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RESEARCH PAPER · The Journal of Physical Chemistry C · 2018

Nucleation of Cun (n = 1–5) Clusters and Equilibrium Morphology of Cu Particles Supported on CeO2 Surface: A Density Functional Theory Study

Zhibo Ren, Ning Liu, Biaohua Chen, Jianwei Li, Donghai Mei

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Nucleation of Cun (n = 1–5) Clusters and Equilibrium Morphology of Cu Particles Supported on CeO2 Surface: A Density Functional Theory StudyOriginalCeO 2 (111) electronic reducibility tuned by ultra-small supported bimetallic Pt–Cu clusters25A density functional theoretical study on the stability of Pt clusters in MOF-80815Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO 2 nanoclusters3Electronic and geometric structure of the copper-ceria interface on Cu/CeO2 catalysts95A computational investigation of the adsorption of small copper clusters on the CeO 2 (110) surface10Theoretical characterization of zeolite encapsulated platinum clusters in the presence of water molecules8Morphology and crystal–plane dependence of CeO2–TiO2 catalysts: Activity and mechanism for the selective catalytic reduction of NO with NH383Promotional Effect of Pt-Doping on the Catalytic Performance of Pt−CeO2 Catalyst for CO Oxidation9Approaching C1 Reaction Mechanisms Using Combined Operando and Transient Analysis: A Case Study on Cu/CeO 2 Catalysts during the LT-Water–Gas Shift Reaction31Promotional Role of Oxygen Vacancy Defects and Cu−Ce Interfacial Sites on the Activity of Cu/CeO 2 Catalyst for CO 2 Hydrogenation to Methanol44Combustion induced synthesis of multicomponent Cu-based catalysts for autocatalytic CO hydrogenation to methanol in a three-phase reactor system10Bringing ultimate depth to scanning tunnelling microscopy: deep subsurface vision of buried nano-objects in metals1CuOx and WOx modified CeO2-TiO2 with various morphologies for the selective catalytic reduction of NOx with NH37Mechanism of methanol synthesis from CO 2 on Cu/CeO 2 and Cu/W-CeO 2 : a DFT investigation into the nature of W-doping8Revealing the Surface Structure and Morphology Evolution of Con Clusters Supported on Zro2 Surfaces0Theoretical study of the structural and energetic properties of Ce 1− x Zr x O 2 nanoparticles via molecular dynamics simulations1Revealing the surface structure and morphology evolution of Co nanoparticle supported on ZrO2 surfaces0A theoretical study on the promotion of methane activation by adsorption of O species on Cu/CeO 2 (111)1Eco-friendly synthesis of Ag/CeO 2 and CuO/CeO 2 nanocomposites using Curcuma longa extract and assessment of their antioxidant, antifungal, and cytotoxic activities33Promotional role of methanol and CO2 in carbon dioxide-rich syngas hydrogenation over slurry reactor utilizing combustion induced Cu-based catalysts0Size dependence over Cu-based catalysts for semi-hydrogenation of symmetric-structured molecules9Visualizing Size-Dependent Dynamics of CeO 2−δ {100}-Supported CoO x Nanoparticles Under CO 2 Hydrogenation Conditions23A comprehensive theoretical study on CuOx/Cu(110) catalyzed water–gas shift reaction1

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  1. CeO 2 (111) electronic reducibility tuned by ultra-small supported bimetallic Pt–Cu clusters

    Physical Chemistry Chemical Physics · 2019-01-01

    Lauro Oliver Paz‐Borbón, Fernando Buendía, Ignacio L. Garzón, Álvaro Posada-Amarillas, Francesc Illas, Jun Li

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  2. A density functional theoretical study on the stability of Pt clusters in MOF-808

    Physical Chemistry Chemical Physics · 2020-01-01

    Xiaohui Song, Donghai Mei

    Read original paper ↗ ·

  3. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO 2 nanoclusters

    Physical Chemistry Chemical Physics · 2020-01-01

    Larissa Zibordi-Besse, Lucas G. Verga, Vivianne K. Ocampo‐Restrepo, Juarez L. F. Da Silva

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  4. Electronic and geometric structure of the copper-ceria interface on Cu/CeO2 catalysts

    CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) · 2020-01-29

    Yan Zhou, Aling Chen, Jing Ning, Wenjie Shen

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  5. A computational investigation of the adsorption of small copper clusters on the CeO 2 (110) surface

    Physical Chemistry Chemical Physics · 2021-01-01

    Rui Zhang, Arunabhiram Chutia, Alexey A. Sokol, DAVID H. CHADWICK, C. Richard A. Catlow

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  6. Theoretical characterization of zeolite encapsulated platinum clusters in the presence of water molecules

    Physical Chemistry Chemical Physics · 2021-01-01

    Qianqian Bao, Weiwei Zhang, Donghai Mei

    Read original paper ↗ ·

  7. Morphology and crystal–plane dependence of CeO2–TiO2 catalysts: Activity and mechanism for the selective catalytic reduction of NO with NH3

