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RESEARCH PAPER · Journal of Materials Chemistry · 2011

Understanding the p-type defect chemistry of CuCrO2

David O. Scanlon, Graeme W. Watson

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Understanding the p-type defect chemistry of CuCrO2OriginalChemical bonding in copper-based transparent conducting oxides: CuMO2(M = In, Ga, Sc)38Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory190Electronic structures of silver oxides84Advances in understanding of transparent conducting oxides59Structural and magnetic characterization of the complete delafossite solid solution (CuAlO2)1−x(CuCrO2)x6Nature of the Band Gap and Origin of the Conductivity of PbO 2 Revealed by Theory and Experiment118On the possibility of p-type SnO2180Structural, electronic band transition and optoelectronic properties of delafossite CuGa1−xCrxO2 (0 ≤ x ≤ 1) solid solution films grown by the sol–gel method70Local structures and roles of Fe3+ and Cr3+ in p‐type semiconductor CuAlO28Ab initio Calculations of Intrinsic Point Defects in ZnSb87Characterization of delafossite-CuCrO2 thin films prepared by post-annealing using an atmospheric pressure plasma torch35Binary copper oxide semiconductors: From materials towards devices741Exchange coupling and helical spin order in the triangular lattice antiferromagnet CuCrO 2 using first principles14Electronic structure of CuCrO2 thin films grown on Al2O3(001) by oxygen plasma assisted molecular beam epitaxy58Computational testing of trivalent dopants in CeO 2 for improved high-κ dielectric behaviour45Correlation between p -type conductivity and electronic structure of Cr-deficient CuCr 1−x O 2 ( x = 0--0.1)13Coupling between crystal structure and magnetism in transition-metal0Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory81High-performance CNT-wired MoO3 nanobelts for Li-storage application60Understanding the defect chemistry of tin monoxide89Elucidating the Nature of Pseudo Jahn–Teller Distortions in LixMnPO4: Combining Density Functional Theory with Soft and Hard X-ray Spectroscopy101Mg-Doped CuFeO2 Photocathodes for Photoelectrochemical Reduction of Carbon Dioxide186CuCrO 2 Delafossite: A Stable Copper Catalyst for Chlorine Production81CuCrO2 Delafossite: A Stable Copper Catalyst for Chlorine Production18Electronic Structure of Epitaxial Sn-Doped Anatase Grown on SrTiO3(001) by Dip Coating12Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory156Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds112Electronic transition and electrical transport properties of delafossite CuCr1−xMgxO2 (0 ≤ x ≤ 12%) films prepared by the sol-gel method: A composition dependence study40Combinatorial Atmospheric Pressure Chemical Vapor Deposition of F:TiO2; the Relationship between Photocatalysis and Transparent Conducting Oxide Properties44Remarkable photocurrent of p-type dye-sensitized solar cell achieved by size controlled CuGaO 2 nanoplates103Band gap engineering of In2O3 by alloying with Tl2O322Coupling between crystal structure and magnetism in transition-metal oxides0Defect chemistry in layered transition-metal oxides from screened hybrid density functional calculations130Low Temperature Preparation and Electrochemical Properties of LiFeSi2O613Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe67Structure, composition and properties of p-type CuCrO2 thin films30Electron affinities and ionization energies of Cu and Ag delafossite compounds: A hybrid functional study31N incorporation and associated localized vibrational modes in GaSb19Near Field Enhanced Photocurrent Generation in P-type Dye-Sensitized Solar Cells31High-throughput calculations of alloyed delafossite materials: Application to CuGa1−xFexO214Effects of Pd substitution on the thermoelectric and electronic properties of delafossite Cu1−Pd FeO2 (x=0.01, 0.03 and 0.05)21Understanding the stability of MnPO 426Ferroelectricity and antiferroelectricity in CuCrO2-type multiferroic semiconductors5Temperature-dependent band gap, interband transitions, and exciton formation in transparent p -type delafossite CuCr1−x Mgx O2 films25Experimental Synthesis and Properties of Metastable CuNbN2 and Theoretical Extension to Other Ternary Copper Nitrides63Chemical Modification and Energetically Favorable Atomic Disorder of a Layered Thermoelectric Material TmCuTe2 Leading to High Performance45Sputtered metal oxide broken gap junctions for tandem solar cells17Ternary chalcogenides Cs2Zn3Se4 and Cs2Zn3Te4 : Potential p -type transparent conducting materials11Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO 2 and CuBO 2 families (B = Al, Ga, In and Sc, Y)38Atomic layer deposition of transparent semiconducting oxide CuCrO 2 thin films43Structural Optical and Electrical Transport Properties of ALD-Fabricated CuCrO2 Films12Role of strong magnetoelastic interaction in multiferroics materials: Semiconductor CuCrO2 and insulator CaMn7O120Origin of High Mobility in Molybdenum-Doped Indium Oxide89Raman spectra of p-type transparent