third-order rank tensors in disordered systems, the SHG is very similar to that one introduced for the third-order optical susceptibility. It has been confirmed by observing the large photoluminescent yield of the pure crystals. The Raman scattering spectra taken for thin nanocrystals confirm the phonon modes originating from interlayer phonons crucially responsible for the observed effects. The obtained results show that the Cu-doped CdI{sub 2} layered nanocrystals are promising materials for applications in optoelectronic nano-devices.

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

Science.gov (United States)

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

2006-04-01

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

Ceramic Composites of 3Y-TZP Doped with CuO: Processing, Microstructure and Tribology

NARCIS (Netherlands)

Ran, S.

2006-01-01

The work described in this thesis is about processing, microstructure and tribology of CuO doped 3Y-TZP (3 mol% yttria stabilised tetragonal zirconia polycrystals) composite ceramics. This group of materials has shown attractive properties such as superplastic behaviour at elevated temperature and a

Evidence of chemical-potential shift with hole doping in Bi2Sr2CaCu2O8+δ

International Nuclear Information System (INIS)

Shen, Z.; Dessau, D.S.; Wells, B.O.; Olson, C.G.; Mitzi, D.B.; Lombado, L.; List, R.S.; Arko, A.J.

1991-01-01

We have performed photoemission studies on high-quality Bi 2 Sr 2 CaCu 2 O 8+δ samples with various δ. Our results show a clear chemical-potential shift (0.15--0.2 eV) as a function of doping. This result and the existing angle-resolved-photoemission data give a rather standard doping behavior of this compound in its highly doped regime

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

Growth and properties of oxygen- and ion-doped Bi2Sr2CaCu2O8+δ single crystals

International Nuclear Information System (INIS)

Mitzi, D.B.; Lombardo, L.W.; Kapitulnik, A.; Laderman, S.S.; Jacowitz, R.D.

1990-01-01

A directional solidification method for growing large single crystals in the Bi 2 Sr 2 CaCu 2 O 8+δ system is reported. Ion doping, with replacement of La for Sr and Y for Ca, as well as oxygen doping in these crystals has been explored. Doped and undoped crystals have been characterized using microprobe analysis, x-ray diffraction, thermogravimetric analysis, and magnetic and Hall measurements. Ion doping results in little change of the superconducting transition for substitution levels below 20--25%, while beyond this level the Meissner signal broadens and the low-temperature Meissner signal decreases. Microprobe analysis and x-ray diffraction performed on these more highly substituted single crystals provide evidence for inhomogeneity and phase segregation into regions of distinct composition. Annealing unsubstituted crystals in increasing partial pressures of oxygen reversibly depresses the superconducting transition temperature from 90 (as made) to 77 K (oxygen pressure annealed), while the carrier concentrations, as determined from Hall effect measurements, increase from n=3.1(3)x10 21 cm -3 (0.34 holes per Cu site) to 4.6(3)x10 21 cm -3 (0.50 holes per Cu site)

Beta radiation induced luminescence of polycrystalline Cu-doped Li{sub 2}B{sub 4}O{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Cruz-Zaragoza, E., E-mail: ecruz@nucleares.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, A.P. 70543, México D.F. 04510, México (Mexico); Furetta, C. [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, A.P. 70543, México D.F. 04510, México (Mexico); Marcazzó, J.; Santiago, M. [Instituto de Física Arroyo Seco (UNCPBA) and CIFICEN (UNCPBA – CICPBA – CONICET), Pinto 399, 7000 Tandil (Argentina); Guarneros, C. [Centro de Investigación en Ciencia y Tecnología Avanzada- IPN, Carretera Puerto Industrial Altamira Km 14.5, 896000 Altamira, Tamaulipas, México (Mexico); Consejo Nacional de Ciencia y Tecnología, Av. Insurgentes Sur 1582, 03940 México D.F., México (Mexico); Pacio, M. [Centro de Investigación en Dispositivos Semiconductores, Instituto de Ciencias Universidad Autónoma de Puebla, Av. 14 Sur, 72570 Puebla, México (Mexico); Palomino, R. [Facultad de Ciencias Físico-Matemáticas, Benemérita Universidad Autónoma de Puebla, Av. San Claudio y 18 Sur, 72570 Puebla, México (Mexico)

2016-11-15

Thermoluminescence (TL) and radioluminescence (RL) properties of polycrystalline lithium tetraborate (Li{sub 2}B{sub 4}O{sub 7}) doped with different concentrations of copper (0.25, 0.5, 1 wt %) under beta irradiation have been investigated. The feasibility of using this borate in radiation dosimetry at low doses has been evaluated. Tissue equivalent Li{sub 2}B{sub 4}O{sub 7} was prepared by solid state reaction using mixing stoichiometric compositions of lithium carbonate (Li{sub 2}CO{sub 3}) and boric acid (H{sub 3}BO{sub 3}) and a solution of CuCl{sub 2} as dopant. The glow curve of the most efficient copper doped borate (Li{sub 2}B{sub 4}O{sub 7}:Cu 0.5 wt %) shows a main stable peak centered at 225 °C and a second low temperature peak centered at 80 °C. The low temperature peak fades completely after 24 h of storage in darkness and at room temperature or after an annealing at 120 °C for 10 s. The main peak of the Li{sub 2}B{sub 4}O{sub 7}:Cu remains constant. The TL response of Li{sub 2}B{sub 4}O{sub 7}:Cu shows good linearity in the analyzed dose range. The stability and repeatability of RL signals of the borate have been studied and the Li{sub 2}B{sub 4}O{sub 7}:Cu (0.5 wt %) shows the higher RL emission and a stable and repetitive response. Results show that polycrystalline Li{sub 2}B{sub 4}O{sub 7}:Cu has prospects to be used in beta radiation dosimetry. - Highlights: • Polycrystalline Cu-doped lithium tetraborate (LTB) was obtained by high temperature solid state reaction. • Beta-irradiated LTB:Cu (0.5 wt %) showed to have the highest TL and RL response. • A very good TL linearity in the dose range from 0.01 up to 100 Gy was obtained. • No fading is observed when an annealing at 120 °C for 10 s is carried out. • Results show that LTB:Cu has good prospects to be used in beta radiation dosimetry.

Cobalt-phthalocyanine-derived ultrafine Co{sub 3}O{sub 4} nanoparticles as high-performance anode materials for lithium ion batteries

Energy Technology Data Exchange (ETDEWEB)

Wang, Heng-guo, E-mail: wanghengguo@cust.edu.cn; Zhu, Yanjie; Yuan, Chenpei; Li, Yanhui; Duan, Qian, E-mail: duanqian88@hotmail.com

2017-08-31

Highlights: • Transition-metal oxides nanoparticles are prepared by deriving from metal-phthalocyanine. • Co{sub 3}O{sub 4}, Fe{sub 2}O{sub 3}, and CuO nanoparticles can be prepared due to the adjustability of central metals. • This present strategy is simple, general, effective yet mass-production. • The Co{sub 3}O{sub 4} nanoparticles exhibit good lithium storage performances. - Abstract: In this work, we present a simple, general, effective yet mass-production strategy to prepare transition-metal oxides (TMOs) nanoparticles using the metal-phthalocyanine as both the precursor and the starting self-sacrificial template. As the central metals of metal-phthalocyanine are easily tunable, various TMOs nanoparticles including Co{sub 3}O{sub 4}, Fe{sub 2}O{sub 3}, and CuO have been successfully prepared by deriving from the corresponding metal-phthalocyanine. As a proof-of-concept demonstration of the application of such nanostructured TMOs, Co{sub 3}O{sub 4} nanoparticles were evaluated as anode materials for LIBs, which show high initial capacity (1132.9 mAh g{sup −1} at 0.05 A g{sup −1}), improved cycling stability (585.6 mAh g{sup −1} after 200 cycles at 0.05 A g{sup −1}), and good rate capability (238.1 mAh g{sup −1} at 2 A g{sup −1}) due to the unique properties of the ultrafine Co{sub 3}O{sub 4} nanoparticles. This present strategy might open new avenues for the design of a series of transition metal oxides using organometallic compounds for a range of applications.

Growth of Cu2O on Ga-doped ZnO and their interface energy alignment for thin film solar cells

International Nuclear Information System (INIS)

Wong, L. M.; Chiam, S. Y.; Wang, S. J.; Pan, J. S.; Huang, J. Q.; Chim, W. K.

2010-01-01

Cu 2 O thin films are deposited by direct current reactive magnetron sputtering on borofloat glass and indium tin oxide (ITO) coated glass at room temperature. The effect of oxygen partial pressure on the structures and properties of Cu 2 O thin films are investigated. We show that oxygen partial pressure is a crucial parameter in achieving pure phases of CuO and Cu 2 O. Based on this finding, we fabricate heterojunctions of p-type Cu 2 O with n-type gallium doped ZnO (GZO) on ITO coated glass substrates by pulsed laser deposition for GZO thin films. The energy band alignment for thin films of Cu 2 O/GZO on ITO glass is characterized using high-resolution x-ray photoelectron spectroscopy. The energy band alignment for the Cu 2 O/GZO heterojunctions is determined to be type II with a valence band offset of 2.82 eV and shows negligible effects of variation with gallium doping. The higher conduction band of the Cu 2 O relative to that of GZO in the obtained band alignment shows that the heterojunctions are suitable for solar cell application based on energy levels consideration.

Two-dimensional Cu2Si sheet: a promising electrode material for nanoscale electronics

Science.gov (United States)

Meng Yam, Kah; Guo, Na; Zhang, Chun

2018-06-01

Building electronic devices on top of two-dimensional (2D) materials has recently become one of most interesting topics in nanoelectronics. Finding high-performance 2D electrode materials is one central issue in 2D nanoelectronics. In the current study, based on first-principles calculations, we compare the electronic and transport properties of two nanoscale devices. One device consists of two single-atom-thick planar Cu2Si electrodes, and a nickel phthalocyanine (NiPc) molecule in the middle. The other device is made of often-used graphene electrodes and a NiPc molecule. Planer Cu2Si is a new type of 2D material that was recently predicted to exist and be stable under room temperature [11]. We found that at low bias voltages, the electric current through the Cu2Si–NiPc–Cu2Si junction is about three orders higher than that through graphene–NiPc–graphene. Detailed analysis shows that the surprisingly high conductivity of Cu2Si–NiPc–Cu2Si originates from the mixing of the Cu2Si state near Fermi energy and the highest occupied molecular orbital of NiPc. These results suggest that 2D Cu2Si may be an excellent candidate for electrode materials for future nanoscale devices.

High critical currents in heavily doped (Gd,Y)Ba2Cu3Ox superconductor tapes

Energy Technology Data Exchange (ETDEWEB)

Selvamanickam, V; Gharahcheshmeh, MH; Xu, A; Galstyan, E; Delgado, L; Cantoni, C

2015-01-19

REBa2Cu3Ox ((REBCO), RE = rare earth) superconductor tapes with moderate levels of dopants have been optimized for high critical current density in low magnetic fields at 77 K, but they do not exhibit exemplary performance in conditions of interest for practical applications, i.e., temperatures less than 50K and fields of 2-30 T. Heavy doping of REBCO tapes has been avoided by researchers thus far due to deterioration in properties. Here, we report achievement of critical current densities (J(c)) above 20 MA/cm(2) at 30 K, 3 T in heavily doped (25 mol.% Zr-added) (Gd,Y)Ba2Cu3Ox superconductor tapes, which is more than three times higher than the J(c) typically obtained in moderately doped tapes. Pinning force levels above 1000 GN/m(3) have also been attained at 20 K. A composition map of lift factor in J(c) (ratio of J(c) at 30 K, 3 T to the J(c) at 77 K, 0 T) has been developed which reveals the optimum film composition to obtain lift factors above six, which is thrice the typical value. A highly c-axis aligned BaZrO3 (BZO) nanocolumn defect density of nearly 7 x 10(11) cm(-2) as well as 2-3 nm sized particles rich in Cu and Zr have been found in the high J(c) films. (C) 2015 AIP Publishing LLC.

Synthesis, aggregation and spectroscopic studies of novel water soluble metal free, zinc, copper and magnesium phthalocyanines and investigation of their anti-bacterial properties

Science.gov (United States)

Bayrak, Rıza; Akçay, Hakkı Türker; Beriş, Fatih Şaban; Şahin, Ertan; Bayrak, Hacer; Demirbaş, Ümit

2014-12-01

In this study, novel phthalonitrile derivative (3) was synthesized by the reaction between 4-nitrophthalonitrile (2) and a triazole derivative (1) containing pyridine moiety. Crystal structure of compound (3) was characterized by X-ray diffraction. New metal free and metallo-phthalocyanine complexes (Zn, Cu, and Mg) were synthesized using the phthalonitrile derivative (3). Cationic derivatives of these phthalocyanines (5, 7, 9, and 11) were prepared from the non-ionic phthalocyanines (4, 6, 8, and 10). All proposed structures were supported by instrumental methods. The aggregation behaviors of the phthalocyanines (4-11) were investigated in different solvents such as dimethylsulfoxide (DMSO), N,N-dimethylformamide (DMF), chloroform and water. Water soluble cationic Pcs (5, 7, 9, and 11) aggregated in water and sodium dodecyl sulfate was used to prevent the aggregation. The second derivatives of the UV-Vis spectra of aggregated Pcs were used for analyzing the Q and B bands of aggregated species. Thermal behaviors of the phthalocyanines were also studied. In addition, anti-bacterial properties of the phthalocyanines were investigated. We used four gram negative and two gram positive bacteria to determine antibacterial activity of these compounds. Compound 7 has the best activity against the all bacteria with 125 μg/mL of MIC value. Compounds 4, 6, and 10 have the similar effect on the bacteria with 250 μg/mL of MIC value.

Defect concentration in nitrogen-doped graphene grown on Cu substrate: A thickness effect

Energy Technology Data Exchange (ETDEWEB)

Sharma, Dhananjay K., E-mail: dhananjay@ua.pt [Department of Physics & CICECO – Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro (Portugal); Department of Mechanical Engineering & Centre for Mechanical Technology & Automation, University of Aveiro, 3810-193 Aveiro (Portugal); Fateixa, Sara [Department of Chemistry & CICECO – Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro (Portugal); Hortigüela, María J. [Department of Mechanical Engineering & Centre for Mechanical Technology & Automation, University of Aveiro, 3810-193 Aveiro (Portugal); Vidyasagar, Reddithota [Department of Physics & CICECO – Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro (Portugal); Otero-Irurueta, Gonzalo [Department of Mechanical Engineering & Centre for Mechanical Technology & Automation, University of Aveiro, 3810-193 Aveiro (Portugal); Nogueira, Helena I.S. [Department of Chemistry & CICECO – Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro (Portugal); Singh, Manoj Kumar [Department of Mechanical Engineering & Centre for Mechanical Technology & Automation, University of Aveiro, 3810-193 Aveiro (Portugal); Kholkin, Andrei, E-mail: kholkin@ua.pt [Department of Physics & CICECO – Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro (Portugal); School of Natural Sciences and Mathematics, Ural Federal University, 620000 Ekaterinburg (Russian Federation)

2017-05-15

Tuning the band-gap of graphene is a current need for real device applications. Copper (Cu) as a substrate plays a crucial role in graphene deposition. Here we report the fabrication of in-situ nitrogen (N) doped graphene via chemical vapor deposition (CVD) technique and the effect of Cu substrate thickness on the growth mechanism. The ratio of intensities of G and D peaks was used to evaluate the defect concentration based on local activation model associated with the distortion of the crystal lattice due to incorporation of nitrogen atoms into graphene lattice. The results suggest that Cu substrate of 20 µm in thickness exhibits higher defect density (1.86×10{sup 12} cm{sup −2}) as compared to both 10 and 25 µm thick substrates (1.23×10{sup 12} cm{sup −2} and 3.09×10{sup 11} cm{sup −2}, respectively). Furthermore, High Resolution -X-ray Photoelectron Spectroscopy (HR-XPS) precisely affirms ~0.4 at% of nitrogen intercalations in graphene. Our results show that the substitutional type of nitrogen doping dominates over the pyridinic configuration. In addition, X-ray diffraction (XRD) shows all the XRD peaks associated with carbon. However, the peak at ~24° is suppressed by the substrate peaks (Cu). These results suggest that nitrogen atoms can be efficiently incorporated into the graphene using thinner copper substrates, rather than the standard 25 µm ones. This is important for tailoring the properties by graphene required for microelectronic applications.

