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RESEARCH PAPER · Journal of Physics Condensed Matter · 2011

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

Kate G. Godinho, Benjamin J. Morgan, Jeremy P. Allen, David O. Scanlon, Graeme W. Watson

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Chemical bonding in copper-based transparent conducting oxides: CuMO2(M = In, Ga, Sc)OriginalCu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory81Understanding the defect chemistry of tin monoxide89Study of band-structure, optical properties and native defects inAIBIIIO2(AI= Cu or Ag,BIII= Al, Ga or In) delafossites61First-Principles Study on the Elastic and Electronic Properties of 2H-CuGaO23Multiferroic CuCrO2 under high pressure: In situ X-ray diffraction and Raman spectroscopic studies40Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO 2 and CuBO 2 families (B = Al, Ga, In and Sc, Y)38The electronic structure of sulvanite structured semiconductors Cu 3 MCh 4 (M = V, Nb, Ta; Ch = S, Se, Te): prospects for optoelectronic applications76The improvement of hole transport property and optical band gap for amorphous Cu2O films39First principles calculations of ternary wurtzite β-CuGaO226First-Principles Study of CuGaO 2 Polymorphs: Delafossite α-CuGaO 2 and Wurtzite β-CuGaO 235Copper(I)-Based p-Type Oxides for Photoelectrochemical and Photovoltaic Solar Energy Conversion209Valence band modification of Cr 2 O 3 by Ni-doping: creating a high figure of merit p-type TCO60Evaluating Charge Carrier Transport and Surface States in CuFeO2 Photocathodes164Graphene-Anchored p-Type CuBO2Nanocrystals for a Transparent Cold Cathode12High‐Pressure Synthesis and Single‐Crystal Structure Elucidation of the Indium Oxide‐Borate In4O2B2O74Tin-incorporated nanostructured copper indium oxide delafossite thin films: Structural, electrical and optical analysis14Copper Delafossites under High Pressure—A Brief Review of XRD and Raman Spectroscopic Studies38Thermoelectric properties of Mn doped BiCuSeO15The first-principle study on the formation energies of Be, Mg and Mn doped CuInO23Optical properties and charge transport of textured Sc2O3 thin films obtained by atomic layer deposition25Comprehensive first-principles study of AgGaO2 and CuGaO2 polymorphs7A facile synthesis of single phase delafossite CuBO2 powders5Calcium incorporated copper indium oxide thin films - a promising candidate for transparent electronic applications12Photocatalytic, structural and optical properties of mixed anion solid solutions Ba 3 Sc 2−x In x O 5 Cu 2 S 2 and Ba 3 In 2 O 5 Cu 2 S 2−y Se y13A Temperature Sensor Based on Al/p-Si/CuCdO2/Al Diode for Low Temperature Applications10Solid-State NMR of Spin-9/2 Nuclei 115In and 209Bi in Functional Inorganic Complex Oxides0Solid‐state nuclear magnetic resonance of spin‐9/2 nuclei 115 In and 209 Bi in functional inorganic complex oxides8A P-type mid-infrared transparent semiconductor LaSe2 film with small hole effective mass and high carrier concentration13Electronic structure of p-type transparent conducting oxide CuAlO214Strain related new sciences and devices in low-dimensional binary oxides8Limits to Hole Mobility and Doping in Copper Iodide42Tuning optical and electrical characteristics through Cu doping in spray pyrolysis fabricated Cr2O3 thin films13Effect of Changing and Combining Trivalent Metals in the Structural and Electronic Properties of Cu-Based Crystal Delafossite Materials3Photodetection and stability of p-CuInO2/n-GaN epitaxial heterojunction with a Cu2In2O5 passivation layer1Comprehensive evaluation of recombination confined performance of CuGaO2 for solar cell application12p-CuGaO2/β-Ga2O3 interfaces: A high-throughput approach for interface prediction and generation for power device applications10Electronic band structure of cuprous delafossite Cu M O 2 ( M = Al , Ga, In): A challenging case for numerically accurate G W calculations3Electrocatalytic Activity of Delafossite CuCoO2 for Alkaline Oxygen Evolution Reaction and Acidic Hydrogen Evolution Reaction2

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

    Physical Chemistry Chemical Physics · 2013-01-01

    Aoife B. Kehoe, Douglas J. Temple, Graeme W. Watson, David O. Scanlon

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  2. Understanding the defect chemistry of tin monoxide

    Journal of Materials Chemistry C · 2013-01-01

    Jeremy P. Allen, David O. Scanlon, Louis F. J. Piper, Graeme W. Watson

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  3. Study of band-structure, optical properties and native defects inAIBIIIO2(AI= Cu or Ag,BIII= Al, Ga or In) delafossites

    Semiconductor Science and Technology · 2013-04-30

    Mukesh Kumar, Hanyue Zhao, Clas Persson

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  4. First-Principles Study on the Elastic and Electronic Properties of 2H-CuGaO2

    Applied Mechanics and Materials · 2013-11-08

    Wen Ting Liu, Zheng Tang Liu

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  5. Multiferroic CuCrO2 under high pressure: In situ X-ray diffraction and Raman spectroscopic studies