semiconducting Cr2O3:Mg28The origin of thermally stimulated depolarization currents in multiferroic CuCrO239Electronic and surface properties of Ga-doped In2O3 ceramics36Slight Ti‐Doping‐Induced Strong Time‐Dependent Electrical Transport Behavior in CuCr 1− x Ti x O 24Semiconducting transition metal oxides285Effect of annealing temperature on structural, optoelectronic properties and interband transitions of CuCrO2 nanocrystalline films prepared by the sol–gel method29Spray pyrolysis growth of a high figure of merit, nano-crystalline, p-type transparent conducting material at low temperature42Perovskite Sr‐Doped LaCrO3 as a New p‐Type Transparent Conducting Oxide199Effect of deposition atmosphere on the structure and properties of Mg doped CuCrO2 thin films prepared by direct current magnetron sputtering20Polymorph engineering of CuMO2 (M = Al, Ga, Sc, Y) semiconductors for solar energy applications: from delafossite to wurtzite14Synthesis of nanocrystalline Cu deficient CuCrO 2 – a high figure of merit p-type transparent semiconductor78Use of delafossite oxides CuCr1-xGaxO2 nanocrystals in p-type dye-sensitized solar cell37Production and characterization of CuCrO 2 nanofibers11Spin-manipulated phonon dynamics during magnetic phase transitions in triangular lattice antiferromagnet CuCr 1−x Mg x O 2 semiconductor films8Sub-10 nm copper chromium oxide nanocrystals as a solution processed p-type hole transport layer for organic photovoltaics54Transparent conductive CuCrO 2 thin films deposited by pulsed injection metal organic chemical vapor deposition: up-scalable process technology for an improved transparency/conductivity trade-off88Conductivity improvement of CuCrO2 nanoparticles by Zn doping and their application in solid-state dye-sensitized solar cells42Characterization of transparent superconductivity Fe-doped CuCrO 2 delafossite oxide46Assessing the potential of Mg-doped Cr 2 O 3 as a novel p -type transparent conducting oxide40X-ray spectroscopic studies of the electronic structure of chromium-based p -type transparent conducting oxides21Modelling potential photovoltaic absorbers Cu 3 MCh 4 ( M = V, Nb, Ta; Ch = S, Se, Te) using density functional theory29Optoelectronic properties of delafossite structure CuCr 0.93 Mg 0.07 O 2 sputter deposited coatings32Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO 317Control of p-type conduction in Mg doped monophase CuCrO 2 thin layers24Preparation and characterization of all-oxide CuFeO2:Zn/ZnO:Al transparent heterojunction diode by using all-chemical solution deposition7A scheme of simultaneous cationic–anionic substitution in CuCrO 2 for transparent and superior p -type transport21Modulation of Defects in Semiconductors by Facile and Controllable Reduction: The Case of p-type CuCrO2 Nanoparticles23Synthèse par co-pulvérisation cathodique magnétron en condition réactive et caractérisation de revêtements d’oxydes conducteurs transparents à base de CuCrO2 de structure délafossite0P -type transparent conducting oxides412Copper(I)-Based p-Type Oxides for Photoelectrochemical and Photovoltaic Solar Energy Conversion209Hydrothermal growth of one-dimensional Ce-doped TiO2 nanostructures for solid-state DSSCs comprising Mg-doped CuCrO249Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors97Optical and structural properties of CuCrO 2 thin films on c-face sapphire substrate deposited by reactive RF magnetron sputtering19The effect of Mg-doping and Cu nonstoichiometry on the photoelectrochemical response of CuFeO 258Electronic transitions of the transparent delafossite-type CuGa 1−x Cr x O 2 system: first-principles calculations and temperature-dependent spectral experiments15Colloidal Synthesis of Bipolar Off-Stoichiometric Gallium Iron Oxide Spinel-Type Nanocrystals with Near-IR Plasmon Resonance30Enhanced p‐Type Transparent Semiconducting Characteristics for ALD‐Grown Mg‐Substituted CuCrO2 Thin Films48A first principles study of p-type defects in LaCrO 328Dielectric, optical and enhanced photocatalytic properties of CuCrO 2 nanoparticles67Facile chemical solution synthesis of p-type delafossite Ag-based transparent conducting AgCrO 2 films in an open condition43Sub-micron-sized delafossite CuCrO2 with different morphologies synthesized by nitrate–citric acid sol–gel route4P-type transparent LaCuOS semiconductor synthesized via a novel two-step solid state reaction and sulfurization process14A study of structural, electrical, and optical properties of p-type Zn-doped SnO 2 films versus deposition and annealing temperature28Photovoltaic Performance of Co-doped CuCrO2 for p-type Dye-sensitized Solar Cells Application23High-throughput search of ternary chalcogenides for p-type transparent electrodes80Thickness-dependent optoelectronic properties of CuCr0.93Mg0.07O2 thin films deposited by reactive magnetron sputtering15Preparation of CuCr2O4 nanopowders using two different chromium sources3Recent developments in complex metal oxide photoelectrodes165Thermoelectric and Transport Properties of Delafossite CuCrO2:Mg Thin