Defect evolution and its impact on the ferromagnetism of Cu-doped ZnO nanocrystals upon thermal treatment: A positron annihilation study

Science.gov (United States)

Chen, Zhi-Yuan; Chen, Yuqian; Zhang, Q. K.; Qi, N.; Chen, Z. Q.; Wang, S. J.; Li, P. H.; Mascher, P.

2017-01-01

CuO/ZnO nanocomposites with 4 at. % CuO were annealed in air at various temperatures between 100 and 1200 °C to produce Cu-doped ZnO nanocrystals. X-ray diffraction shows that a CuO phase can be observed in the CuO/ZnO nanocomposites annealed at different temperatures, and the Cu-doped ZnO nanocrystals are identified to be of wurtzite structure. The main peak (101) appears at slightly lower diffraction angles with increasing annealing temperature from 400 up to 1200 °C, which confirms the successful doping of Cu into the ZnO lattice above 400 °C. Scanning electron microscopy indicates that most particles in the CuO/ZnO nanocomposites are isolated when annealing at 100-400 °C, but these particles have a tendency to form clusters or aggregates as the annealing temperature increases from 700 to 1000 °C. Positron annihilation measurements reveal a large number of vacancy defects in the interface region of the nanocomposites, and they are gradually recovered with increasing annealing temperature up to 1000 °C. Room-temperature ferromagnetism can be observed in the CuO/ZnO nanocomposites, and the magnetization decreases continuously with increasing annealing temperature. However, there may be several different origins of ferromagnetism in the CuO/ZnO nanocomposites. At low annealing temperatures, the ferromagnetism originates from the CuO nanograins, and the ferromagnetism of CuO nanograins decreases with an increase in the grain size after subsequent higher temperature annealing, which leads to the weakening of ferromagnetism in the CuO/ZnO nanocomposites. After annealing from 400 to 1000 °C, the ferromagnetism gradually vanishes. The ferromagnetism is probably induced by Cu substitution but is mediated by vacancy defects in the CuO/ZnO nanocomposites. The disappearance of ferromagnetism coincides well with the recovery of vacancy defects. It can be inferred that the ferromagnetism is mediated by vacancy defects that are distributed in the interface region.

Effects of calcium doping on the superconducting properties of top-seeded melt growth processed Y1.5Ba2-xCaxCu3Oy superconductors

International Nuclear Information System (INIS)

Park, S.D.; Kim, H.J.; Park, B.J.; Han, Y.H.; Jun, B.-H.; Lee, J.S.; Kim, C.-J.

2011-01-01

We study effects of calcium doping in melt processed Y123 superconductors. We examine a superconducting transition temperature and current density. A transition temperature and current density decreases by calcium doping. Calcium doping leads to coarseing of Y211 particles. Y211 refining effect by CeO 2 is disappreared by calcium doping. The effect of calcium doping on the superconducting properties of top seeded melt growth (TSMG) processed Y 1.5 Ba 2-x Ca x Cu 3 O y superconductors was studied in terms of calcium content (X ca ). YBa 2-x Ca x Cu 3 O 7-δ (X ca = 0, 0.005, 0.01, 0.02, 0.04, 0.1, 0.3) powders were synthesized by the powder calcination method. YBa 2-x Ca x Cu 3 O 7-δ powders were mixed with 0.25 mole Y 2 O 3 powder and 1 wt.% CeO 2 as Y 2 BaCuO 5 (Y211) refiner, and finally made into Y 1 . 5 Ba 2-x Ca x Cu 3 O y (Y1.5) + 1 wt.% CeO 2 composition. The single Y123 growth on the top surface was observed up to X ca = 0.1, while the multiple Y123 growth was observed at X ca ≥ 0.1. The superconducting transition temperature (T c ) and critical current density (J c ) of TSMG processed Y1.5 samples were inversely proportional to X ca . The Y211 size increased with increasing X ca due to the enhancement of Y211 coarsening by calcium doping. No Y211 refining effect by CeO 2 was observed in the calcium doped samples. The T c and J c decrease by calcium doping are likely to be due to the calcium incorporation with the Y123 lattice and formation of coarse Y211 particles.

Fabrication of CuO-doped catalytic material containing zeolite synthesized from red mud and rice husk ash for CO oxidation

Science.gov (United States)

Hieu Do Thi, Minh; Thinh Tran, Quoc; Nguyen, Tri; Van Nguyen Thi, Thuy; Huynh, Ky Phuong Ha

2018-06-01

In this study a series of the CuO-doped materials containing zeolite with varying CuO contents were synthesized from red mud (RM) and rice husk ash (RHA). The rice husk ash/red mud with the molar ratio of , and being 1.8, 2.5 and 60, respectively, were maintained during the synthetic process of materials. The characteristic structure samples were analyzed by x-ray diffraction (XRD), Fourier transformed infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscope (TEM), Brunauer–Emmett–Teller (BET) surface area and H2 temperature program reduction (H2-TPR). The catalytic activity of samples was evaluated in CO oxidation reaction in a microflow reactor at temperature range 200 °C–350 °C. The obtained results showed that all synthetic samples there exist the A-type zeolites with the average crystal size of 15–20 nm, the specific surface area of , and pore volume of . The material synthesized from RM and RHA with the zeolite structure (ZRM, undoped CuO) could also oxidize CO completely at 350 °C, and its activity was increase significantly when doped with CuO. CuO-doped materials with the zeolite structure exhibited excellent catalytic activity in CO oxidation. The ZRM sample loading 5 wt% CuO with particle nanosize about 10–30 nm was the best one for CO oxidation with complete conversion temperature at 275 °C.

EPR and optical absorption study of Cu{sup 2+} doped lithium sulphate monohydrate (LSMH) single crystals

Energy Technology Data Exchange (ETDEWEB)

Sheela, K. Juliet; Subramanian, P., E-mail: psubramaniangri@gmail.com [Department of Physics, Gandhigram Rural Institute-Deemed University, Gandhigram, Dindigul-624302, Tamilnadu (India); Krishnan, S. Radha; Shanmugam, V. M. [CSIR-Central Electrochemical Research Institute, Karaikudi-63006, Tamilnadu (India)

2016-05-23

EPR study of Cu{sup 2+} doped NLO active Lithium Sulphate monohydrate (Li{sub 2}SO{sub 4.}H{sub 2}O) single crystals were grown successfully by slow evaporation method at room temperature. The principal values of g and A tensors indicate existence of orthorhombic symmetry around the Cu{sup 2+} ion. From the direction cosines of g and A tensors, the locations of Cu{sup 2+} in the lattice have been identified as interstitial site. Optical absorption confirms the rhombic symmetry and ground state wave function of the Cu{sup 2+} ion in a lattice as d{sub x2-y2}.

Thermoelectric Properties of Cu-Doped n-Type Bi2Te2.85Se0.15 Prepared by Liquid Phase Growth Using a Sliding Boat

Science.gov (United States)

Kitagawa, Hiroyuki; Matsuura, Tsukasa; Kato, Toshihito; Kamata, Kin-ya

2015-06-01

N-type Bi2Te2.85Se0.15 thermoelectric materials were prepared by liquid phase growth (LPG) using a sliding boat, a simple and short fabrication process for Bi2Te3-related materials. Cu was selected as a donor dopant, and its effect on thermoelectric properties was investigated. Thick sheets and bars of Cu x Bi2 Te2.85Se0.15 ( x=0-0.25) of 1-2mm in thickness were obtained using the process. X-ray diffraction patterns and scanning electron micrographs showed that the in-plane direction tended to correspond to the hexagonal c-plane, which is the preferred direction for thermoelectric conversion. Cu-doping was effective in controlling conduction type and carrier (electron) concentration. The conduction type was p-type for undoped Bi2Te2.85Se0.15 and became n-type after Cu-doping. The Hall carrier concentration was increased by Cu-doping. Small resistivity was achieved in Cu0.02Bi2Te2.85Se0.15 owing to an optimized amount of Cu-doping and high crystal orientation. As a result, the maximum power factor near 310K for Cu0.02Bi2Te2.85Se0.15 was approximately 4×10-3W/K2m and had good reproducibility. Furthermore, the thermal stability of Cu0.02Bi2Te2.85Se0.15 was also confirmed by thermal cycling measurements of electrical resistivity. Thus, n-type Bi2Te2.85Se0.15 with a large power factor was prepared using the present LPG process.

Use of Ni-Zn ferrites doped with Cu as catalyst in the transesterification of soybean oil to methyl esters

Energy Technology Data Exchange (ETDEWEB)

Dantas, Joelda; Santos, Jakeline Raiane D.; Cunha, Rodrigo Bruno L.; Costa, Ana Cristina F.M., E-mail: joeldadantas@yahoo.com.br [Universidade Federal de Campina Grande (LabSMaC/UFCG), PB (Brazil). Dept. de Engenharia de Materiais. Lab. de Sintese de Materiais Ceramicos; Kiminami, Ruth Herta G.A. [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Dept. de Engenhria de Materiais

2013-11-01

The purpose of this work is to evaluate the performance of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ferrite doped with 0.1 and 0.4 mol of Cu as a catalyst for the transesterification of soybean oil to biodiesel, using methanol. The samples were characterized by X-ray diffraction, nitrogen adsorption and scanning electron microscopy. The reaction was performed for 2 hours at a temperature of 160 Degree-Sign C, using 10 g of soybean oil, a molar ratio of oil: alcohol of 1:20, and 4% (w/w) of catalyst. The product of the reaction was characterized by gas chromatography, which confirmed conversion to methyl esters. The diffraction patterns showed the presence only of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ferrite phase with a crystallite size of 29 nm. The samples doped with 0.1 and 0.4 mol of Cu showed a surface area and particle size of 22.17 {sup m2}g{sup -1} and 50.47 nm; and 23.49 m{sup 2}g{sup -1} and 47.64 nm, respectively. The morphology of both samples consisted of brittle block-shaped agglomerates with a wide particle size distribution. A comparative analysis of the two catalysts indicated that the catalyst doped with 0.4 mol of Cu showed the better performance, with a conversion rate of 50.25%, while the catalyst doped with 0.1 mol of Cu showed 42.71% conversion. (author)

Remarkable activity of nitrogen-doped hollow carbon spheres encapsulated Cu on synthesis of dimethyl carbonate: Role of effective nitrogen

Science.gov (United States)

Li, Haixia; Zhao, Jinxian; Shi, Ruina; Hao, Panpan; Liu, Shusen; Li, Zhong; Ren, Jun

2018-04-01

A critical aspect in the improvement of the catalytic performance of Cu-based catalysts for the synthesis of dimethyl carbonate (DMC) is the development of an appropriate support. In this work, nitrogen-doped hollow carbon spheres (NHCSs), with 240 nm average diameter, 17 nm shell thickness, uniform mesoporous structure and a specific surface area of 611 m2 g-1, were prepared via a two-step Stӧber method. By varying the quantity of nitrogen-containing phenols used in the preparation it has been possible to control the nitrogen content and, consequently, the sphericity of the NHCSs. It was found that perfect spheres were obtained for nitrogen contents below 5.4 wt.%. The catalysts (Cu@NHCSs) were prepared by the hydrothermal impregnation method. The catalytic activity towards DMC synthesis was notably enhanced due to the immobilization effect on Cu particles and the enhanced electron transfer effect exercised by the effective nitrogen species, including pyridinic-N and graphitic-N. When the average size of the copper nanoparticles was 7.4 nm and the nitrogen content was 4.0 wt.%, the values of space-time yield of DMC and of turnover frequency (TOF) reached 1528 mg/(g h) and 11.0 h-1, respectively. The TOF value of Cu@NHCSs was 6 times higher than non-doped Cu@Carbon (2.1 h-1). The present work introduces the potential application of nitrogen-doped carbon materials and presents a novel procedure for the preparation of catalysts for DMC synthesis.

Remote Molecular Doping of Colloidal Quantum Dot Photovoltaics

KAUST Repository

Kirmani, Ahmad R.

2016-10-07

In recent years colloidal quantum dot (CQD) photovoltaics have developed rapidly because of novel device architectures and robust surface passivation schemes. Achieving controlled net doping remains an important unsolved challenge for this field. Herein we present a general molecular doping platform for CQD solids employing a library of metal–organic complexes. Low effective ionization energy and high electron affinity complexes are shown to produce n- and p-doped CQD solids. We demonstrate the obvious advantage in solar cells by p-doping the CQD absorber layer. Employing photoemission spectroscopy, we identify two doping concentration regimes: lower concentrations lead to efficient doping, while higher concentrations also cause large surface dipoles creating energy barriers to carrier flow. Utilizing the lower concentration regime, we remove midgap electrons leading to 25% enhancement in the power conversion efficiency relative to undoped cells. Given the vast number of available metal–organic complexes, this approach opens new and facile routes to tuning the properties of CQDs for various applications without necessarily resorting to new ligand chemistries.

Remote Molecular Doping of Colloidal Quantum Dot Photovoltaics

KAUST Repository

Kirmani, Ahmad R.; Kiani, Amirreza; Said, Marcel M.; Voznyy, Oleksandr; Wehbe, Nimer; Walters, Grant; Barlow, Stephen; Sargent, Edward H.; Marder, Seth R.; Amassian, Aram

2016-01-01

In recent years colloidal quantum dot (CQD) photovoltaics have developed rapidly because of novel device architectures and robust surface passivation schemes. Achieving controlled net doping remains an important unsolved challenge for this field. Herein we present a general molecular doping platform for CQD solids employing a library of metal–organic complexes. Low effective ionization energy and high electron affinity complexes are shown to produce n- and p-doped CQD solids. We demonstrate the obvious advantage in solar cells by p-doping the CQD absorber layer. Employing photoemission spectroscopy, we identify two doping concentration regimes: lower concentrations lead to efficient doping, while higher concentrations also cause large surface dipoles creating energy barriers to carrier flow. Utilizing the lower concentration regime, we remove midgap electrons leading to 25% enhancement in the power conversion efficiency relative to undoped cells. Given the vast number of available metal–organic complexes, this approach opens new and facile routes to tuning the properties of CQDs for various applications without necessarily resorting to new ligand chemistries.