    Journal of Applied Physics · 2014-10-02

    Alka B. Garg, Ajay Kumar Mishra, K. K. Pandey, Surinder M. Sharma

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  6. 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)

    RSC Advances · 2014-12-02

    Maria Francesca Iozzi, Ponniah Vajeeston, Ravindran Vidya, P. Ravindran, Helmer Fjellvåg

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  7. The electronic structure of sulvanite structured semiconductors Cu 3 MCh 4 (M = V, Nb, Ta; Ch = S, Se, Te): prospects for optoelectronic applications

    Journal of Materials Chemistry C · 2015-01-01

    Aoife B. Kehoe, David O. Scanlon, Graeme W. Watson

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  8. The improvement of hole transport property and optical band gap for amorphous Cu2O films

    Journal of Alloys and Compounds · 2015-06-20

    Qin Huang, Jin Chun Li, Xiaofang Bi

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  9. First principles calculations of ternary wurtzite β-CuGaO2

    Journal of Applied Physics · 2016-03-01

    Issei Suzuki, Hiraku Nagatani, Masao Kita, Yuki Iguchi, Chiyuki Sato, Hiroshi Yanagi, Naoki Ohashi, Takahisa Omata

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  10. First-Principles Study of CuGaO 2 Polymorphs: Delafossite α-CuGaO 2 and Wurtzite β-CuGaO 2

    Inorganic Chemistry · 2016-07-20

    Issei Suzuki, Hiraku Nagatani, Masao Kita, Yuki Iguchi, Chiyuki Sato, Hiroshi Yanagi, Naoki Ohashi, Takahisa Omata

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  11. Copper(I)-Based p-Type Oxides for Photoelectrochemical and Photovoltaic Solar Energy Conversion

    Chemistry of Materials · 2016-08-04

    Ian Sullivan, Brandon Zoellner, Paul A. Maggard

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  12. Valence band modification of Cr 2 O 3 by Ni-doping: creating a high figure of merit p-type TCO

    Journal of Materials Chemistry C · 2017-01-01

    Elisabetta Arca, Aoife B. Kehoe, Tim D. Veal, Aleksey Shmeliov, David O. Scanlon, Clive Downing, Dermot Daly, Daragh Mullarkey, Igor V Shvets, Valeria Nicolosi, Graeme W. Watson

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  13. Evaluating Charge Carrier Transport and Surface States in CuFeO2 Photocathodes

    Chemistry of Materials · 2017-05-16

    Mathieu S. Prévot, Xavier A. Jeanbourquin, Wiktor S. Bourée, Fatwa F. Abdi, Dennis Friedrich, Roel van de Krol, Néstor Guijarro, Florian Le Formal, Kevin Sivula

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  14. Graphene-Anchored p-Type CuBO2Nanocrystals for a Transparent Cold Cathode

    Langmuir · 2017-08-24

    Saswati Santra, N.S. Das, Nripen Besra, Debipriya Banerjee, Kalyan Kumar Chattopadhyay

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  15. High‐Pressure Synthesis and Single‐Crystal Structure Elucidation of the Indium Oxide‐Borate In4O2B2O7

    Zeitschrift für anorganische und allgemeine Chemie · 2017-10-17

    Teresa S. Ortner, Daniela Vitzthum, Günter Heymann, Hubert Huppertz

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  16. Tin-incorporated nanostructured copper indium oxide delafossite thin films: Structural, electrical and optical analysis

    Journal of Alloys and Compounds · 2018-02-27

    Bindu G. Nair, Julie Ann Joseph, Zachary Kellner, Vikash Sharma, Stephen K. Remillard, Paul A. DeYoung, Gunadhor Singh Okram, V. Ganesan, Rachel Reena Philip

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  17. Copper Delafossites under High Pressure—A Brief Review of XRD and Raman Spectroscopic Studies

    Crystals · 2018-06-19

    Alka B. Garg, Rekha Rao

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  18. Thermoelectric properties of Mn doped BiCuSeO

    Materials Research Express · 2018-12-07

    Sayan Das, Suneesh Meledath Valiyaveettil, Kuei‐Hsien Chen, Satyam Suwas, Ramesh Chandra Mallik

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  19. The first-principle study on the formation energies of Be, Mg and Mn doped CuInO2

    Acta Physica Sinica · 2019-01-01

    Man Mo, Jishu Zeng, Hao He, Liang Zhang, Long Du, Zhi‐Jie Fang

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  20. Optical properties and charge transport of textured Sc2O3 thin films obtained by atomic layer deposition

    Applied Surface Science · 2019-01-31

    Mikhail S. Lebedev, В. Н. Кручинин, Mikhail Yu. Afonin, Ilya V. Korolkov, Аndrey А. Saraev, Andrei A. Gismatulin, V. A. Gritsenko

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  21. Comprehensive first-principles study of AgGaO2 and CuGaO2 polymorphs

