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RESEARCH PAPER · Physical Chemistry Chemical Physics · 2018

Atomistic determination of the surface structure of Cu 2 O(111): experiment and theory

Rui Zhang, Liang Li, Laszlo Frazer, Kelvin B. Chang, Kenneth Reinhard Poeppelmeier, Maria K. Y. Chan, Jeffrey R. Guest

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Atomistic determination of the surface structure of Cu 2 O(111): experiment and theoryOriginalGrowing Ultrathin Cu2O Films on Highly Crystalline Cu(111): A Closer Inspection from Microscopy and Theory16Solution-processed Cu2−xO-Fe2O3 composites as novel supercapacitor anodic materials22Copper Oxidation on Pt(111)—More than a Surface Oxide?16A study on the acidity of sulfated CuO layers grown by surface reconstruction of Cu 2 O with specific exposed facets10Investigation on Cu2O Surface Reconstruction and Catalytic Performance of NH3-SCO by Experimental and DFT Studies51Effect of copper substrate oxidation and crystals orientations on nucleation of triangular graphene domains6Facet-Specific Photocatalytic Activity Enhancement of Cu2O Polyhedra Functionalized with 4-Ethynylanaline Resulting from Band Structure Tuning61Influence of surface defect density on the ultrafast hot carrier relaxation and transport in ${\hbox {Cu}}_2 {\hbox {O}}$ photoelectrodes27Potential‐Dependent Morphology of Copper Catalysts During CO 2 Electroreduction Revealed by In Situ Atomic Force Microscopy253Potentialabhängige Morphologie von Kupferkatalysatoren während der Elektroreduktion von CO2, ermittelt durch In‐situ‐Rasterkraftmikroskopie9Anti-corrosion performance of covalent layer-by-layer assembled films via click chemistry reaction on the copper surface32First principles probes of electronic and optical behaviours of zinc doped cuprous oxide for catalysis applications8Nanopyramidal Reconstruction of Cu2O(111): A Long-Standing Surface Puzzle Solved by STM and DFT36High-Pressure Oxidation of Copper on Au(111)—A Route toward Bulk-like Cuprous Oxide Films16Plasma-assisted oxidation of Cu(100) and Cu(111)32The effects of substitutional doping on Cu vacancy formation in Cu 2 O(111): a density functional theory study16Unraveling CO adsorption on model single-atom catalysts350Atomic Structure of the Cu2O(111) Surface: A Transmission Electron Microscopy and DFT + U Study11Solidification Process, Mechanical and Electrochemical Properties of Amorphous and Nanocrystalline Iron Alloy for a Power System Application1Termination-dependent electronic structure and atomic-scale screening behavior of the Cu 2 O(111) surface10Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in Cu2 O184-Nitrophenylacetylene-modified Cu 2 O cubes and rhombic dodecahedra showing superior photocatalytic activity through surface band structure modulation17Photocatalytic activity enhancement of Cu 2 O cubes functionalized with 2-ethynyl-6-methoxynaphthalene through band structure modulation27High-resolution nanosecond spectroscopy of even-parity Rydberg excitons in Cu2O16Ingrained: An Automated Framework for Fusing Atomic‐Scale Image Simulations into Experiments22Atomic View on the (111) Surface of a Cu2O Single Crystal: Reconstruction, Electronic Properties, and Band-Bending Effects8A Density Functional Theory and Microkinetic Study of Acetylene Partial Oxidation on the Perfect and Defective Cu2O (111) Surface Models5Defect-induced electronic modification and surface reconstruction of catalysts during water oxidation process66Understanding the role of oxygen-vacancy defects in Cu2O(111) from first-principle calculations21Using adatoms to tune the band structures of Cu2O surfaces for photocatalytic applications20Critical and controversial issues pertaining to the growth and properties of Cu2O in the context of energy conversion7Understanding atomic interaction between cuprous oxide film and aggressive chloride solution13A surface science view onto cuprous oxide: Growth, termination, electronic structure and optical response34Investigation of Pyridine as a Cocatalyst for the CO 2 Reduction Reaction on the Cu 2 O Cathode Surface17Electrocatalytic Pathways and Efficiency of Cuprous Oxide (Cu2O) Surfaces in CO2 Electrochemical Reduction (CO2ER) to Methanol: A Computational Approach5Augmentation of Universal Potentials for Broad Applications16Photothermally inducing SnS2 phase transition in Cu2O@CuS@SnS2 core–shell heterostructure to trigger efficient photocatalytic CO2 reduction21Bio-derived ionic liquids for iron surface protection: A multiscale investigation of cholinium lignin-based inhibitors2Defect-Rich Cu 2 O Nanospheres as a Fenton-Like Catalyst for Cu(III) Generation: Enhanced Inactivation of Antibiotic-Resistant Bacteria and Genes12Pulsed laser-induced crystallization of amorphous Cu2O thin films for enhancedelectro-optical properties and advanced communication technologies1A striking interfacial interaction between Cu2O and black phosphorus boosts solar-to-hydrogen conversion0Machine learning study of surface reconstructions of the Cu 2 O ( 111 ) surface0Cu 2 O NPs as Visible-Light Photosensitizer Impregnated on Self-Doped TiO 2 –PTiW 11 O 40 p – n Heterojunctions for Photo-, Electro-, and Photoelectrochemical Hydrogen Production1Enhancing Cu₂O nanoparticle stability with curcumin: a promising photocathode material for dye-sensitised solar cells2A practical grand canonical framework for electrocatalytic modelling with potential-dependent interfacial thermodynamics0Adhesion energy of phosphorene on different pristine and oxidized metallic substrates0Phase-selective magnetron sputtering deposition of copper oxide polymorphs: Unraveling the superiority of Cu2O over metastable Cu4O3 in photoelectrochemical water splitting1Surface morphology and oxide phases of Cu pads in vias under thermal annealing in air0