Synthesis and photophysical properties of indium(III) phthalocyanine derivatives

Energy Technology Data Exchange (ETDEWEB)

Özceşmeci, İbrahim, E-mail: ozcesmecii@itu.edu.tr [Department of Chemistry, Technical University of Istanbul, Maslak 34469, Istanbul (Turkey); Gelir, Ali [Department of Physics, Technical University of Istanbul, Maslak 34469, Istanbul (Turkey); Gül, Ahmet [Department of Chemistry, Technical University of Istanbul, Maslak 34469, Istanbul (Turkey)

2014-03-15

Three chloroindium(III) phthalocyanine derivatives bearing four aromatic (naphthalene or pyrene) or aliphatic (hexylthio) groups were prepared from corresponding phthalonitrile compounds. The indium(III) phthalocyanine derivatives were characterized with elemental analyses, mass, proton nuclear magnetic resonance ({sup 1}H NMR), Fourier transform infrared spectroscopy (FT-IR) and ultraviolet–visible spectroscopy (UV–vis) techniques. Quantum yields and the energy transfer from the substituents to phthalocyanine core were examined. No energy transfer was observed for 5. The energy transfer efficiency from pyrene units to indium phthalocyanine core was calculated as 0.27 for 6. Quantum yields of all samples were very small due to heavy atom effect of indium atom in the core. It was also observed that upon binding of pyrene and naphthalene units to indium phthalocyanine as substituents, the quantum yields of indium phthalocyanine parts of 5 and 6 decreased. -- Highlights: • Three chloroindium(III) phthalocyanines were prepared and characterized. • Aggregation properties of these compounds were investigated. • The energy transfer efficiency was examined. • Quantum yield of these systems were calculated.

Layer-by-layer self-assembling copper tetrasulfonated phthalocyanine on carbon nanotube modified glassy carbon electrode for electro-oxidation of 2-mercaptoethanol

International Nuclear Information System (INIS)

Shaik, Mahabul; Rao, V.K.; Gupta, Manish; Pandey, P.

2012-01-01

This paper describes the electrocatalytic activity of layer-by-layer self-assembled copper tetrasulfonated phthalocyanine (CuPcTS) on carbon nanotube (CNT)-modified glassy carbon (GC) electrode. CuPcTS is immobilized on the negatively charged CNT surface by alternatively assembling a cationic poly(diallyldimethylammonium chloride) (PDDA) layer and a CuPcTS layer. UV–vis absorption spectra and electrochemical measurements suggested the successive linear depositions of the bilayers of CuPcTs and PDDA on CNT. The surface morphology was observed using scanning electron microscopy. The viability of this CuPcTS/PDDA/CNT modified GC electrode as a redox mediator for the anodic oxidation and sensitive amperometric determination of 2-mercaptoethanol (2-ME) in alkaline conditions is described. The effect of number of bilayers of CuPcTS/PDDA and pH on electrochemical oxidation of 2-ME was studied. The proposed electrochemical sensor displayed excellent characteristics towards the determination of 2-ME in 0.1 M NaOH; such as low overpotentials (− 0.15 V vs Ag/AgCl), linear concentration range of 3 × 10 −5 M to 6 × 10 −3 M, and with a detection limit of 2.5 × 10 −5 M using simple amperometry. - Highlights: ► Carbon nanotubes (CNT) were drop-dried on glassy carbon electrode (GCE). ► Copper tetrasulfonated phthalocyanine (CuPcTS) was deposited on CNT/GCE. ► Layer-by-layer self-assembling method is used for depositing CuPcTS. ► Electrocatalytic oxidation of 2-mercaptoethanol (ME) was studied at this electrode ► The detection limit of ME at modified electrode was 25 μM by amperometry.

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

Growth of nucleation sites on Pb-doped Bi2Sr2Ca1Cu2O8+δ

International Nuclear Information System (INIS)

Finnemore, D.K.; Xu, M.; Kouzoudis, D.; Bloomer, T.; Kramer, M.J.; McKernan, S.; Balachandran, U.; Haldar, P.

1996-01-01

In the growth of Bi 2 Sr 2 Ca 2 Cu 3 O 10+δ from mixed powders of Pb-doped Bi 2 Sr 2 Ca 1 Cu 2 O 8+δ and other oxides, it has been discovered that a dense array of hillocks or mesas grow at the interface between a Ag overlay and Pb-doped Bi 2 Sr 2 Ca 1 Cu 2 O 8+δ grains during the ramp up to the reaction temperature. As viewed in an environmental scanning electron microscope, the Ag coated grains develop a texture that looks like open-quote open-quote chicken pox close-quote close-quote growing on the grains at about 700 degree C. These hillocks are about 100 nm across and are spaced at about 500 to 1000 nm. If there is no Ag, this texture does not develop. Preliminary measurements indicate that the hillocks are a recrystallization of (Bi,Pb) 2 Sr 2 Ca 1 Cu 2 O 8+δ , and are definitely not a Pb rich phase. copyright 1996 American Institute of Physics

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

Room temperature ferromagnetism in a phthalocyanine based carbon material

International Nuclear Information System (INIS)

Honda, Z.; Sato, K.; Sakai, M.; Fukuda, T.; Kamata, N.; Hagiwara, M.; Kida, T.

2014-01-01

We report on a simple method to fabricate a magnetic carbon material that contains nitrogen-coordinated transition metals and has a large magnetic moment. Highly chlorinated iron phthalocyanine was used as building blocks and potassium as a coupling reagent to uniformly disperse nitrogen-coordinated iron atoms on the phthalocyanine based carbon material. The iron phthalocyanine based carbon material exhibits ferromagnetic properties at room temperature and the ferromagnetic phase transition occurs at T c  = 490 ± 10 K. Transmission electron microscopy observation, X-ray diffraction analysis, and the temperature dependence of magnetization suggest that the phthalocyanine molecules form three-dimensional random networks in the iron phthalocyanine based carbon material

Room temperature ferromagnetism in a phthalocyanine based carbon material

Energy Technology Data Exchange (ETDEWEB)

Honda, Z., E-mail: honda@fms.saitama-u.ac.jp; Sato, K.; Sakai, M.; Fukuda, T.; Kamata, N. [Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama 338-8570 (Japan); Hagiwara, M.; Kida, T. [KYOKUGEN (Center for Quantum Science and Technology under Extreme Conditions), Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531 (Japan)

2014-02-07

We report on a simple method to fabricate a magnetic carbon material that contains nitrogen-coordinated transition metals and has a large magnetic moment. Highly chlorinated iron phthalocyanine was used as building blocks and potassium as a coupling reagent to uniformly disperse nitrogen-coordinated iron atoms on the phthalocyanine based carbon material. The iron phthalocyanine based carbon material exhibits ferromagnetic properties at room temperature and the ferromagnetic phase transition occurs at T{sub c} = 490 ± 10 K. Transmission electron microscopy observation, X-ray diffraction analysis, and the temperature dependence of magnetization suggest that the phthalocyanine molecules form three-dimensional random networks in the iron phthalocyanine based carbon material.

High critical currents in heavily doped (Gd,Y)Ba2Cu3Ox superconductor tapes

International Nuclear Information System (INIS)

Selvamanickam, V.; Gharahcheshmeh, M. Heydari; Xu, A.; Galstyan, E.; Delgado, L.; Cantoni, C.

2015-01-01

REBa 2 Cu 3 O x ((REBCO), RE = rare earth) superconductor tapes with moderate levels of dopants have been optimized for high critical current density in low magnetic fields at 77 K, but they do not exhibit exemplary performance in conditions of interest for practical applications, i.e., temperatures less than 50 K and fields of 2–30 T. Heavy doping of REBCO tapes has been avoided by researchers thus far due to deterioration in properties. Here, we report achievement of critical current densities (J c ) above 20 MA/cm 2 at 30 K, 3 T in heavily doped (25 mol. % Zr-added) (Gd,Y)Ba 2 Cu 3 O x superconductor tapes, which is more than three times higher than the J c typically obtained in moderately doped tapes. Pinning force levels above 1000 GN/m 3 have also been attained at 20 K. A composition map of lift factor in J c (ratio of J c at 30 K, 3 T to the J c at 77 K, 0 T) has been developed which reveals the optimum film composition to obtain lift factors above six, which is thrice the typical value. A highly c-axis aligned BaZrO 3 (BZO) nanocolumn defect density of nearly 7 × 10 11  cm −2 as well as 2–3 nm sized particles rich in Cu and Zr have been found in the high J c films

Physical properties of Cu nanoparticles: A molecular dynamics study

International Nuclear Information System (INIS)

Kart, H.H.; Yildirim, H.; Ozdemir Kart, S.; Çağin, T.

2014-01-01

Thermodynamical, structural and dynamical properties of Cu nanoparticles are investigated by using Molecular Dynamics (MD) simulations at various temperatures. In this work, MD simulations of the Cu-nanoparticles are performed by means of the MPiSiM codes by utilizing from Quantum Sutton-Chen (Q-SC) many-body force potential to define the interactions between the Cu atoms. The diameters of the copper nanoparticles are varied from 2 nm to 10 nm. MD simulations of Cu nanoparticles are carried out at low and high temperatures to study solid and liquid properties of Cu nanoparticles. Simulation results such as melting point, radial distribution function are compared with the available experimental bulk results. Radial distribution function, mean square displacement, diffusion coefficient, Lindemann index and Honeycutt–Andersen index are also calculated for estimating the melting point of the Copper nanoparticles. - Highlights: • Solid and liquid properties of Cu nanoparticles are studied. • Molecular dynamics utilizing the Quantum Sutton Chen potential is used in this work. • Melting temperatures of nanoparticles are strongly depended on nanoparticle sizes. • Heat capacity, radial distribution function and diffusion coefficients are studied. • Structures of nanoparticles are analyzed by Lindemann and Honeycutt–Andersen index

Energy-level alignment at interfaces between manganese phthalocyanine and C60

Directory of Open Access Journals (Sweden)

Daniel Waas

2017-04-01

Full Text Available We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs is rather small.

The n-type conduction of indium-doped Cu{sub 2}O thin films fabricated by direct current magnetron co-sputtering

Energy Technology Data Exchange (ETDEWEB)

Cai, Xing-Min; Su, Xiao-Qiang; Ye, Fan, E-mail: yefan@szu.edu.cn; Wang, Huan; Tian, Xiao-Qing; Zhang, Dong-Ping; Fan, Ping; Luo, Jing-Ting; Zheng, Zhuang-Hao; Liang, Guang-Xing [Institute of Thin Film Physics and Applications, School of Physical Science and Technology and Shenzhen Key Laboratory of Sensor Technology, Shenzhen University, Shenzhen 518060 (China); Roy, V. A. L. [Center of Super-Diamond and Advanced Films (COSDAF) and Department of Physics and Materials Science, City University of Hong Kong, Kowloon Tong, Hong Kong (China)

2015-08-24

Indium-doped Cu{sub 2}O thin films were fabricated on K9 glass substrates by direct current magnetron co-sputtering in an atmosphere of Ar and O{sub 2}. Metallic copper and indium disks were used as the targets. X-ray diffraction showed that the diffraction peaks could only be indexed to simple cubic Cu{sub 2}O, with no other phases detected. Indium atoms exist as In{sup 3+} in Cu{sub 2}O. Ultraviolet-visible spectroscopy showed that the transmittance of the samples was relatively high and that indium doping increased the optical band gaps. The Hall effect measurement showed that the samples were n-type semiconductors at room temperature. The Seebeck effect test showed that the films were n-type semiconductors near or over room temperature (<400 K), changing to p-type at relatively high temperatures. The conduction by the samples in the temperature range of the n-type was due to thermal band conduction and the donor energy level was estimated to be 620.2–713.8 meV below the conduction band. The theoretical calculation showed that indium doping can raise the Fermi energy level of Cu{sub 2}O and, therefore, lead to n-type conduction.

3d-metal doping (Fe,Co,Ni,Zn) of the high Tc perovskite YBa2Cu3O(7-y)

International Nuclear Information System (INIS)

Tarascon, J.M.; Barboux, P.; Greene, L.H.; Hull, G.W.; Bagley, B.G.

1988-01-01

The structural, magnetic and superconducting properties of the mixed compounds YBa 2 Cu(3-x)M(x)O(7-y) (M = Ni,Zn,Fe, and Co) are reported. Values of y, determined by titration, are found to be dependent on the nature and amount of the doping. The range of solubility is greater for the Fe and Co compounds (x = 1) than for those with Ni or Zn (x = 0.3). The undoped material is orthorhombic and remains orthorhombic after substitution for Cu by Ni or Zn, whereas a tetragonal phase is observed when Fe, Co are substituted for Cu. DC resistance and AC susceptibility measurements show that Tc is depressed from 90K (x = 0) to 45K (x = 0.2) for both the Ni- and Zn-doped compounds, and Tc is destroyed in the Fe- and Co-doped compounds when x reaches 0.4. It is suggested that a valence of two be assigned to the Ni and Zn and three to the Fe and Co ions. 8 references

Nonvolatile organic write-once-read-many-times memory devices based on hexadecafluoro-copper-phthalocyanine

Science.gov (United States)

Wang, Lidan; Su, Zisheng; Wang, Cheng

2012-05-01

Nonvolatile organic write-once-read-many-times memory device was demonstrated based on hexadecafluoro-copper-phthalocyanine (F16CuPc) single layer sandwiched between indium tin oxide (ITO) anode and Al cathode. The as fabricated device remains in ON state and it can be tuned to OFF state by applying a reverse bias. The ON/OFF current ratio of the device can reach up to 2.3 × 103. Simultaneously, the device shows long-term storage stability and long retention time in air. The ON/OFF transition is attributed to the formation and destruction of the interfacial dipole layer in the ITO/F16CuPc interface, and such a mechanism is different from previously reported ones.

Effect of Cu Doping on the Structural and Electrochemical Performance of LiNi1/3Co1/3Mn1/3O2 Cathode Materials

Science.gov (United States)

Yang, Li; Ren, Fengzhagn; Feng, Qigao; Xu, Guangri; Li, Xiaobo; Li, Yuanchao; Zhao, Erqing; Ma, Jignjign; Fan, Shumin

2018-04-01

The structural and electrochemical performance of Cu-doped, Li[Ni1/3-xCo1/3 Mn1/3Cux]O2 (x = 0-0.1) cathode materials obtained by means of the sol-gel method are discussed; we used critic acid as gels and spent mixed batteries as the raw materials. The effects of the sintering time, sintering temperature, and Cu doping ratio on the phase structure, morphology, and element composition and the behavior in a galvanostatical charge/discharge test have been systemically studied. The results show that the Cu-doped material exhibits better galvanostatic charge/discharge cycling performance. At 0.2 C, its original discharge specific capacity is 180.4 mAh g-1 and its Coulomb efficiency is 90.3%. The Cu-doped material demonstrate an outstanding specific capacity at 0.2 C, 0.5 C, and 2.0 C. In comparison with the original capacities of 178 mAh g-1, 159.5 mAh g-1, and 119.4 mAh g-1, the discharge capacity after 50 cycles is 160.8 mAh g-1, 143.4 mAh g-1, and 90.1 mAh g-1, respectively. This obvious improvement relative to bare Li[Ni1/3Co1/3Mn1/3]O2 cathode materials arises from an enlarged Li layer spacing and a reduced degree of cation mixing. Therefore, Cu-doped cathode materials have obvious advantages in the field of lithium-ion batteries and their applications.

Copper doped borate dosimeters revisited

International Nuclear Information System (INIS)

Alajerami, Y.S.M.; Hashim, S.; Ghoshal, S.K.; Bradley, D.A.; Mhareb, M.; Saleh, M.A.