Films Prepared by RF Magnetron Sputtering60Exploring the effect of hole localization on the charge–phonon dynamics of hole doped delafossite3Invisible electronics: Metastable Cu-vacancies chain defects for highly conductive p-type transparent oxide44Electronic band structures and excitonic properties of delafossites: A GW-BSE study32Quantifying the Performance of P-Type Transparent Conducting Oxides by Experimental Methods59Unconventional aspects of electronic transport in delafossite oxides64Thermal solid-phase crystallization of amorphous CuCrO2:N thin films deposited by reactive radio-frequency magnetron sputtering11Solar H 2 generation in water with a CuCrO 2 photocathode modified with an organic dye and molecular Ni catalyst75Local crystal structure and physical properties change of p-type transparent conducting oxide: CuCrO2 upon Ti-substitution12p-Type CuCrO 2 particulate films as the hole transporting layer for CH 3 NH 3 PbI 3 perovskite solar cells55Tuning the electrical properties of the p-type transparent conducting oxide Cu1−xCr1+xO2 by controlled annealing35Influence of thickness and microstructure on thermoelectric properties of Mg-doped CuCrO2 delafossite thin films deposited by RF-magnetron sputtering33Effect of Ni doping on the structural, electrical, and optical properties of transparent CuCrO2 films grown using pulsed laser deposition28Improving the electrical and optical properties of CuCrO2 thin film deposited by reactive RF magnetron sputtering in controlled N2/Ar atmosphere23Achievement of highly conductive p-type transparent NdCuOS film with Cu deficiency and effective doping10ZnO/CuCrO2 Core–Shell Nanowire Heterostructures for Self‐Powered UV Photodetectors with Fast Response97Database Screening of Ternary Chalcogenides for P-type Transparent Conductors55Etude de couches minces à base de delafossite CuCr1-xFexO2(0 ≤ x ≤ 1) dopées au Mg déposées par pulvérisation cathodique radiofréquence en vue d'optimiser leurs propriétés thermoélectriques0Structural stability and electronic properties of XTO2 (X= Cu, Ag; T=Al, Cr): An ab initio study including X vacancies and Mg doping19Developing photocathode materials for p-type dye-sensitized solar cells70Novel Computational Methods for Catalytic Applications0Stable CuCrO2 nanoparticles - ZnO fibres p-n heterostructure system for effective photocatalytic activity9Electrical conductivity, thermoelectrical properties, and EPR spectroscopy of copper chromite ceramic samples doped with magnesium6Electro- and Solar-Driven Fuel Synthesis with First Row Transition Metal Complexes912Transparent p-Type Semiconductors: Copper-Based Oxides and Oxychalcogenides92Layered CeSO and LiCeSO Oxide Chalcogenides Obtained via Topotactic Oxidative and Reductive Transformations15Ab initio Study of Anchoring Groups for CuGaO2 Delafossite-Based p-Type Dye Sensitized Solar Cells22Solution‐Processed Ternary Oxides as Carrier Transport/Injection Layers in Optoelectronics52Highly Conducting p-Type Transparent LnCuOS (Ln = La and Nd) and p–n Junction by Using Ink11Revealing the Conducting Character of the β-NiOOH Catalyst through Defect Chemistry10Assessment of thermodynamic data for CuCrO2 delafossite from calorimetric measurements9Structural and electronic properties of Fe-doped silver delafossites: AgAl1−xFexO2 and AgGa1−xFexO2 (x = 1–5%)2Effects of vacancies and p-doping on the optoelectronic properties of Cu- and Ag-based transparent conducting oxides9Mg Doped CuCrO2 as Efficient Hole Transport Layers for Organic and Perovskite Solar Cells32Unexpected magnetic behavior of Ga doped CuFe1-xGaxO2 delafossite, x = 0.04: First principle calculation and Monte Carlo simulation6Atomic layer deposition of functional multicomponent oxides71Assessing the limitations of transparent conducting oxides as thermoelectrics37Vacancy formation in 2D and 3D oxides1A New Highly Conductive Direct Gap p-Type Semiconductor La 1– x Y x CuOS for Dual Applications: Transparent Electronics and Thermoelectricity24Etude expérimentale et modélisation thermodynamique de systèmes de delafossites à base de cuivre0n-type and p-type semiconducting Cu-doped Mg (OH) 2 thin films13Tuneable interplay between atomistic defects morphology and electrical properties of transparent p-type highly conductive off-stoichiometric Cu-Cr-O delafossite thin films20Raman scattering measurements of phonon anharmonicity in the delafossite CuGa1‐xCrxO2 (0 ≤ x ≤ 1) films7The Optoelectronic Properties of p-Type Cr-Deficient Cu[Cr0.95−xMg0.05]O2 Films Deposited by Reactive Magnetron Sputtering9Computationally Driven Discovery of Layered Quinary Oxychalcogenides: Potential p-Type Transparent Conductors?33Innovative development on a p-type delafossite CuCrO2 nanoparticles based triethylamine sensor48Design strategy for p-type transparent conducting oxides68Comparative ab initio study of the structural, electronic, dynamical, and optical properties of group-I based CuMO2 (M = H, Li, Na, K, Rb)9Review in optoelectronic properties of p-type CuCrO2 transparent conductive films54