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  1. Growing Ultrathin Cu2O Films on Highly Crystalline Cu(111): A Closer Inspection from Microscopy and Theory

    The Journal of Physical Chemistry C · 2019-05-02

    Trinh Thi Ly, Taehun Lee, Sanghwa Kim, Yun-Jae Lee, Ganbat Duvjir, Kyu‐Ha Jang, Krisztián Palotás, Se‐Young Jeong, Aloysius Soon, Jungdae Kim

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  2. Solution-processed Cu2−xO-Fe2O3 composites as novel supercapacitor anodic materials

    Electrochimica Acta · 2019-08-30

    Hwai‐En Lin, Yuta Kubota, Yuta Katayanagi, Tetsuo Kishi, Tetsuji Yano, Nobuhiro Matsushita

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  3. Copper Oxidation on Pt(111)—More than a Surface Oxide?

    The Journal of Physical Chemistry C · 2019-10-10

    Alexander Gloystein, Niklas Nilius

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  4. A study on the acidity of sulfated CuO layers grown by surface reconstruction of Cu 2 O with specific exposed facets

    Catalysis Science & Technology · 2020-01-01

    Yanan Wu, Xin Chen, Daofeng Huang, Li Zhang, Yuanhang Ren, Gangfeng Tang, Xueying Chen, Bin Yue, Heyong He

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  5. Investigation on Cu2O Surface Reconstruction and Catalytic Performance of NH3-SCO by Experimental and DFT Studies

    ACS Applied Energy Materials · 2020-03-06

    Xiaoyu Zhang, Hui Wang, Linlin Meng, Xiaowa Nie, Zhenping Qu

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  6. Effect of copper substrate oxidation and crystals orientations on nucleation of triangular graphene domains

    Vacuum · 2020-03-08

    Salim Al-Kamiyani, TARIQ M. G. MOHIUDDIN

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  7. Facet-Specific Photocatalytic Activity Enhancement of Cu2O Polyhedra Functionalized with 4-Ethynylanaline Resulting from Band Structure Tuning

    ACS Central Science · 2020-06-04

    Tzu-Ning Chen, Jui‐Cheng Kao, Xin-Yan Zhong, Shang-Ju Chan, Anindya Sundar Patra, Yu-Chieh Lo, Michael H. Huang