2014-01-01

We render a panoramic overview on copper (Cu) doped borate dosimeters. Preparing a dosimeter by mixing specific materials with precise weights and methods is a never-ending quest. The recommended composition is highly decisive for accurate estimation of the absorbed dose, prediction of the biological outcome, determination of the treatment dose for radiation therapy and facilitation of personal monitoring. Based on these principles, the proposed dosimeter must cover a series of dosimetric properties to realize the exact results and assessment. The doped borate dosimeters indeed demonstrate attractive thermoluminescence (TL) features. Several dedicated efforts are attempted to improve the luminescence properties by doping various transition metals or rare-earth elements. The Cu ion being one of the preferred activators shows excellent TL properties as revealed via detail comparison with other dosimeters. Two oxide states of Cu (Cu + and Cu ++ ) with reasonable atomic number allow easy interaction with boron network. Interestingly, the intrinsic luminescent centers of borate lattice are in cross linked with that of Cu + ions. Thus, the activation of borate dosimeter with Cu ions for the enhancement of the TL sensitivity is recognized. These dosimeters reveal similar glow curves as the standard TLD-100 (LiF:Mg,Ti) one irrespective of the use of modifiers and synthesis techniques. They display high sensitivity, low fading, dose response linearity over wide range and practical minimum detectable dose. Furthermore, the effective atomic number being the most beneficial aspect (equivalent to that of human tissue) of borate dosimeters do not show any change due to Cu ion activations. The past development, major challenges, excitement, applications, recent progress and the future promises of Cu doped borate TL dosimeters are highlighted. - Highlights: • The manuscript gives a panoramic overview on copper doped borate dosimeters. • Cu ions activated technique in borate

Enhanced photovoltaic performance of quantum dot-sensitized solar cells with a progressive reduction of recombination using Cu-doped CdS quantum dots

Science.gov (United States)

Muthalif, Mohammed Panthakkal Abdul; Lee, Young-Seok; Sunesh, Chozhidakath Damodharan; Kim, Hee-Je; Choe, Youngson

2017-02-01

In this article, we have systematically probed the effect of Cu-doping in CdS quantum dots (QDs) to enhance the photovoltaic performance of the quantum dot-sensitized solar cells (QDSSCs). The Cu-doped CdS photoanodes were prepared by successive ionic layer adsorption and reaction (SILAR) method and the corresponding cell devices were fabricated using CuS counter electrodes with a polysulfide electrolyte. The photovoltaic performance results demonstrate that 3 mM Cu-doped CdS QDs based QDSSCs exhibit the efficiency (η) of 3% including JSC = 9.40 mA cm-2, VOC = 0.637 V, FF = 0.501, which are higher than those with bare CdS (η = 2.05%, JSC = 7.12 mA cm-2, VOC = 0.588 V, FF = 0.489). The structural, topographical and optical properties of the thin films have been studied with the help of X-ray diffraction pattern (XRD), atomic force microscopy (AFM) and UV-vis spectrophotometer. Electrochemical impedance spectroscopy (EIS) and open circuit voltage decay (OCVD) measurements indicate that Cu-dopant can inhibit the charge recombination at the photoanode/electrolyte interface and extend the lifetime of electrons. These results reveal that incorporation of copper metal in CdS QDs is a simple and effective method to improve the photovoltaic properties of QDSSCs.

Crystal chemical substitutions and doping of YBa2Cu3Ox and related superconductors

International Nuclear Information System (INIS)

Skakle, J.M.S.

1998-01-01

This review covers the literature on cationic and anionic substitutions and their effect on the properties of YBCO. Reported solubility limits are given, together with crystal symmetry and trends in unit cell parameters with dopant concentration. The dopant site is considered; this is additionally complex in the case of copper substitution because of the two distinct copper sites in the crystal structure. The effect of the dopant on the critical temperature, T c , is reviewed; the literature is often contradictory due to the dual effects of variable oxygen content and the nature of the dopant. Preparation methods appear to have an effect on solubility limits, crystal symmetry and T c . Also, the methods used to determine solubility limits are often imprecise which can lead to contradictions. The magnetic properties of doped materials are reviewed; for some dopants, particularly the magnetic lanthanides, antiferromagnetism and superconductivity co-exist. The related RBa 2 Cu 3 O δ phases (R=lanthanide), their structure, properties and behaviour on doping are reviewed in a similar way. For the larger rare earths, the related systems R 1+x Ba 2-x Cu 3 O δ are reviewed; as x increases, the transition temperature decreases and compositions R 1.5 Ba 1.5 Cu 3 O δ are semiconducting. The upper and lower solubility limit changes with R, and for R=Dy, the upper limit is 2 Cu 3 O δ , cannot be prepared in air since substitution of La onto the Ba site occurs, forming the Ba-deficient solid solutions. (orig.)

Role of dopant concentration, crystal phase and particle size on microbial inactivation of Cu-doped TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Sahu, Manoranjan; Wu Bing; Zhu Liying; Jacobson, Craig; Wang Weining; Jones, Kristen; Goyal, Yogesh; Tang, Yinjie J; Biswas, Pratim, E-mail: pbiswas@wustl.edu [Department of Energy, Environmental and Chemical Engineering, Washington University in St Louis, St Louis, MO 63130 (United States)

2011-10-14

The properties of Cu-doped TiO{sub 2} nanoparticles (NPs) were independently controlled in a flame aerosol reactor by varying the molar feed ratios of the precursors, and by optimizing temperature and time history in the flame. The effect of the physico-chemical properties (dopant concentration, crystal phase and particle size) of Cu-doped TiO{sub 2} nanoparticles on inactivation of Mycobacterium smegmatis (a model pathogenic bacterium) was investigated under three light conditions (complete dark, fluorescent light and UV light). The survival rate of M. smegmatis (in a minimal salt medium for 2 h) exposed to the NPs varied depending on the light irradiation conditions as well as the dopant concentrations. In dark conditions, pristine TiO{sub 2} showed insignificant microbial inactivation, but inactivation increased with increasing dopant concentration. Under fluorescent light illumination, no significant effect was observed for TiO{sub 2}. However, when TiO{sub 2} was doped with copper, inactivation increased with dopant concentration, reaching more than 90% (>3 wt% dopant). Enhanced microbial inactivation by TiO{sub 2} NPs was observed only under UV light. When TiO{sub 2} NPs were doped with copper, their inactivation potential was promoted and the UV-resistant cells were reduced by over 99%. In addition, the microbial inactivation potential of NPs was also crystal-phase-and size-dependent under all three light conditions. A lower ratio of anatase phase and smaller sizes of Cu-doped TiO{sub 2} NPs resulted in decreased bacterial survival. The increased inactivation potential of doped TiO{sub 2} NPs is possibly due to both enhanced photocatalytic reactions and leached copper ions.

Conductivity enhancement of ion tracks in tetrahedral amorphous carbon by doping with N, B, Cu and Fe

International Nuclear Information System (INIS)

Krauser, J.; Nix, A.-K.; Gehrke, H.-G.; Hofsäss, H.; Trautmann, C.; Weidinger, A.

2012-01-01

Conducting ion tracks are formed when high-energy heavy ions (e.g. 1 GeV Au) pass through tetrahedral amorphous carbon (ta-C). These nanowires with a diameter of about 8 nm are embedded in the insulating ta-C matrix and of interest for various nanotechnological applications. Usually the overall conductivity of the tracks and the current/voltage characteristics (Ohmic or non-Ohmic) vary strongly from track to track, even when measured on the same sample, indicating that the track formation is neither complete nor homogeneous. To improve the track conductivity, doping of ta-C with N, B, Cu, or Fe is investigated. Beneficial changes in track conductivity after doping compete with a conductivity increase of the surrounding matrix material. Best results are achieved by incorporation of 1 at.% Cu, while for different reasons, the improvement of the tracks remains moderate for N, B, and Fe doping. Conductivity enhancement of the tracks is assumed to develop during the ion track formation process by an increased number of localized states which contribute to the current transport.

Room temperature ferromagnetism and gas sensing in ZnO nanostructures: Influence of intrinsic defects and Mn, Co, Cu doping

Energy Technology Data Exchange (ETDEWEB)

Mhlongo, Gugu H., E-mail: gmhlongo@csir.co.za [DST/CSIR National Centre for Nanostructured Materials, Council for Scientific and Industrial Research, Pretoria 0001 (South Africa); Shingange, Katekani; Tshabalala, Zamaswazi P.; Dhonge, Baban P. [DST/CSIR National Centre for Nanostructured Materials, Council for Scientific and Industrial Research, Pretoria 0001 (South Africa); Mahmoud, Fawzy A. [Solid State Physics Dept., National Research Centre, P.O. 12622, Dokki, Giza (Egypt); Mwakikunga, Bonex W.; Motaung, David E. [DST/CSIR National Centre for Nanostructured Materials, Council for Scientific and Industrial Research, Pretoria 0001 (South Africa)

2016-12-30

Highlights: • Preparation of Mn, Co, Cu doped ZnO via microwave-assisted method. • Doping alters the morphology of ZnO nanostructures. • Concentration of zinc and oxygen related defects vary with doping. • Correlation between PL and EPR was established. • Both undoped and doped ZnO nanostructures showed selectivity towards NH{sub 3}. - Abstract: Undoped and transition metal (Cu, Co and Mn) doped ZnO nanostructures were successfully prepared via a microwave-assisted hydrothermal method followed by annealing at 500 °C. Numerous characterization facilities such as X-ray powder diffraction (XRD), field emission scanning electron microscopy (FESEM), and high-resolution transmission electron microscopy (HRTEM) were employed to acquire the structural and morphological information of the prepared ZnO based products. Combination of defect structure analysis based on photoluminescence (PL) and electron paramagnetic resonance (EPR) indicated that co-existing oxygen vacancies (V{sub O}) and zinc interstitials (Zn{sub i}) defects are responsible for the observed ferromagnetism in undoped and transition metal (TM) doped ZnO systems. PL analysis demonstrated that undoped ZnO has more donor defects (V{sub O} and Zn{sub i}) which are beneficial for gas response enhancement. Undoped ZnO based sensor exhibited a higher sensor response to NH{sub 3} gas compared to its counterparts owing to high content of donor defects while transition metal doped sensors showed short response and recovery times compared to undoped ZnO.

Electrodeposition of zinc oxide/tetrasulfonated copper phthalocyanine hybrid thin film for dye-sensitized solar cell application

International Nuclear Information System (INIS)

Luo Xinze; Xu Lin; Xu Bingbing; Li Fengyan

2011-01-01

Hybrid film of zinc oxide (ZnO) and tetrasulfonated copper phthalocyanine (TSPcCu) was grown on an indium tin oxide (ITO) glass by one-step cathodic electrodeposition from aqueous mixtures of Zn(NO 3 ) 2 , TSPcCu and KCl. The addition of TSPcCu strongly influences the morphology and crystallographic orientation of the ZnO. The nanosheets stack of ZnO leads to a porous surface structure which is advantageous to further adsorb organic dyes. The photovoltaic properties were investigated by assembling the DSSC device based on both the only ZnO film and the ZnO/TSPcCu hybrid films. Photoelectrochemical analysis revealed that the optimized DSSC device with TSPcCu represented a more than three-fold improvement in power conversion efficiency than the device without TSPcCu. The DSSC based on ZnO/TSPcCu hybrid films demonstrates an open circuit voltage of 0.308 V, a short circuit current of 90 μA cm -2 , a fill factor of 0.26, and a power conversion efficiency of 0.14%.

Electrodeposition of zinc oxide/tetrasulfonated copper phthalocyanine hybrid thin film for dye-sensitized solar cell application

Energy Technology Data Exchange (ETDEWEB)

Luo Xinze [Key Laboratory of Polyoxometalates Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun 130024 (China); College of Chemistry and Biological Science, Yili Normal University, Yining 835000, (China); Xu Lin, E-mail: linxu@nenu.edu.cn [Key Laboratory of Polyoxometalates Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun 130024 (China); Xu Bingbing; Li Fengyan [Key Laboratory of Polyoxometalates Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun 130024 (China)

2011-05-15

Hybrid film of zinc oxide (ZnO) and tetrasulfonated copper phthalocyanine (TSPcCu) was grown on an indium tin oxide (ITO) glass by one-step cathodic electrodeposition from aqueous mixtures of Zn(NO{sub 3}){sub 2}, TSPcCu and KCl. The addition of TSPcCu strongly influences the morphology and crystallographic orientation of the ZnO. The nanosheets stack of ZnO leads to a porous surface structure which is advantageous to further adsorb organic dyes. The photovoltaic properties were investigated by assembling the DSSC device based on both the only ZnO film and the ZnO/TSPcCu hybrid films. Photoelectrochemical analysis revealed that the optimized DSSC device with TSPcCu represented a more than three-fold improvement in power conversion efficiency than the device without TSPcCu. The DSSC based on ZnO/TSPcCu hybrid films demonstrates an open circuit voltage of 0.308 V, a short circuit current of 90 {mu}A cm{sup -2}, a fill factor of 0.26, and a power conversion efficiency of 0.14%.

Improved current transport properties of post annealed Y1Ba2Cu3O7-x thin films using Ag doping

DEFF Research Database (Denmark)

Clausen, Thomas; Skov, Johannes; Jacobsen, Claus Schelde

1996-01-01

The influence of Ag doping on the transport properties of Y1Ba2Cu3O7–x thin films prepared by Y, BaF2, and Cu co-evaporation and optimized ex situ post annealing has been investigated. Both undoped and Ag doped films have values of Tc above 90 K, but Jc (77 K) is highly dependent on the nominal...... thickness (tnom) of the as-deposited film. For undoped films with tnom>106 A/cm2) decreases monotonically with increasing film thickness. Above 300 nm Jc (77 K) decreases rapidly to values below 5×105 A/cm2. Ag doped films with tnom>=200 nm have higher Jc (77 K) values than those of undoped films. Ag doped...... films have a maximum in Jc (77 K) around 250 nm. As for the undoped films, there is a large decrease in Jc (77 K) for Ag doped films with tnom>=300 nm. It was found that the higher values of Jc (77 K) for the Ag doped films were due to a better epitaxial growth of the YBCO compound. The low values of Jc...

CuO nanoparticles supported on nitrogen and sulfur co-doped graphene nanocomposites for non-enzymatic glucose sensing

Energy Technology Data Exchange (ETDEWEB)

Li, Meixia [Hebei University of Engineering, Faculty of Material Science and Engineering (China); Guo, Qingbin, E-mail: guoqingbinhue@163.com [Hebei University of Engineering, Academic Affairs office (China); Xie, Juan; Li, Yongde; Feng, Yapeng [Hebei University of Engineering, Faculty of Material Science and Engineering (China)

2017-01-15

Developing highly active catalysts to promote the electrocatalytic glucose oxidation (EGO) is a crucial demand for non-enzymatic glucose sensing. Herein, we reported the use of nitrogen and sulfur co-doped graphene (NSG) as a novel support material for anchoring CuO nanoparticles and obtained CuO/NSG was employed as an efficient EGO catalyst for non-enzymatic glucose sensing. The results showed that the NSG endowed the CuO/NSG with large surface area, increased structural defects, improved conductivity, and strong covalent coupling between NSG and CuO. Owing to the significant contribution of NSG and the synergistic effect of NSG and CuO, the CuO/NSG exhibited a remarkably higher EGO activity than CuO and CuO/reduced graphene oxide. The CuO/NSG-based sensor displayed excellent glucose sensing performances with a considerably low detection limit of 0.07 μM. These findings elucidate that the NSG is a promising support material for non-enzymatic glucose detection.