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  1. Chemical bonding in copper-based transparent conducting oxides: CuMO2(M = In, Ga, Sc)

    Journal of Physics Condensed Matter · 2011-08-03

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  2. Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory

    Journal of the American Chemical Society · 2011-08-19

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  3. Electronic structures of silver oxides

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  4. Advances in understanding of transparent conducting oxides

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  5. Structural and magnetic characterization of the complete delafossite solid solution (CuAlO2)1−x(CuCrO2)x

    Journal of Physics Condensed Matter · 2011-12-02

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  6. Nature of the Band Gap and Origin of the Conductivity of PbO 2 Revealed by Theory and Experiment

    Physical Review Letters · 2011-12-07

    David O. Scanlon, Aoife B. Kehoe, Graeme W. Watson, Martin O. Jones, William I. F. David, David J. Payne, R.G. Egdell, Peter Philip Edwards, Aron Walsh

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  7. On the possibility of p-type SnO2

    Journal of Materials Chemistry · 2012-01-01

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  8. Structural, electronic band transition and optoelectronic properties of delafossite CuGa1−xCrxO2 (0 ≤ x ≤ 1) solid solution films grown by the sol–gel method

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  9. Local structures and roles of Fe3+ and Cr3+ in p‐type semiconductor CuAlO2

    physica status solidi (b) · 2012-04-16

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  10. Ab initio Calculations of Intrinsic Point Defects in ZnSb

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  11. Characterization of delafossite-CuCrO2 thin films prepared by post-annealing using an atmospheric pressure plasma torch

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  12. Binary copper oxide semiconductors: From materials towards devices

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  13. Exchange coupling and helical spin order in the triangular lattice antiferromagnet CuCrO 2 using first principles

    Chinese Physics B · 2012-07-01

    Xue‐Fan Jiang, Liu Xian-Feng, Yin‐Zhong Wu, Jiu-Rong Han

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  14. Electronic structure of CuCrO2 thin films grown on Al2O3(001) by oxygen plasma assisted molecular beam epitaxy