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  8. Influence of surface defect density on the ultrafast hot carrier relaxation and transport in $${\hbox {Cu}}_2 {\hbox {O}}$$ photoelectrodes

    Scientific Reports · 2020-06-30

    Lisa Grad, Zbyněk Novotný, Matthias Hengsberger, Jürg Osterwalder

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  9. Potential‐Dependent Morphology of Copper Catalysts During CO 2 Electroreduction Revealed by In Situ Atomic Force Microscopy

    Angewandte Chemie International Edition · 2020-10-09

    Georg Hermann Simon, Christopher S. Kley, Beatriz Roldán Cuenya

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  10. Potentialabhängige Morphologie von Kupferkatalysatoren während der Elektroreduktion von CO2, ermittelt durch In‐situ‐Rasterkraftmikroskopie

    Angewandte Chemie · 2020-10-09

    Georg Hermann Simon, Christopher S. Kley, Beatriz Roldán Cuenya

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  11. Anti-corrosion performance of covalent layer-by-layer assembled films via click chemistry reaction on the copper surface

    Corrosion Science · 2020-10-15

    Daquan Zhang, Jiamin Lu, Cheng Wu Shi, Kai Zhang, Jin Chun Li, Lixin Gao

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  12. First principles probes of electronic and optical behaviours of zinc doped cuprous oxide for catalysis applications

    Journal of Physics and Chemistry of Solids · 2020-11-25

    Alanoud A. Aloufi, Fatemah M. Barakat, Tahani A. Alrebdi, Fatemah Homoud Alkallas, A.K. Kushwaha, Hadi Rasam AlQahtani, M. El-Amine Monir, A. Laref

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  13. Nanopyramidal Reconstruction of Cu2O(111): A Long-Standing Surface Puzzle Solved by STM and DFT

    The Journal of Physical Chemistry C · 2020-11-28

    Alexander Gloystein, Niklas Nilius, Jacek Goniakowski, Claudine Noguera

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  14. High-Pressure Oxidation of Copper on Au(111)—A Route toward Bulk-like Cuprous Oxide Films

    The Journal of Physical Chemistry C · 2020-12-18

    Alexander Gloystein, Niklas Nilius

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  15. Plasma-assisted oxidation of Cu(100) and Cu(111)

    Chemical Science · 2021-01-01

    Sebastian Kunze, Liviu Cristian Tănase, Maurício J. Prieto, Philipp Grosse, Fabian Scholten, Lucas de Souza Caldas, Dennis van Vörden, Thomas Schmidt, Beatriz Roldán Cuenya

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  16. The effects of substitutional doping on Cu vacancy formation in Cu 2 O(111): a density functional theory study

    Physical Chemistry Chemical Physics · 2021-01-01

    Ellaine Rose A. Beronio, Ivy R. Colambo, Allan Abraham B. Padama

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  17. Unraveling CO adsorption on model single-atom catalysts

    Science · 2021-01-21

    Jan Hulva, Matthias Meier, Roland Bliem, Zdeněk Jakub, Florian Kraushofer, Michael Schmid, Ulrike Diebold, Cesare Franchini, Gareth S. Parkinson

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  18. Atomic Structure of the Cu2O(111) Surface: A Transmission Electron Microscopy and DFT + U Study

    physica status solidi (b) · 2021-07-01

    Wandong Xing, Fanyan Meng, Rong Yu

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  19. Solidification Process, Mechanical and Electrochemical Properties of Amorphous and Nanocrystalline Iron Alloy for a Power System Application

    International Journal of Electrochemical Science · 2021-07-01

    Xiaozhong Xu, Jiangang Li, Jiajie Yu, Xiaoqin Jiang, Gan Shao

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  20. Termination-dependent electronic structure and atomic-scale screening behavior of the Cu 2 O(111) surface

    Journal of Physics Condensed Matter · 2021-09-09

    Alexander Gloystein, Niklas Nilius, Claudine Noguera, Jacek Goniakowski

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  21. Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in Cu2 O