Passivation of Molecular n-Doping: Exploring the Limits of Air Stability

KAUST Repository

Tietze, Max Lutz; Rose, Bradley Daniel; Schwarze, Martin; Fischer, Axel; Runge, Steffen; Blochwitz-Nimoth, Jan; Lü ssem, Bjö rn; Leo, Karl; Bredas, Jean-Luc

2016-01-01

© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Molecular doping is a key technique for flexible and low-cost organic complementary semiconductor technologies that requires both efficient and stable p- and n-type doping. However, in contrast to molecular p-dopants, highly efficient n-type dopants are commonly sensitive to rapid degradation in air due to their low ionization energies (IEs) required for electron donation, e.g., IE = 2.4 eV for tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)ditungsten(II) (W2(hpp)4). Here, the air stability of various host:W2(hpp)4 combinations is compared by conductivity measurements and photoemission spectroscopy. A partial passivation of the n-doping against degradation is found, with this effect identified to depend on the specific energy levels of the host material. Since host-W2(hpp)4 electronic wavefunction hybridization is unlikely due to confinement of the dopant highest occupied molecular orbital (HOMO) to its molecular center, this finding is explained via stabilization of the dopant by single-electron transfer to a host material whose energy levels are sufficiently low for avoiding further charge transfer to oxygen-water complexes. Our results show the feasibility of temporarily handling n-doped organic thin films in air, e.g., during structuring of organic field effect transistors (OFETs) by lithography.

Passivation of Molecular n-Doping: Exploring the Limits of Air Stability

KAUST Repository

Tietze, Max Lutz

2016-03-03

© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Molecular doping is a key technique for flexible and low-cost organic complementary semiconductor technologies that requires both efficient and stable p- and n-type doping. However, in contrast to molecular p-dopants, highly efficient n-type dopants are commonly sensitive to rapid degradation in air due to their low ionization energies (IEs) required for electron donation, e.g., IE = 2.4 eV for tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)ditungsten(II) (W2(hpp)4). Here, the air stability of various host:W2(hpp)4 combinations is compared by conductivity measurements and photoemission spectroscopy. A partial passivation of the n-doping against degradation is found, with this effect identified to depend on the specific energy levels of the host material. Since host-W2(hpp)4 electronic wavefunction hybridization is unlikely due to confinement of the dopant highest occupied molecular orbital (HOMO) to its molecular center, this finding is explained via stabilization of the dopant by single-electron transfer to a host material whose energy levels are sufficiently low for avoiding further charge transfer to oxygen-water complexes. Our results show the feasibility of temporarily handling n-doped organic thin films in air, e.g., during structuring of organic field effect transistors (OFETs) by lithography.

Dependence of critical current properties on growth temperature and doping level of nanorods in PLD-YBa2Cu3Oy films

International Nuclear Information System (INIS)

Fujita, N.; Haruta, M.; Ichinose, A.; Maeda, T.; Horii, S.

2013-01-01

Highlights: •We fabricated Y123 films with Ba–Nb–O nanorods at various growth temperatures. •Irreversibility lines depended on growth temperature and doping level of Ba–Nb–O. •Nanorod morphology was drastically changed by growth temperature (T s ). •Its T s dependence of the matching field was different from that for Er123 + Ba–Nb–O. -- Abstract: The vortex-Bose-glass-like irreversibility lines (ILs) emerged for 2.5 and 5.0 at.% Ba–Nb–O (BNO)-doped YBa 2 Cu 3 O y films deposited by PLD using Nd:YAG-laser. The ILs strongly depended on growth temperature (T s ) in addition to the doping level of BNO. The vortex glass region was expanded with increasing T s or doping level of BNO. Drastic change of the nanorod morphology from short and bended nanorods to long and linear nanorods with increasing T s was clarified. Moreover, it was found that T s -dependent ILs were quite different from our previous results in BNO-doped ErBa 2 Cu 3 O y films

Hexacoordinate bonding and aromaticity in silicon phthalocyanine.

Science.gov (United States)

Yang, Yang

2010-12-23

Si-E bondings in hexacoordinate silicon phthalocyanine were analyzed using bond order (BO), energy partition, atoms in molecules (AIM), electron localization function (ELF), and localized orbital locator (LOL). Bond models were proposed to explain differences between hexacoordinate and tetracoordinate Si-E bondings. Aromaticity of silicon phthalocyanine was investigated using nucleus-independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), conceptual density functional theory (DFT), ring critical point (RCP) descriptors, and delocalization index (DI). Structure, energy, bonding, and aromaticity of tetracoordinate silicon phthalocyanine were studied and compared with hexacoordinate one.

Ultrafast one-step combustion synthesis and thermoelectric properties of In-doped Cu{sub 2}SnSe{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Li, Yuyang [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); University of Chinese Academy of Sciences, Beijing, 100049 (China); Liu, Guanghua, E-mail: liugh02@163.com [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); Li, Jiangtao, E-mail: lijiangtao@mail.ipc.ac.cn [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China); Chen, Kexin [State Key Laboratory of New Ceramics & Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China); He, Gang; Yang, Zengchao; Han, Yemao; Zhou, Min; Li, Laifeng [Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 (China)

2016-07-01

Bulk In-doped Cu{sub 2}SnSe{sub 3} samples were prepared by a fast and one-step method of high-gravity combustion synthesis. All the synthesized samples were dense with relative densities of >98%. The influence of Indium-doping on the phase composition of the samples was investigated. SEM and EDS measurements confirm the existence of SnSe and Cu{sub 2}Se as secondary phase in the Cu{sub 2}Sn{sub 1−x}In{sub x}Se{sub 3} samples. In addition, the experimental results show that there is a solubility limit of indium in the Cu{sub 2}SnSe{sub 3} matrix. The thermoelectric properties of the samples were measured in a temperature range from 323 K to 773 K, and the Cu{sub 2}Sn{sub 0.8}In{sub 0.2}Se{sub 3} sample achieved a maximum ZT of 0.65 at 773 K, which was comparable with the best-reported result for Cu{sub 2}SnSe{sub 3} materials prepared by conventional sintering approaches. With much reduced time and energy consumption, high-gravity combustion synthesis may offer a more efficient and economical way for producing thermoelectric materials. - Highlights: • Dense bulk Cu{sub 2}SnSe{sub 3} materials are prepared by one-step combustion synthesis. • The solubility limit of Indium into the Cu{sub 2}SnSe{sub 3} matrix has been discussed. • A maximum ZT of 0.65 is obtained for the Cu{sub 2}Sn{sub 1−x}In{sub x}Se{sub 3} (x = 0.2) at 773 K.

Preparation and structural, optical, magnetic, and electrical characterization of Mn{sup 2+}/Co{sup 2+}/Cu{sup 2+} doped hematite nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Srikrishna Ramya, S.I., E-mail: ramyaskr@gmail.com; Mahadevan, C.K.

2014-03-15

Pure and Mn{sup 2+} / Co{sup 2+} / Cu{sup 2+} doped (1 and 2 at.%) spherical hematite (α-Fe{sub 2}O{sub 3})nanocrystals have been synthesized by a simple solvothermal method using a domestic microwave oven. XRD measurements confirm that all the seven nanocrystals prepared consist of nanocrystalline hematite phase without any other phases. The energy dispersive X-ray and Fourier transform infrared spectral analyses confirm the phase purity of the nanocrystals prepared. TEM analysis shows the average particle sizes within the range 33–51 nm. Optical absorption measurements indicate that all the three dopants enhance the optical transmittance and reflectance. A red shift is observed in the bandgap energy values estimated from optical absorption and reflectance spectra. Results of magnetic measurements made at room temperature using a vibrating sample magnetometer indicate significant changes in the magnetic properties (coercivity, retentivity and saturationmagnetization) due to doping. Results of magnetic measurements indicate significant changes in the magnetic properties. Results of AC electrical measurements made at various temperatures in the range 40–130 °C and frequencies in the range 100 Hz –1 MHz indicate low dielectric constants and AC electrical conductivities and consequently show the occurrence of nanoconfined states. -- Graphical abstract: The indexed X-ray diffraction (XRD) patterns of all the seven nanocrystals indicate the rhombohedral structure of hematite (JCPDS card No.13-0534). No impurity phase like oxides of Mn or Co or Cu was detected above equipment limit. The average crystallite (grain) sizes estimated using the Scherrer's formula. Highlights: • Pure and Mn/Co/Cu-doped hematite nanocrystals have been prepared. • The method adopted for the preparation is simple, economical and scalable. • Prepared nanocrystals are spherical in shape with good crystallinity and phase purity. • Mn/Co/Cu-doping enhances the optical

Low-temperature thermoelectric properties of Pb doped Cu2SnSe3

Science.gov (United States)

Prasad K, Shyam; Rao, Ashok; Gahtori, Bhasker; Bathula, Sivaiah; Dhar, Ajay; Chang, Chia-Chi; Kuo, Yung-Kang

2017-09-01

A series of Cu2Sn1-xPbxSe3 (0 ≤ x ≤ 0.04) compounds was prepared by solid state synthesis technique. The electrical resistivity (ρ) decreased with increase in Pb content up to x = 0.01, thereafter it increased with further increase in x (till x = 0.03). However, the lowest value of electrical resistivity is observed for Cu2Sn0.96Pb0.04Se3. Analysis of electrical resistivity of all the samples suggests that small poloron hoping model is operative in the high temperature regime while variable range hopping is effective in the low temperature regime. The positive Seebeck coefficient (S) for pristine and doped samples in the entire temperature range indicates that the majority charge carriers are holes. The electronic thermal conductivity (κe) of the Cu2Sn1-xPbxSe3 compounds was estimated by the Wiedemann-Franz law and found that the contribution from κe is less than 1% of the total thermal conductivity (κ). The highest ZT 0.013 was achieved at 400 K for the sample Cu2Sn0.98Pb0.02Se3, about 30% enhancement as compared to the pristine sample.

Photoinduced electron transfer between benzyloxy dendrimer phthalocyanine and benzoquinone

Science.gov (United States)

Zhang, Tiantian; Ma, Dongdong; Pan, Sujuan; Wu, Shijun; Jiang, Yufeng; Zeng, Di; Yang, Hongqin; Peng, Yiru

2016-10-01

Photo-induced electron transfer (PET) is an important and fundamental process in natural photosynthesis. To mimic such interesting PET process, a suitable donor and acceptor couple were properly chosen. Dendrimer phthalocyanines and their derivatives have emerged as promising materials for artificial photosynthesis systems. In this paper, the electron transfer between the light harvest dendrimer phthalocyanine (donor) and the 1,4-benzoquinone (acceptor) was studied by UV/Vis and fluorescence spectroscopic methods. It was found that fluorescence of phthalocyanine was quenched by benzoquinone (BQ) via excited state electron transfer, from the phthalocyanine to the BQ upon excitation at 610 nm. The Stern-Volmer constant (KSV) of electron transfer was calculated. Our study suggests that this dendritic phthalocyanine is an effective new electron donor and transmission complex and could be used as a potential artificial photosynthesis system.

Cu2+ Dual-Doped Layer-Tunnel Hybrid Na0.6Mn1- xCu xO2 as a Cathode of Sodium-Ion Battery with Enhanced Structure Stability, Electrochemical Property, and Air Stability.

Science.gov (United States)

Chen, Ting-Ru; Sheng, Tian; Wu, Zhen-Guo; Li, Jun-Tao; Wang, En-Hui; Wu, Chun-Jin; Li, Hong-Tai; Guo, Xiao-Dong; Zhong, Ben-He; Huang, Ling; Sun, Shi-Gang

2018-03-28

Sodium-ion batteries (SIBs) have been regarded as a promising candidate for large-scale renewable energy storage system. Layered manganese oxide cathode possesses the advantages of high energy density, low cost and natural abundance while suffering from limited cycling life and poor rate capacity. To overcome these weaknesses, layer-tunnel hybrid material was developed and served as the cathode of SIB, which integrated high capacity, superior cycle ability, and rate performance. In the current work, the doping of copper was adopted to suppress the Jahn-Teller effect of Mn 3+ and to affect relevant structural parameters. Multifunctions of the Cu 2+ doping were carefully investigated. It was found that the structure component ratio is varied with the Cu 2+ doping amount. Results demonstrated that Na + /vacancy rearrangement and phase transitions were suppressed during cycling without sacrificing the reversible capacity and enhanced electrochemical performances evidenced with 96 mA h g -1 retained after 250 cycles at 4 C and 85 mA h g -1 at 8 C. Furthermore, ex situ X-ray diffraction has demonstrated high reversibility of the Na 0.6 Mn 0.9 Cu 0.1 O 2 cathode during Na + extraction/insertion processes and superior air stability that results in better storage properties. This study reveals that the Cu 2+ doping could be an effective strategy to tune the properties and related performances of Mn-based layer-tunnel hybrid cathode.

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

Nano-Doped Monolithic Materials for Molecular Separation

Directory of Open Access Journals (Sweden)

Caleb Acquah

2017-01-01

Full Text Available Monoliths are continuous adsorbents that can easily be synthesised to possess tuneable meso-/macropores, convective fluid transport, and a plethora of chemistries for ligand immobilisation. They are grouped into three main classes: organic, inorganic, and hybrid, based on their chemical composition. These classes may also be differentiated by their unique morphological and physicochemical properties which are significantly relevant to their specific separation applications. The potential applications of monoliths for molecular separation have created the need to enhance their characteristic properties including mechanical strength, electrical conductivity, and chemical and thermal stability. An effective approach towards monolith enhancement has been the doping and/or hybridization with miniaturized molecular species of desirable functionalities and characteristics. Nanoparticles are usually preferred as dopants due to their high solid phase dispersion features which are associated with improved intermolecular adsorptive interactions. Examples of such nanomaterials include, but are not limited to, carbon-based, silica-based, gold-based, and alumina nanoparticles. The incorporation of these nanoparticles into monoliths via in situ polymerisation and/or post-modification enhances surface adsorption for activation and ligand immobilisation. Herein, insights into the performance enhancement of monoliths as chromatographic supports by nanoparticles doping are presented. In addition, the potential and characteristics of less common nanoparticle materials such as hydroxyapatite, ceria, hafnia, and germania are discussed. The advantages and challenges of nanoparticle doping of monoliths are also discussed.

Fabrication of boron-doped nanocrystalline diamond nanoflowers based on 3D Cu(OH)2 dendritic architectures

International Nuclear Information System (INIS)

Sim, Huijun; Hong, Sukin; Lee, Seungkoo; Lim, Daesoon; Jin, Juneon; Hwang, Sungwoo

2012-01-01

Hot-filament chemical vapor deposition (HFCVD) was used to prepare boron-doped nanocrystalline diamond (BDND) nanoflowers on a Cu substrate with a Cu(OH) 2 dendritic architecture that had been formed by using electrostatic self-assembly (ESA) method with nanodiamond particles. The formation of diamond nanoflowers is controlled by the reaction time between the Cu(OH) 2 nanoflowers and the polymeric linker for the electrostatic attachment of nanodiamonds and by the deposition time for CVD diamond growth with a high nucleation density. Through analysis by field emission scanning electron microscopy (FESEM) and Raman spectroscopy, the optimal conditions for the synthesis of BDND nanoflowers are determined, and a possible explanation is provided.