    Journal of Applied Physics · 2012-12-01

    D. Shin, John S. Foord, R.G. Egdell, Aron Walsh

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  15. Computational testing of trivalent dopants in CeO 2 for improved high-κ dielectric behaviour

    Journal of Materials Chemistry C · 2012-12-05

    Patrick R. L. Keating, David O. Scanlon, Graeme W. Watson

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  16. Correlation between p -type conductivity and electronic structure of Cr-deficient CuCr 1−x O 2 ( x = 0--0.1)

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  17. Coupling between crystal structure and magnetism in transition-metal

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  18. Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory

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  19. High-performance CNT-wired MoO3 nanobelts for Li-storage application

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  20. Understanding the defect chemistry of tin monoxide

    Journal of Materials Chemistry C · 2013-01-01

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  21. Elucidating the Nature of Pseudo Jahn–Teller Distortions in LixMnPO4: Combining Density Functional Theory with Soft and Hard X-ray Spectroscopy

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  22. Mg-Doped CuFeO2 Photocathodes for Photoelectrochemical Reduction of Carbon Dioxide

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  23. CuCrO 2 Delafossite: A Stable Copper Catalyst for Chlorine Production

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  24. CuCrO2 Delafossite: A Stable Copper Catalyst for Chlorine Production

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  25. Electronic Structure of Epitaxial Sn-Doped Anatase Grown on SrTiO3(001) by Dip Coating

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  26. Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory

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  27. Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds

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  28. Electronic transition and electrical transport properties of delafossite CuCr1−xMgxO2 (0 ≤ x ≤ 12%) films prepared by the sol-gel method: A composition dependence study

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  29. Combinatorial Atmospheric Pressure Chemical Vapor Deposition of F:TiO2; the Relationship between Photocatalysis and Transparent Conducting Oxide Properties

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  30. Remarkable photocurrent of p-type dye-sensitized solar cell achieved by size controlled CuGaO 2 nanoplates

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  31. Band gap engineering of In2O3 by alloying with Tl2O3

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  32. Coupling between crystal structure and magnetism in transition-metal oxides

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  33. Defect chemistry in layered transition-metal oxides from screened hybrid density functional calculations

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  34. Low Temperature Preparation and Electrochemical Properties of LiFeSi2O6

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  35. Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe

    Journal of Materials Chemistry C · 2014-01-01

    David O. Scanlon, John Buckeridge, C. Richard A. Catlow, Graeme W. Watson

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  36. Structure, composition and properties of p-type CuCrO2 thin films

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  37. Electron affinities and ionization energies of Cu and Ag delafossite compounds: A hybrid functional study

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  38. N incorporation and associated localized vibrational modes in GaSb

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  39. Near Field Enhanced Photocurrent Generation in P-type Dye-Sensitized Solar Cells

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    Xiaobao Xu, Jin Cui, Junbo Han, Junpei Zhang, Yibo Zhang, Lin Luan, Getachew Alemu, Zhong Wang, Yan Fang Shen, Dehua Xiong, Wei Chen, Zhanhua Wei, Shihe Yang, Bin Hu, Yi‐Bing Cheng, Mingkui Wang

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  40. High-throughput calculations of alloyed delafossite materials: Application to CuGa1−xFexO2

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  41. Effects of Pd substitution on the thermoelectric and electronic properties of delafossite Cu1−Pd FeO2 (x=0.01, 0.03 and 0.05)

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  42. Understanding the stability of MnPO 4

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  43. Ferroelectricity and antiferroelectricity in CuCrO2-type multiferroic semiconductors

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  44. Temperature-dependent band gap, interband transitions, and exciton formation in transparent p -type delafossite CuCr1−x Mgx O2 films

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  45. Experimental Synthesis and Properties of Metastable CuNbN2 and Theoretical Extension to Other Ternary Copper Nitrides

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  46. Chemical Modification and Energetically Favorable Atomic Disorder of a Layered Thermoelectric Material TmCuTe2 Leading to High Performance

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  47. Sputtered metal oxide broken gap junctions for tandem solar cells

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  48. Ternary chalcogenides Cs2Zn3Se4 and Cs2Zn3Te4 : Potential p -type transparent conducting materials

    Physical Review B · 2014-11-11

    Hongliang Shi, Bayrammurad Saparov, David Joseph Singh, Athena S. Sefat, Mao‐Hua Du

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  49. Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO 2 and CuBO 2 families (B = Al, Ga, In and Sc, Y)

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