    Physical Review Research · 2021-12-27

    Chiara Ricca, Lisa Grad, Matthias Hengsberger, Jürg Osterwalder, Ulrich Aschauer

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  22. 4-Nitrophenylacetylene-modified Cu 2 O cubes and rhombic dodecahedra showing superior photocatalytic activity through surface band structure modulation

    Journal of Materials Chemistry C · 2022-01-01

    Shang-Ju Chan, Jui‐Cheng Kao, Po‐Jung Chou, Yu‐Chieh Lo, Jyh‐Pin Chou, Michael H. Huang

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  23. Photocatalytic activity enhancement of Cu 2 O cubes functionalized with 2-ethynyl-6-methoxynaphthalene through band structure modulation

    Journal of Materials Chemistry C · 2022-01-01

    Anindya Sundar Patra, Jui‐Cheng Kao, Shang-Ju Chan, Po‐Jung Chou, Jyh‐Pin Chou, Yu‐Chieh Lo, Michael H. Huang

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  24. High-resolution nanosecond spectroscopy of even-parity Rydberg excitons in Cu2O

    Physical review. B./Physical review. B · 2022-03-31

    Joshua Rogers, Liam A. P. Gallagher, Danielle Pizzey, Jon D. Pritchett, Charles S. Adams, M. P. A. Jones, Chris Hodges, W. Langbein, Stephen A. Lynch

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  25. Ingrained: An Automated Framework for Fusing Atomic‐Scale Image Simulations into Experiments

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  26. Atomic View on the (111) Surface of a Cu2O Single Crystal: Reconstruction, Electronic Properties, and Band-Bending Effects

    The Journal of Physical Chemistry C · 2022-09-26

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  27. A Density Functional Theory and Microkinetic Study of Acetylene Partial Oxidation on the Perfect and Defective Cu2O (111) Surface Models

    Molecules · 2022-10-10

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  28. Defect-induced electronic modification and surface reconstruction of catalysts during water oxidation process

    Chemical Engineering Journal · 2022-11-10

    Gracita M. Tomboc, Sandhya Venkateshalu, Quang‐Tung Ngo, Songa Choi, Bruno Georges Pollet, Hangil Lee, Kwangyeol Lee

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  29. Understanding the role of oxygen-vacancy defects in Cu2O(111) from first-principle calculations

    Electronic Structure · 2023-06-22

    Nanchen Dongfang, Yasmine S. Al-Hamdani, Marcella Iannuzzi

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  30. Using adatoms to tune the band structures of Cu2O surfaces for photocatalytic applications

    Materials Today Physics · 2023-09-01

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  31. Critical and controversial issues pertaining to the growth and properties of Cu2O in the context of energy conversion

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    Eleni Prountzou, Andreas Ioannou, Dimitrios Sapalidis, E. Pavlidou, M. Katsikini, Andreas Othonos, Matthew Zervos

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  32. Understanding atomic interaction between cuprous oxide film and aggressive chloride solution

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  33. A surface science view onto cuprous oxide: Growth, termination, electronic structure and optical response

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  34. Investigation of Pyridine as a Cocatalyst for the CO 2 Reduction Reaction on the Cu 2 O Cathode Surface

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  35. Electrocatalytic Pathways and Efficiency of Cuprous Oxide (Cu2O) Surfaces in CO2 Electrochemical Reduction (CO2ER) to Methanol: A Computational Approach

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  37. Photothermally inducing SnS2 phase transition in Cu2O@CuS@SnS2 core–shell heterostructure to trigger efficient photocatalytic CO2 reduction

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  40. Pulsed laser-induced crystallization of amorphous Cu2O thin films for enhancedelectro-optical properties and advanced communication technologies

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  42. Machine learning study of surface reconstructions of the Cu 2 O ( 111 ) surface

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  43. Cu 2 O NPs as Visible-Light Photosensitizer Impregnated on Self-Doped TiO 2 –PTiW 11 O 40 p – n Heterojunctions for Photo-, Electro-, and Photoelectrochemical Hydrogen Production

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  44. Enhancing Cu₂O nanoparticle stability with curcumin: a promising photocathode material for dye-sensitised solar cells

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