Ab-initio and atomistic study of the ferroelectric properties of Cu doped potassium niobate

Energy Technology Data Exchange (ETDEWEB)

Koerbel, Sabine; Elsaesser, Christian [Fraunhofer-Institut fuer Werkstoffmechanik IWM, Woehlerstrasse 11, 79108 Freiburg (Germany)

2011-07-01

KNbO{sub 3} is one end member of the solid solution (K,Na)NbO{sub 3} (KNN), which has promising ferroelectric properties to become a future lead-free substitute for lead zirconate titanate Pb(Zr,Ti)O{sub 3} (PZT) in piezoelectric actors and sensors. Both KNN and PZT exhibit a phase transition with composition and a morphotropic phase boundary, at which enhanced piezoelectric coefficients are obtained. The material properties of PZT and KNN are commonly optimized by doping. E.g., CuO can be added when fabricating KNN as a sintering aid. Ab initio density functional theory and atomistic simulation using a classical shell model potential have been combined to investigate low Cu concentrations in the KNbO{sub 3}-CuNbO{sub 3} system. The atomistic model predicts a morphotropic phase boundary at a few percent Cu, analogous to the one found in the LiNbO{sub 3}-KNbO{sub 3} system.

Deep level transient spectroscopic investigation of phosphorus-doped silicon by self-assembled molecular monolayers.

Science.gov (United States)

Gao, Xuejiao; Guan, Bin; Mesli, Abdelmadjid; Chen, Kaixiang; Dan, Yaping

2018-01-09

It is known that self-assembled molecular monolayer doping technique has the advantages of forming ultra-shallow junctions and introducing minimal defects in semiconductors. In this paper, we report however the formation of carbon-related defects in the molecular monolayer-doped silicon as detected by deep-level transient spectroscopy and low-temperature Hall measurements. The molecular monolayer doping process is performed by modifying silicon substrate with phosphorus-containing molecules and annealing at high temperature. The subsequent rapid thermal annealing drives phosphorus dopants along with carbon contaminants into the silicon substrate, resulting in a dramatic decrease of sheet resistance for the intrinsic silicon substrate. Low-temperature Hall measurements and secondary ion mass spectrometry indicate that phosphorus is the only electrically active dopant after the molecular monolayer doping. However, during this process, at least 20% of the phosphorus dopants are electrically deactivated. The deep-level transient spectroscopy shows that carbon-related defects are responsible for such deactivation.

Photophysical studies of zinc phthalocyanine and chloroaluminum phthalocyanine incorporated into liposomes in the presence of additives

Directory of Open Access Journals (Sweden)

S.M.T. Nunes

2004-02-01

Full Text Available The photophysical properties of zinc phthalocyanine (ZnPC and chloroaluminum phthalocyanine (AlPHCl incorporated into liposomes of dimyristoyl phosphatidylcholine in the presence and absence of additives such as cholesterol or cardiolipin were studied by time-resolved fluorescence, laser flash photolysis and steady-state techniques. The absorbance of the drugs changed linearly with drug concentration, at least up to 5.0 µM in homogeneous and heterogeneous media, indicating that aggregation did not occur in these media within this concentration range. The incorporation of the drugs into liposomes increases the dimerization constant by one order of magnitude (for ZnPC, 3.6 x 10(4 to 1.0 x 10(5 M-1 and for AlPHCl, 3.7 x 10(4 to 1.5 x 10(5 M-1, but this feature dose does not rule out the use of this carrier, since the incorporation of these hydrophobic drugs into liposomes permits their systemic administration. Probe location in biological membranes and predominant positions of the phthalocyanines in liposomes were inferred on the basis of their fluorescence and triplet state properties. Both phthalocyanines are preferentially distributed in the internal regions of the liposome bilayer. The additives affect the distribution of these drugs within the liposomes, a fact that controls their delivery when both are used in a biological medium, retarding their release. The addition of the additives to the liposomes increases the internalization of phthalocyanines. The interaction of the drugs with a plasma protein, bovine serum albumin, was examined quantitatively by the fluorescence technique. The results show that when the drugs were incorporated into small unilamellar liposomes, the association with albumin was enhanced when compared with organic media, a fact that should increase the selectivity of tumor targeting by these phthalocyanines (for ZnPC, 0.71 x 10(6 to 1.30 x 10(7 M-1 and for AlPHCl, 4.86 x 10(7 to 3.10 x 10(8 M-1.

Marine sponge skeleton photosensitized by copper phthalocyanine: A catalyst for Rhodamine B degradation

Directory of Open Access Journals (Sweden)

Norman Małgorzata

2016-01-01

Full Text Available We present a combined approach to photo-assisted degradation processes, in which a catalyst, H2O2 and UV irradiation are used together to enhance the oxidation of Rhodamine B (RB. The heterogeneous photocatalyst was made by the process of adsorption of copper phthalocyanine tetrasulfonic acid (CuPC onto purified spongin-based Hippospongia communis marine sponge skeleton (HcS. The product obtained, CuPC-HcS, was investigated by a variety of spectroscopic (carbon-13 nuclear magnetic resonance 13C NMR, Fourier transform infrared spectroscopy FTIR, energy-dispersive X-ray spectroscopy EDS and microscopic techniques (scanning electron microscopy SEM, fluorescent and optical microscopy, as well as thermal analysis. The study confirms the stable combination of the adsorbent and adsorbate. For a 10 mg/L RB solution, the percentage degradation reached 95% using CuPC-HcS as a heterocatalyst. The mechanism of RB removal involves adsorption and photodegradation simultaneously.

Interfacial Engineering of Perovskite Solar Cells by Employing a Hydrophobic Copper Phthalocyanine Derivative as Hole-Transporting Material with Improved Performance and Stability.

Science.gov (United States)

Jiang, Xiaoqing; Yu, Ze; Lai, Jianbo; Zhang, Yuchen; Hu, Maowei; Lei, Ning; Wang, Dongping; Yang, Xichuan; Sun, Licheng

2017-04-22

In high-performance perovskite solar cells (PSCs), hole-transporting materials (HTMs) play an important role in extracting and transporting the photo-generated holes from the perovskite absorber to the cathode, thus reducing unwanted recombination losses and enhancing the photovoltaic performance. Herein, solution-processable tetra-4-(bis(4-tert-butylphenyl)amino)phenoxy-substituted copper phthalocyanine (CuPc-OTPAtBu) was synthesized and explored as a HTM in PSCs. The optical, electrochemical, and thermal properties were fully characterized for this organic metal complex. The photovoltaic performance of PSCs employing this CuPc derivative as a HTM was further investigated, in combination with a mixed-ion perovskite as a light absorber and a low-cost vacuum-free carbon as cathode. The optimized devices [doped with 6 % (w/w) tetrafluoro-tetracyano-quinodimethane (F4TCNQ)] showed a decent power conversion efficiency of 15.0 %, with an open-circuit voltage of 1.01 V, a short-circuit current density of 21.9 mA cm -2 , and a fill factor of 0.68. Notably, the PSC devices studied also exhibited excellent long-term durability under ambient condition for 720 h, mainly owing to the introduction of the hydrophobic HTM interlayer, which prevents moisture penetration into the perovskite film. The present work emphasizes that solution-processable CuPc holds a great promise as a class of alternative HTMs that can be further explored for efficient and stable PSCs in the future. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mechanism of a strong rise of Tc due to the calcium doping in Y1-xCaxBa2Cu2.8Zn0.2Oy

International Nuclear Information System (INIS)

Martynova, O.A.; Potapov, D.V.; Gasumyants, V.E.; Vladimirskaya, E.V.

2011-01-01

Highlights: → Calcium is observed to restore superconductivity in Y 1-x Ca x Ba 2 Cu 2.8 Zn 0.2 O y . → Parameters of the band spectrum and charge-carrier system are determined. → The calcium doping is shown to give a noticeable contribution to the DOS function. → The mechanism of calcium effect on T c in doped YBa 2 Cu 3 O y is discussed. - Abstract: The normal-state transport properties and the critical temperature, T c , for three series of Y 1-x Ca x Ba 2 Cu 2.8 Zn 0.2 O y (x = 0-0.2) samples with different oxygen content have been investigated and discussed in comparison with results for other calcium-doped YBa 2 Cu 3 O y . We have observed the calcium doping to restore the superconductivity in the YBa 2 Cu 3 O y system even in case of the preliminary T c suppression by the direct destruction of the CuO 2 planes due to a preliminary doping by zinc. The T c value rises strongly with increasing calcium content and this rise becomes faster for the oxygen-reduced series. Based on a narrow-band model, the parameters of the band spectrum structure and the charge-carrier system in the normal state were determined from the analysis of the thermopower temperature dependences in order to reveal the mechanism of the T c rise under the Ca influence. It is shown that the T c increase in Y 1-x Ca x Ba 2 Cu 2.8 Zn 0.2 O y is related to the direct Ca ions effect. The mechanism of the calcium influence on the T c value is discussed with respect to the Ca-induced conduction band modification. The calcium doping in Y 1-x Ca x Ba 2 Cu 2.8 Zn 0.2 O y is shown to give a noticeable contribution to the density-of-states function leading to a strong rise in its value at the Fermi level that results in a restoration of the superconducting properties.

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.)

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.

Effects of low-level Ag doping on Bi2Sr2CaCu2O8+x

International Nuclear Information System (INIS)

Deis, T.A.; Eror, N.G.; Krishnaraj, P.; Prorok, B.C.; Lelovic, M.; Balachandran, U.

1995-07-01

Bi 2 Sr 2 CaCu 2 O 8 has been doped with silver, up to 10,000 ppm, in three ways: excess additions, substitution of Ag for Bi, and substitution of Ag for Sr. Effects of doping on the c-axis lattice parameter and critical temperature (T c ) were measured. Effects from doing were only observed in slow-cooled [10 degree/hr] oxygen equilibrated samples. Doping by excess additions caused a small decrease in T c and an increase in the c-axis length of the lattice. Doping by substitution, compared to excess Ag additions, caused a larger decrease in T c and higher c-axis values for doping levels up to 1,000 ppm. Doping by substitution at higher levels (1,000--10,000 ppm) caused T c to increase and the c-axis to decrease. Samples with similar substitutional doping levels exhibited comparable T c values and samples with Ag substituted for Sr consistently exhibited higher c-axis values than samples that had equivalent amounts of Ag substituted for Bi

Phthalocyanine-nanocarbon ensembles: From discrete molecular and supramolecular systems to hybrid nanomaterials

OpenAIRE

Bottari, Giovanni; De La Torre, Gema; Torres, Tomas

2015-01-01

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Accounts of Chemical Research, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/ar5004384 Conspectus Phthalocyanines (Pcs) are macrocyclic and aromatic compounds that present unique electronic features such as high molar absorption coefficients, rich redox chemistry, and...

Effect of heat treatment on the physical properties of bimetallic doped catalyst, Cu-Ni/TiO2

International Nuclear Information System (INIS)

Bashiri, Robabeh; Sufian, Suriati; Mohamed, Norani Muti; Kait, Chong Fai

2015-01-01

Post heat treatment is critical for the doped semiconductor oxide in order to improve its photocatalytic performance. Thus work had been carried out to understand the effect of different calcination temperature (400, 450 and 500°C) on the physical properties of nanosized Cu-Ni/TiO 2 Cu-Ni doped TiO 2 nanoparticles prepared using a combined method of sol-gel and hydrothermal. The treated samples were characterized using Raman spectroscopy, Brunauer–Emmett–teller (BET) measurement, high resolution transmission electron microscopy (HRTEM), field-emission scanning electron microscopy (FESEM), and diffuse reflectance UV-Vis spectroscopy (DR-UV-Vis). Raman analysis showed that all samples displayed anatase (101) phase of TiO 2 , which is in good agreement with the TEM results. BET data showed that all prepared Cu-Ni/TiO 2 with different calcination temperature are mesoporous. SEM images displayed spherical particles with typical size of about 15 to 20 nm. UV-Vis spectra illustrated that the absorbance edge of all prepared Cu-Ni/TiO 2 have extended to the visible region with bandgap energies (2-2.1 eV) less than the pure anatase TiO 2 (3.2 eV). Calcination temperature of 450°C is considered to be the optimum as it converts the synthesized Cu-Ni/TiO 2 sample to have smaller average particle size with higher surface area that lead to more absorbance in the visible region and lower bandgap energy

The composite phthalocyanine-based Langmuir-Blodgett films: structural peculiarities and NO-sensitive properties

Energy Technology Data Exchange (ETDEWEB)

Emelianov, I.L.; Khatko, V.V. [Nat. Acad. of Sci., Minsk (Belarus). Phys. Tech. Inst.

1999-10-08

Surface pressure versus area per molecule isotherms of the Langmuir monolayers of copper tetra-tert-butyl phthalocyanine (abbreviated as CuTTBPc), arachidic acid (abbreviated as AA), and their mixtures were measured depending upon the film component ratio and ionic content of the subphase. Substantial deviations of the mixed monolayer behaviour from an ideal one, which is characteristic of fully immiscible compounds forming separate surface domains on the liquid subphase, were observed if the molar fraction of AA in mixed monolayers exceeded 50%. This abnormality in the monolayer behaviour correlated with the drastic changes in the kinetics responses to NO gas of the sensors based on the mixed Langmuir-Blodgett (LB) films. The comparison and analysis of the results obtained suggest that the gas-sensitive properties of the two-component LB films are determined by two features of their structure, namely, hole-like defects existing in the AA matrix and interlayer cavities. The corresponding structure model of the mixed films is proposed. The results obtained may be useful for understanding the gas-sensitive mechanism of the composite phthalocyanine-based LB films. (orig.)

Copper doped borate dosimeters revisited

Energy Technology Data Exchange (ETDEWEB)

Alajerami, Y.S.M. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor (Malaysia); Department of Medical Radiography, Al-Azhar University, Gaza Strip, Palestine (Country Unknown); Hashim, S., E-mail: suhairul@utm.my [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor (Malaysia); Oncology Treatment Centre, Sultan Ismail Hospital, 81100 Johor Bahru (Malaysia); Ghoshal, S.K. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor (Malaysia); Bradley, D.A. [Centre for Nuclear and Radiation Physics, Department of Physics, University of Surrey, Guildford GU2 7XH (United Kingdom); Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Mhareb, M. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor (Malaysia); Saleh, M.A. [Department of Physics, Universiti Teknologi Malaysia, 81310 Skudai, Johor (Malaysia); National Atomic Energy Commission (NATEC), Sana' a (Yemen)

2014-11-15

We render a panoramic overview on copper (Cu) doped borate dosimeters. Preparing a dosimeter by mixing specific materials with precise weights and methods is a never-ending quest. The recommended composition is highly decisive for accurate estimation of the absorbed dose, prediction of the biological outcome, determination of the treatment dose for radiation therapy and facilitation of personal monitoring. Based on these principles, the proposed dosimeter must cover a series of dosimetric properties to realize the exact results and assessment. The doped borate dosimeters indeed demonstrate attractive thermoluminescence (TL) features. Several dedicated efforts are attempted to improve the luminescence properties by doping various transition metals or rare-earth elements. The Cu ion being one of the preferred activators shows excellent TL properties as revealed via detail comparison with other dosimeters. Two oxide states of Cu (Cu{sup +} and Cu{sup ++}) with reasonable atomic number allow easy interaction with boron network. Interestingly, the intrinsic luminescent centers of borate lattice are in cross linked with that of Cu{sup +} ions. Thus, the activation of borate dosimeter with Cu ions for the enhancement of the TL sensitivity is recognized. These dosimeters reveal similar glow curves as the standard TLD-100 (LiF:Mg,Ti) one irrespective of the use of modifiers and synthesis techniques. They display high sensitivity, low fading, dose response linearity over wide range and practical minimum detectable dose. Furthermore, the effective atomic number being the most beneficial aspect (equivalent to that of human tissue) of borate dosimeters do not show any change due to Cu ion activations. The past development, major challenges, excitement, applications, recent progress and the future promises of Cu doped borate TL dosimeters are highlighted. - Highlights: • The manuscript gives a panoramic overview on copper doped borate dosimeters. • Cu ions activated

Molecular structure effects in photodegradation of phenol and its chlorinated derivatives with phthalocyanines

Czech Academy of Sciences Publication Activity Database

Klusoň, P.; Drobek, M.; Krejčíková, S.; Krýsa, J.; Kalaji, A.; Cajthaml, Tomáš; Rakušan, J.