    Journal of the Ceramic Society of Japan · 2019-05-31

    Issei Suzuki, Yuki Iguchi, Chiyuki Sato, Hiroshi Yanagi, Naoki Ohashi, Takahisa Omata

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  22. A facile synthesis of single phase delafossite CuBO2 powders

    Materials Research Express · 2019-07-11

    Wasif Zia, Khurram Siraj, Hafsa Faiz, Atika Firdos

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  23. Calcium incorporated copper indium oxide thin films - a promising candidate for transparent electronic applications

    Thin Solid Films · 2019-11-01

    Bindu G. Nair, Hilal Rahman, Aijo John K, K. Keerthi, Sadasivan Shaji, Gunadhor Singh Okram, Vikash Sharma, Rachel Reena Philip

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  24. Photocatalytic, structural and optical properties of mixed anion solid solutions Ba 3 Sc 2−x In x O 5 Cu 2 S 2 and Ba 3 In 2 O 5 Cu 2 S 2−y Se y

    Journal of Materials Chemistry A · 2020-01-01

    Gregory J. Limburn, Matthew J. P. Stephens, Benjamin A. D. Williamson, Antonio Iborra-Torres, David O. Scanlon, Geoffrey Hyett

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  25. A Temperature Sensor Based on Al/p-Si/CuCdO2/Al Diode for Low Temperature Applications

    Journal of Electronic Materials · 2020-02-11

    A. Dere, A. TataroŸğlu, Abdullah Godran Al-Sehemi, Haydar Eren, M. Soylu, Ahmed A. Al‐Ghamdi, Fahrettin YAKUPHANOĞLU

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  26. Solid-State NMR of Spin-9/2 Nuclei 115In and 209Bi in Functional Inorganic Complex Oxides

    ChemRxiv · 2021-05-25

    Kent J. Griffith, Fenghua Ding, Steven Flynn

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  27. Solid‐state nuclear magnetic resonance of spin‐9/2 nuclei 115 In and 209 Bi in functional inorganic complex oxides

    Magnetic Resonance in Chemistry · 2021-06-03

    Kent J. Griffith, Fenghua Ding, Steven Flynn

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  28. A P-type mid-infrared transparent semiconductor LaSe2 film with small hole effective mass and high carrier concentration

    Applied Physics Letters · 2021-06-28

    Gang Gao, Lijia Tong, Lei Yang, Chunqiang Sun, Liangge Xu, Fei Xia, Fangjuan Geng, Jingjing Xue, Hao Gong, Jiaqi Zhu

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  29. Electronic structure of p-type transparent conducting oxide CuAlO2

    Current Applied Physics · 2022-04-20

    Mohamed Salah, Joonseok Yoon, Mohamed Mahmoud El-desoky, Z. Hussain, Honglyoul Ju, Sung‐Kwan Mo

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  30. Strain related new sciences and devices in low-dimensional binary oxides

    Nano Energy · 2022-10-26

    Jie Jiang, Saloni Pendse, Lifu Zhang, Jian Zhong Shi

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  31. Limits to Hole Mobility and Doping in Copper Iodide

    Chemistry of Materials · 2023-10-25

    Joe Willis, Romain Claes, Qi Zhou, Matteo Giantomassi, Gian‐Marco Rignanese, Geoffroy Hautier, David O. Scanlon

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  32. Tuning optical and electrical characteristics through Cu doping in spray pyrolysis fabricated Cr2O3 thin films

    Optical Materials · 2024-01-23

    Mohsin Ishtiaq, Dilawar Ali, Riaz Ahmad, Iqra Muneer, Taj Muhammad Khan

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  33. Effect of Changing and Combining Trivalent Metals in the Structural and Electronic Properties of Cu-Based Crystal Delafossite Materials

    Crystals · 2024-04-29

    Joeluis Cerutti Torres, Pablo Sánchez-Palencia, Jose Carlos Jimenez-Saez, P. Wahnón, Pablo Palacios

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  34. Photodetection and stability of p-CuInO2/n-GaN epitaxial heterojunction with a Cu2In2O5 passivation layer

    Optical Materials · 2024-07-16

    Haiyuan Lyu, Bo Feng, Hongdi Xiao

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  35. Comprehensive evaluation of recombination confined performance of CuGaO2 for solar cell application

    Physica Scripta · 2024-09-12

    Srinivasan Vijayakumar, Atul Kumar, R Radhika, Ramachandran Thandaiah Prabu

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  36. p-CuGaO2/β-Ga2O3 interfaces: A high-throughput approach for interface prediction and generation for power device applications

    Materials Today Advances · 2025-03-24

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  37. Electronic band structure of cuprous delafossite Cu M O 2 ( M = Al , Ga, In): A challenging case for numerically accurate G W calculations

    Physical review. B./Physical review. B · 2025-03-28

    Min‐Ye Zhang, Hong Yi Jiang

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  38. Electrocatalytic Activity of Delafossite CuCoO2 for Alkaline Oxygen Evolution Reaction and Acidic Hydrogen Evolution Reaction

    Materials · 2026-02-18

    Seong-Yong Kim, Dongjin Kim, Yun‐Hyuk Choi

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