2008-01-01

Roč. 80, 3-4 (2008), s. 321-326 ISSN 0926-3373 R&D Projects: GA AV ČR KAN400720701 Grant - others:CZ(CZ) GD203/03/H140; Mšk(CZ) IM4531433201 Program:GD Institutional research plan: CEZ:AV0Z50200510 Keywords : phthalocyanines * phenol * chlorophenols Subject RIV: EE - Microbiology, Virology Impact factor: 4.853, year: 2008

Defect formation and carrier doping in epitaxial films of the ''parent'' compound SrCuO2: Synthesis of two superconductors descendants

International Nuclear Information System (INIS)

Feenstra, R.; Norton, D.P.; Budai, J.D.; Jones, E.C.; Christen, D.K.; Kawai, T.

1995-04-01

The infinite layer or parent compounds ACuO 2 (A: Ca-Sr-Ba) constitute the simplest copper oxygen perovskites that contain the CuO 2 sheets essential for superconductivity. The stabilization of these basic ''building blocks'' as epitaxial films, therefore, provides alluring opportunities towards the search for new superconducting compounds and elucidation of the underlying mechanisms. In this work, general trends of the defect formation and carrier doping for epitaxial films of the intermediate endmember SrCuO 2 are reviewed. First results are presented from successful attempts to induce hole-doped superconductivity via the processing-controlled incorporation of charge reservoir layers

Exciplex mediated photoinduced electron transfer reactions of phthalocyanine-fullerene dyads

NARCIS (Netherlands)

Niemi, Marja; Tkachenko, Nikolai V.; Efimov, Alexander; Lehtivuori, Heli; Ohkubo, Kei; Fukuzumi, Shunichi; Lemmetyinen, Helge

2008-01-01

Evidences of an intramolecular exciplex intermediate in a photoinduced electron transfer (ET) reaction of double-linked free-base and zinc phthalocyanine-C-60 dyads were found. This was the first time for a dyad with phthalocyanine donor. Excitation of the phthalocyanine moiety of the dyads results

Electronic transport properties of (fluorinated) metal phthalocyanine

KAUST Repository

Fadlallah, M M; Eckern, U; Romero, A H; Schwingenschlö gl, Udo

2015-01-01

The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.

Electronic transport properties of (fluorinated) metal phthalocyanine

KAUST Repository

Fadlallah, M M

2015-12-21

The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S–Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.

Where do the doped holes go in La2-xSrxCuO4? A close look by XAFS

International Nuclear Information System (INIS)

Haskel, Daniel; Polinger, Victor; Stern, Edward A.

1999-01-01

Polarized x-ray absorption fine structure (XAFS) measurements at the La and Sr sites in La 2-x Sr x CuO 4 (0.075(less-or-similar sign)x(less-or-similar sign)0.35) indicate that doped holes introduced with Sr are not uniformly distributed in the CuO 2 planes but reside in impurity states with the majority of charge located on CuO 6 octahedra coupled to the Sr dopants by an apical oxygen (denoted as Sr octahedra). A model based on doped hole-induced Jahn Teller (JT) distortions of these Sr octahedra indicates the impurity states are overlapping singlet and triplet ones resulting from pairings of intrinsic and extrinsic holes. The more mobile singlet pairs reside in the CuO 2 planes, are bound by more than 0.1 eV and could Bose-condense into a superconducting state. The predominant appearance of (mostly) out-of plane triplet states at high x intimately related to the 2D-3D crossover in transport properties and could relate to the observed loss of high T c in the overdoped regime, as confinement of carriers to the CuO 2 planes is reduced. (c) 1999 American Institute of Physics

EPR and optical studies of Cu2+ ions doped in magnesium potassium phosphate hexahydrate single crystals

International Nuclear Information System (INIS)

Kripal, Ram; Shukla, Santwana

2011-01-01

An electron paramagnetic resonance (EPR) study of Cu 2+ -doped magnesium potassium phosphate is performed at liquid nitrogen temperature (LNT; 77 K). Two magnetically non-equivalent sites for Cu 2+ are observed. The spin Hamiltonian parameters are determined with the fitting of spectra to a rhombic symmetry crystalline field. The ground state wavefunction is also determined. The g-anisotropy is evaluated and compared with the experimental value. With the help of an optical study, the nature of the bonding in the complex is discussed.

Bromine-doped DWNTs: A Molecular Faraday Cage

Science.gov (United States)

Chen, Gugang; Margine, Roxana; Gupta, Rajeev; Crespi, Vincent; Eklund, Peter; Sumanasekera, Gamini; Bandow, Shunji; Iijima, S.

2003-03-01

Raman scattering is used to probe the charge transfer distribution in Bromine-doped double-walled carbon nanotubes (DWNT). Using 1064 nm and 514.5 nm laser excitation we are able to study the charge-transfer sensitive phonons in the inner ( (5,5)) and outer ( (10,10)) tubes of the double-walled pair. The experimental results are compared to our tight binding band structure calculations that include a self-consistent electrostatic term sensitive to the average net charge density on each tube. Upon doping, the nanotube tangential and radial Raman bands from the outer (primary) tubes were observed to shift dramatically to higher frequencies, consistent with a C-C bond contraction driven by the acceptor-doping. The peak intensities of these bands significantly decreased with increasing doping exposure, and they eventually vanished, consistent with a deep depression in the Fermi energy that extinguishes the resonant Raman effect. Interestingly, at the same time, we observed little or no change for the tangential and radial Raman features identified with the inner (secondary) tubes during the bromine doping. Our electronic structure calculations show that the charge distribution between the outer and inner tubes depends on doping level and also, to some extent, on specific tube chirality combinations. In general, in agreement with experiment, the calculations find a very small net charge on the inner tube, consistent with a "Molecular Faraday Effect", e.g., a DWNT of (10, 10)/ (5, 5) configuration that exhibits 0.5 holes/Å total charge transfer, has only 0.04 holes/Å on the inner (secondary) tube.

Aqueous-phase synthesis and color-tuning of core/shell/shell inorganic nanocrystals consisting of ZnSe, (Cu, Mn)-doped ZnS, and ZnS

Energy Technology Data Exchange (ETDEWEB)

Choi, Jongwan; Yoon, Sujin [Department of Chemistry and Research Institute for Natural Science, Hanyang University, Seoul, 133-791 (Korea, Republic of); Kim, Felix Sunjoo, E-mail: fskim@cau.ac.kr [School of Chemical Engineering and Materials Science, Chung-Ang University, Seoul, 156-756 (Korea, Republic of); Kim, Nakjoong, E-mail: kimnj@hanyang.ac.kr [Department of Chemistry and Research Institute for Natural Science, Hanyang University, Seoul, 133-791 (Korea, Republic of)

2016-06-25

We report synthesis of colloidal nanocrystals based on ZnSe core, (Cu,Mn)-doped ZnS inner-shell, and ZnS outer-shell by using an eco-friendly method and their optical properties. Synthesis of core/shell/shell nanocrystals was performed by using a one-pot/three-step colloidal method with 3-mercaptopropionic acid as a stabilizer in aqueous phase at low temperature. A double-shell structure was employed with inner-shell as a host for doping and outer-shell as a passivation layer for covering surface defects. Copper and manganese were introduced as single- or co-dopants during inner-shell formation, providing an effective means to control the emission color of the nanocrystals. The synthesized nanocrystals showed fluorescent emission ranging from blue to green, to white, and to orange, adjusted by doping components, amounts, and ratios. The photoluminescence quantum yields of the core/doped-shell/shell nanocrystals approached 36%. - Highlights: • ZnSe/ZnS:(Cu,Ms)/ZnS core/(doped)shell/shell nanocrystals were synthesized in an aqueous phase. • Emission color of nanocrystals was controlled from blue to white to orange by adjusting the atomic ratio of Cu and Mn co-dopants. • Photoluminescence quantum yields of the colloidal nanocrystals approached 36%.

Thermoluminescence dependence on the wavelength of monochromatic UV-radiation in Cu-doped KCl and KBr at room temperature

Energy Technology Data Exchange (ETDEWEB)

Perez R, A.; Piters, T.; Aceves, R.; Rodriguez M, R.; Perez S, R., E-mail: rperez@cifus.uson.mx [Universidad de Sonora, Departamento de Investigaciones en Fisica, Apdo. Postal 5-088, 83190 Hermosillo, Sonora (Mexico)

2014-08-15

Thermoluminescence (Tl) dependence on the UV irradiation wavelengths from 200 to 500 nm in Cu-doped KCl and KBr crystals with different thermal treatment has been analyzed. Spectrum of the Tl intensity of each material show lower intensity at wavelengths longer than 420 nm. The Tl intensity depends on the irradiation wavelength. Structure of the Tl intensity spectrum of each sample is very similar to the structure of its optical absorption spectrum, indicating that at each wavelength, monochromatic radiation is absorbed to produce electronic transitions and electron hole pairs. Thermoluminescence of materials with thermal treatment at high temperature shows electron-hole trapping with less efficiency. The results show that Cu-doped alkali-halide materials are good detectors of a wide range of UV monochromatic radiations and could be used to measure UV radiation doses. (Author)

Thermoluminescence dependence on the wavelength of monochromatic UV-radiation in Cu-doped KCl and KBr at room temperature

International Nuclear Information System (INIS)

Perez R, A.; Piters, T.; Aceves, R.; Rodriguez M, R.; Perez S, R.

2014-08-01

Thermoluminescence (Tl) dependence on the UV irradiation wavelengths from 200 to 500 nm in Cu-doped KCl and KBr crystals with different thermal treatment has been analyzed. Spectrum of the Tl intensity of each material show lower intensity at wavelengths longer than 420 nm. The Tl intensity depends on the irradiation wavelength. Structure of the Tl intensity spectrum of each sample is very similar to the structure of its optical absorption spectrum, indicating that at each wavelength, monochromatic radiation is absorbed to produce electronic transitions and electron hole pairs. Thermoluminescence of materials with thermal treatment at high temperature shows electron-hole trapping with less efficiency. The results show that Cu-doped alkali-halide materials are good detectors of a wide range of UV monochromatic radiations and could be used to measure UV radiation doses. (Author)

Normal state and superconductivity of La sub 2-x Sr sub x CuO sub 4-y : various doping effects in Sr-rich samples

Energy Technology Data Exchange (ETDEWEB)

Narasimha Rao, C.V.; Weller, M.T. (Dept. of Chemistry, Univ. of Southampton (United Kingdom)); Lanchester, P.C. (Dept. of Physics, Univ. of Southampton (United Kingdom))

1991-12-01

Doping effects studied in the La{sub 2-x}Sr{sub x}CuO{sub 4} system have mostly been confined to lower concentrations of strontium x<0.25. In this paper we present some of the salient features of various substitional effects in La{sub 2-x}Sr{sub x}CuO{sub 4-y} with particular emphasis given to Sr-rich samples x{>=}0.25. We have studied the effects of niobium and titanium dopings for Cu and compare the results with that of Zn substitution. The effects of titanium and niobium substitutions are quite different and the former is even more deleterious in terms of reducing Tc than is found for zinc. X-ray diffraction showed an increase in 'a' and decrease in 'c' parameters for all dopings. The results are interpreted in terms of the hole concentration and impurity disorder effects. (orig.).

Doping effects of Fe ion on magnetic anisotropy of YBa2Cu3Oy

International Nuclear Information System (INIS)

Ugawa, T.; Horii, S.; Maeda, T.; Haruta, M.; Shimoyama, J.

2013-01-01

Highlights: •We clarified orientation effects of Fe-doped Y123 in modulated rotating fields. •Y123 showed two different hard magnetic axes due to twin microstructures. •The two hard magnetic axes in Fe-doped Y123 were [1 0 0] and [1 1 0] directions. •Magnetic anisotropy of the [1 1 0] grain was higher than that of the [1 0 0] grain. -- Abstract: We report magnetic alignment of YBa 2 (Cu 1−x Fe x ) 3 O y (Fe-doped Y123, x = 0–0.1) powders under modulated rotation magnetic fields (MRFs) and roles of Fe ion as a determination factor of magnetic anisotropy in Y123. The Fe-free and Fe-doped Y123 powder samples aligned in the MRF of 10 T showed two different orientation types of the hard axis in Y123 grains. From an X-ray rocking curve measurement for the magnetically aligned powder samples of the Fe-doped Y123, inplane magnetic anisotropy for Y123 grains with the hard axis parallel to the [1 1 0] direction was found to be higher than that for Y123 grains with the hard axis parallel to the [0 1 0] direction

Optical and infrared spectroscopic studies of chemical sensing by copper phthalocyanine thin films

International Nuclear Information System (INIS)

Singh, Sukhwinder; Tripathi, S.K.; Saini, G.S.S.

2008-01-01

Thin films of copper phthalocyanine have been deposited on KBr and glass substrates by thermal evaporation method and characterized by the X-ray diffraction and optical absorption techniques. The observed X-ray pattern suggests the presence of α crystalline phase of copper phthalocyanine in the as-deposited thin films. Infrared spectra of thin films on the KBr pallet before and after exposure to the vapours of ammonia and methanol have been recorded in the wavenumber region of 400-1650 cm -1 . The observed infrared bands also confirm the α crystalline phase. On exposure, change in the intensity of some bands is observed. A new band at 1385 cm -1 , forbidden under ideal D 4h point group symmetry, is also observed in the spectra of exposed thin films. These changes in the spectra are interpreted in terms of the lowering of molecular symmetry from D 4h to C 4v . Axial ligation of the vapour molecules on fifth coordination site of the metal ion is responsible for lowering of the molecular symmetry

Frenkel-Charge-Transfer exciton intermixing theory for molecular crystals with two isolated Frenkel exciton states.

Science.gov (United States)

Bondarev, Igor; Popescu, Adrian

We develop an analytical theory for the intra-intermolecular exciton intermixing in periodic 1D chains of planar organic molecules with two isolated low-lying Frenkel exciton states, typical of copper phthalocyanine (CuPc) and other transition metal phthalocyanine molecules. We formulate the Hamiltonian and use the exact Bogoliubov diagonalization procedure to derive the eigen energy spectrum for the two lowest intramolecular Frenkel excitons coupled to the intermolecular charge transfer (CT) exciton state. By comparing our theoretical spectrum with available experimental CuPc absorption data, we obtain the parameters of the Frenkel-CT exciton intermixing in CuPc thin films. The two Frenkel exciton states here are spaced apart by 0.26 eV, and the charge transfer exciton state is 50 meV above the lowest Frenkel exciton. Both Frenkel excitons are strongly mixed with the CT exciton, showing the coupling constant 0.17 eV in agreement with earlier electron transport experiments. Our results can be used for the proper interpretation of the physical properties of crystalline phthalocyanines. DOE-DE-SC0007117 (I.B.), UNC-GA ROI Grant (A.P.).

Label-free room-temperature phosphorescence turn-on detection of tiopronin based on Cu{sup 2+}-modulated homocysteine-capped manganese doped zinc sulfide quantum dots

Energy Technology Data Exchange (ETDEWEB)

Gong, Yan; Fan, Zhefeng, E-mail: crush_bc@163.com

2015-04-15

A label-free turn-on room-temperature phosphorescence (RTP) sensor for tiopronin based on Cu{sup 2+}-modulated homocysteine (Hcy)-capped Mn-doped ZnS quantum dots (QDs) was described in this paper. The RTP of Hcy-capped Mn-doped ZnS QDs can be effectively quenched by Cu{sup 2+} due to the binding of Cu{sup 2+} to the Hcy on the surface of the QDs and the electron transfer generated from the photoexcited QDs to Cu{sup 2+}. The high affinity of tiopronin to Cu{sup 2+} enables the dissociation of the ion from the surface of the QDs, thereby forming a stable complex with tiopronin in the solution, and recovering the RTP of the QDs. The Cu{sup 2+}-induced RTP quenching and subsequent tiopronin-induced RTP recovery for MPA-capped ZnS QDs provide a solid basis for the present RTP sensor based on QDs for the detection of tiopronin. The detection limit for tiopronin is 0.18 ng mL{sup −1}, the relative standard deviations is 1.9%, and the recovery of urine and serum samples with tiopronin addition range from 96% to 106% under optimal conditions. The proposed method was successfully applied to biological fluids and obtained satisfactory results. - Highlights: • The high water-solubility Mn-doped-QDs with good RTP property was synthesized. • The RTP intensity of the QDs could be effectively quenched by Cu{sup 2+} ions. • Cu{sup 2+} ions were selectively separated from the QDs by tiopronin. • The RTP of the Cu{sup 2+}-modulated QDs was restored by tiopronin. • The tiopronin sensor was applied to biological fluids with satisfactory results.

Photodynamics of charge separation and recombination in solid alternating films of phthalocyanine or phthalocyanine-fullerene dyad and perylene dicarboximide

NARCIS (Netherlands)

Lehtivuori, Heli; Kumpulainen, Tatu; Hietala, Matti; Efimov, Alexander; Helge, Lemmetyinen; Kira, Aiko; Imahori, Hiroshi; Tkachenko, Nikolai V.

2009-01-01

Alternate bilayer structures of N,N'-bis(2,5-di-tert-butylphenyl)-3,4,9,10- perylene dicarboximide (PDI), freebase phthalocyanines (Pc), and double-linked free-base phthalocyanine-fullerene dyad (Pc-C 60) were prepared by the Langmuir-Schäfer method and studied using a range of optical spectroscopy

High-efficiency THz modulator based on phthalocyanine-compound organic films

International Nuclear Information System (INIS)

He, Ting; Zhang, Bo; Shen, Jingling; Zang, Mengdi; Chen, Tianji; Hu, Yufeng; Hou, Yanbing

2015-01-01

We report a high efficiency, broadband terahertz (THz) modulator following a study of phthalocyanine-compound organic films irradiated with an external excitation laser. Both transmission and reflection modulations of each organic/silicon bilayers were measured using THz time-domain and continuous-wave systems. For very low intensities, the experimental results show that AlClPc/Si can achieve a high modulation factor for transmission and reflection, indicating that AlClPc/Si has a superior modulation efficiency compared with the other films (CuPc and SnCl 2 Pc). In contrast, the strong attenuation of the transmitted and reflected THz waves revealed that a nonlinear absorption process takes place at the organic/silicon interface

Kinetic response study in chemiresistive gas sensor based on carbon nanotube surface functionalized with substituted phthalocyanines

Science.gov (United States)

Sharma, Anshul Kumar; Kumar, Pankaj; Saini, Rajan; Bedi, R. K.; Mahajan, Aman

2016-05-01

A kind of hybrid material is prepared by functionalizing multi-wall carbon nanotubes (MWCNTs-COOH) with substituted copper phthalocyanine and the formation of CuPcOC8/MWCNTs-COOH hybrid is confirmed by scanning electron microscopy and transmission electron microscopy. The results indicated that on the surface of nanotubes substituted CuPcOC8 derivatives has been successfully anchored through π-π stacking interaction. The gas sensing application of the fabricated hybrid material is tested upon exposure to different hazardous species, specifically NO2, NO, Cl2 and NH3 at operating temperature of 150˚C. It has been demonstrated that for Cl2 minimum detection limit of CuPcOC8/MWCNTs-COOH hybrid is 100 ppb. The response of hybrid sensor is found to be increased with increase in the concentration of Cl2.

Positron annihilation measurements in La2-xSrxCuO4 as a function of Sr doping

International Nuclear Information System (INIS)

Bharathi, A.; Janaki, J.; Vasumathi, D.; Hariharan, Y.

1989-01-01

Results of positron annihilation, room temperature resistivity and superconducting transition temperature measurements are presented in the La-Sr-Cu-O system, as a function of Sr doping. The correlation in these parameters are understood as arising from changes in the carrier concentration

Structural and optical properties of a NaCl single crystal doped with CuO nanocrystals

International Nuclear Information System (INIS)

Addala, S.; Bouhdjer, L.; Halimi, O.; Boudine, B.; Sebais, M.; Chala, A.; Bouhdjar, A.

2013-01-01

A cupric oxide (CuO) nanocrystal-doped NaCl single crystal and a pure NaCl single crystal are grown by using the Czochralski (Cz) method. A number of techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray (EDX) analysis, Fourier transform infrared (FT-IR) spectroscopy, Raman spectroscopy, optical absorption in the UV—visible range, and photoluminescence (PL) spectroscopy are used to characterize the obtained NaCl and NaCl:CuO crystals. It is observed that the average radius of CuO crystallites in NaCl:CuO crystal is about 29.87 nm, as derived from the XRD data analysis. Moreover, FT-IR and Raman spectroscopy results confirm the existence of the monoclinic CuO phase in NaCl crystal. UV—visible absorption measurements indicate that the band gap of the NaCl:CuO crystal is 434 nm (2.85 eV), and it shows a significant amount of blue-shift (ΔE g = 1 eV) in the band gap energy of CuO, which is due to the quantum confinement effect exerted by the CuO nanocrystals. The PL spectrum of the NaCl:CuO shows a broad emission band centred at around 438 nm, which is consistent with the absorption measurement. (interdisciplinary physics and related areas of science and technology)

Thermoluminescence and radioluminescence properties of tissue equivalent Cu-doped Li2B4O7 for radiation dosimetry

International Nuclear Information System (INIS)

Cruz Z, E.; Furetta, C.; Marcazzo, J.; Santiago, M.; Guarneros, C.; Pacio, M.; Palomino, R.

2015-10-01

Thermoluminescence (Tl) and radioluminescence (Rl) properties of lithium tetraborate (Li 2 B 4 O 7 ) doped with different concentration of copper (0.25, 0.5, 1 wt %) under gamma and beta irradiation has been investigated. The feasibility of using this borate in radiation dosimetry at low doses has been evaluated. Tissue equivalent Li 2 B 4 O 7 was prepared by solid state reaction using mixing stoichiometric compositions of lithium carbonate (Li 2 CO 3 ) and boric acid (H 3 BO 3 ) and a solution of CuCl 2 as dopant. The glow curve, of the most efficient copper doped borate (Li 2 B 4 O 7 :Cu 0.5 wt %), shows a main stable peak centered at 225 degrees C and a second low temperature peak centered at 80 degrees C. The low temperature peak disappears completely after 24 hours of storage in darkness and at room temperature or after an annealing at 120 degrees C for 10 seconds. The main peak of the Li 2 B 4 O 7 :Cu remains constant. The Tl response of Li 2 B 4 O 7 :Cu shows good linearity in the analyzed dose range. The stability and repeatability of Rl signals of the borate have been studied and the Li 2 B 4 O 7 :Cu (0.5 wt %) shown the higher Rl emission and a stable and repetitive response. Results show that Li 2 B 4 O 7 :Cu has prospects to be used in gamma and beta radiation dosimetry. (Author)

An ultrafast study of Zinc Phthalocyanine in DMSO

CSIR Research Space (South Africa)

Ombinda-Lemboumba, Saturnin

2010-10-01

Full Text Available The ultrafast dynamics of Zinc Phthalocyanine was studied using trasient absorption pump probe spectroscopy. Zinc Phthalocyanine was excited (pumped) at 672nm and probed by a white light continuum. The pump-probe technique used in this study...

Structure and properties of YBa2Cu3O7-δ superconductor doped with bulk cadmium oxide

Directory of Open Access Journals (Sweden)

A Echresh

2010-09-01

Full Text Available In this paper, the Y1-xCdxBa2Cu3O7-δ superconductor with x=0, 0.05, 0.1, 0.15, 0.2, 0.3, 0.4, 0.5 are prepared using the solid state method and the structure, electrical resistance, critical current density and critical temperature of it, have been studied. The results show that these doping do not affect so much on the structure and lattice parameters. The electrical resistance of samples increased with doping. A little amount of doping cadmium improve critical current density such that the sample x=0.1 has a maximum critical current density among the samples. The critical temperature with doping cadmium up to x=0.2 has little fluctuation and its variation can be ignored, but by increasing up to x=0.5 the critical temperature decreases gradually.

Electrical doping: the impact on interfaces of π-conjugated molecular films

International Nuclear Information System (INIS)

Gao Weiying; Kahn, Antoine

2003-01-01

Organic-metal and organic-organic interfaces play crucial roles in charge injection in, and transport through, organic thin film devices. Their electronic structure, chemical properties and electrical behaviour must be fully characterized and understood if engineering and control of organic devices are to reach the levels attained for inorganic semiconductor devices. Recent fundamental, as well as device, work has demonstrated that electrical doping provides a very interesting way to improve carrier injection into molecular films and, eventually, control molecular level alignment at their interfaces. This brief review emphasizes the current understanding of the effects of doping on organic interfaces

Spectrally selective molecular doped solids: spectroscopy, photophysics and their application to ultrafast optical pulse processing

International Nuclear Information System (INIS)

Galaup, Jean-Pierre

2005-01-01

The persistent spectral hole-burning (PSHB) phenomenon observed in molecular doped polymers cooled down to liquid helium temperatures allows the engraving of spectral structures in the inhomogeneous absorption profile of the material. This phenomenon known since 1974 has became a fruitful field for the study of the intimacy of complex molecular systems in the solid state, revealing high-resolution spectroscopy, photophysics, photochemistry and dynamics of molecular doped amorphous media, organic as well as inorganic. A PSHB molecular doped solid can be programmed in spectral domain and therefore, it can be converted in an optical processor capable to achieve user-defined optical functions. Some aspects of this field are illustrated in the present paper. An application is presented where a naphthalocyanine doped polymer film is used in a demonstrative experiment to prove that temporal aberration free re-compression of ultra-short light pulses is feasible. Perspectives for the coherent control of light fields or photochemical processes are also evoked

Interface-Engineered Charge-Transport Properties in Benzenedithiol Molecular Electronic Junctions via Chemically p-Doped Graphene Electrodes.

Science.gov (United States)

Jang, Yeonsik; Kwon, Sung-Joo; Shin, Jaeho; Jeong, Hyunhak; Hwang, Wang-Taek; Kim, Junwoo; Koo, Jeongmin; Ko, Taeg Yeoung; Ryu, Sunmin; Wang, Gunuk; Lee, Tae-Woo; Lee, Takhee

2017-12-06

In this study, we fabricated and characterized vertical molecular junctions consisting of self-assembled monolayers of benzenedithiol (BDT) with a p-doped multilayer graphene electrode. The p-type doping of a graphene film was performed by treating pristine graphene (work function of ∼4.40 eV) with trifluoromethanesulfonic (TFMS) acid, producing a significantly increased work function (∼5.23 eV). The p-doped graphene-electrode molecular junctions statistically showed an order of magnitude higher current density and a lower charge injection barrier height than those of the pristine graphene-electrode molecular junctions, as a result of interface engineering. This enhancement is due to the increased work function of the TFMS-treated p-doped graphene electrode in the highest occupied molecular orbital-mediated tunneling molecular junctions. The validity of these results was proven by a theoretical analysis based on a coherent transport model that considers asymmetric couplings at the electrode-molecule interfaces.

RBS and ion channeling studies of Ag-doped YBa2Cu3O7-δ targets and films

International Nuclear Information System (INIS)

Li Yupu; Liu, J.R.; Cui, X.T.; Chu, W.K.

1998-01-01

The location of Ag in Ag-doped YBa 2 Cu 3 O 7-δ (YBCO) films and other high-T c materials (such as Ag-doped BiSrCaCuO films and Ag-sheathed textured BiSrCaCuO wires) is a very important issue for improving high-T c materials. In this work, laser ablated and DC magnetron sputtered YBCO films on (100) LaAlO 3 and (100) SrTiO 3 were prepared from sintered Ag-YBCO composite targets (nominally containing 5 wt% Ag) and studied by Rutherford backscattering spectrometry (RBS) and ion channeling techniques using 2.0 MeV 4 He + and 7 Li + beams. We have found that the Ag-YBCO targets contain about 3 wt% Ag and most of the retained Ag atoms form some small size Ag precipitates with a typical size smaller than a few microns. We have demonstrated that in very good single crystalline YBCO films, the percentage of retained Ag in substitutional sites can be estimated by ion channeling technique. For example, we have found that about 1.2 wt% Ag atoms remain in the laser ablated Ag-doped films prepared from the Ag-YBCO target and about two-thirds of the retained Ag atoms occupy substitutional sites. The sputtered films contain less retained Ag atoms since the deposition temperature is higher and deposition time is longer than those for laser ablated films. (orig.)

Revisiting the adsorption of copper-phthalocyanine on Au(111) including van der Waals corrections

International Nuclear Information System (INIS)

Lüder, Johann; Eriksson, Olle; Sanyal, Biplab; Brena, Barbara

2014-01-01

We have studied the adsorption of copper-phthalocyanine on Au(111) by means of van der Waals corrected density functional theory using the Tkatchenko-Scheffler method. We have compared the element and site resolved adsorption distances to recent experimental normal-incident X-ray standing wave measurements. The measured adsorption distances could be reproduced within a deviation of 1% for the Cu atom, 1% for the C atoms, and 2% for the N atoms. The molecule was found to have a magnetic moment of 1 μ B distributed over the Cu and the N atoms of the pyrrole ring. Simulated scanning tunnel microscopy images based on the total and on the spin-resolved differential charge densities are provided for bias voltages of −1.45 and 1.45 eV

Perspective: Extremely fine tuning of doping enabled by combinatorial molecular-beam epitaxy

Directory of Open Access Journals (Sweden)

J. Wu

2015-06-01

Full Text Available Chemical doping provides an effective method to control the electric properties of complex oxides. However, the state-of-art accuracy in controlling doping is limited to about 1%. This hampers elucidation of the precise doping dependences of physical properties and phenomena of interest, such as quantum phase transitions. Using the combinatorial molecular beam epitaxy, we improve the accuracy in tuning the doping level by two orders of magnitude. We illustrate this novel method by two examples: a systematic investigation of the doping dependence of interface superconductivity, and a study of the competing ground states in the vicinity of the insulator-to-superconductor transition.