    Chemical Engineering Journal · 2022-04-22

    Wen Luo, Jing Rong, Wanxia Zhao, Keke Kang, Lulu Long, Xiaojiang Yao

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  8. Promotional Effect of Pt-Doping on the Catalytic Performance of Pt−CeO2 Catalyst for CO Oxidation

    Catalysts · 2022-05-09

    Angran Jiang, Zhibo Ren, Yaqi Qu, Yanjun Zhang, Jianwei Li

    Read original paper ↗ ·

  9. Approaching C1 Reaction Mechanisms Using Combined Operando and Transient Analysis: A Case Study on Cu/CeO 2 Catalysts during the LT-Water–Gas Shift Reaction

    ACS Catalysis · 2022-07-20

    Marc Ziemba, Jakob Weyel, Christian Walter Hess

    Read original paper ↗ ·

  10. Promotional Role of Oxygen Vacancy Defects and Cu−Ce Interfacial Sites on the Activity of Cu/CeO 2 Catalyst for CO 2 Hydrogenation to Methanol

    ChemCatChem · 2022-10-27

    Rajan Singh, Vaibhav Pandey, Kamal Kishore Pant

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  11. Combustion induced synthesis of multicomponent Cu-based catalysts for autocatalytic CO hydrogenation to methanol in a three-phase reactor system

    Reaction Chemistry & Engineering · 2022-11-09

    Vaibhav Pandey, Kamal Kishore Pant, Sreedevi Upadhyayula

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  12. Bringing ultimate depth to scanning tunnelling microscopy: deep subsurface vision of buried nano-objects in metals

    Nanoscale Horizons · 2023-01-01

    O. Kurnosikov, M. Sicot, Émilie Gaudry, Danielle Pierre, Yuan Lü, S. Mangin

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  13. CuOx and WOx modified CeO2-TiO2 with various morphologies for the selective catalytic reduction of NOx with NH3

    Applied Surface Science · 2023-09-09

    Yue Li, Wenxiang Gao, Jie Deng, Haidi Xu, Yongdong Chen

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  14. Mechanism of methanol synthesis from CO 2 on Cu/CeO 2 and Cu/W-CeO 2 : a DFT investigation into the nature of W-doping

    Journal of Materials Chemistry A · 2023-12-14

    Nana Ma, Weiyi Cheng, Changgeng Wei, Shujun Li, Guisheng Zhang

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  15. Revealing the Surface Structure and Morphology Evolution of Con Clusters Supported on Zro2 Surfaces

    SSRN Electronic Journal · 2024-01-01

    Lili Liu, Congcong Liang, Qiang Wang, Hui Bai, Min Zhong, Bo Hou

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  16. Theoretical study of the structural and energetic properties of Ce 1− x Zr x O 2 nanoparticles via molecular dynamics simulations

    Physical Chemistry Chemical Physics · 2024-01-01

    Mylena N. Santos, Tuanan C. Lourenço, Mauricio Mocelim, Juarez L. F. Da Silva

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  17. Revealing the surface structure and morphology evolution of Co nanoparticle supported on ZrO2 surfaces

    Molecular Catalysis · 2024-09-10

    Lili Liu, Congcong Liang, Zhiliang Chai, Qiang Wang, Hui Bai, Min Zhong, Bo Hou

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  18. A theoretical study on the promotion of methane activation by adsorption of O species on Cu/CeO 2 (111)

    New Journal of Chemistry · 2025-01-01

    Meng Miao, Yang Xiang, Xin Wei, Qiaoling Xu, Maolin Sha, Qiangqiang Meng

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  19. Eco-friendly synthesis of Ag/CeO 2 and CuO/CeO 2 nanocomposites using Curcuma longa extract and assessment of their antioxidant, antifungal, and cytotoxic activities

    RSC Advances · 2025-01-01

    Khaled M. Elattar, Abeer Abdulkhalek Ghoniem, Fatimah Oleyan Al-Otibi, Abdulaziz S. Fakhouri, Yosra A. Helmy, WesamEldin I. A. Saber, Mahmoud A. E. Hassan, Ashraf A. Elsayed

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  20. Promotional role of methanol and CO2 in carbon dioxide-rich syngas hydrogenation over slurry reactor utilizing combustion induced Cu-based catalysts

    Materials Today Sustainability · 2025-01-22

    Vaibhav Pandey, Priyanshu Pratap Singh, Kamal Kishore Pant, Sreedevi Upadhyayula, Siddhartha Sengupta

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  21. Size dependence over Cu-based catalysts for semi-hydrogenation of symmetric-structured molecules

    Journal of Catalysis · 2025-05-20

    Tiantian Xiao, Zhibo Yang, Huiqing Wu, Maoshuai Li, Jing Lv, Shouying Huang, Yue Wang, Xinbin Ma

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  22. Visualizing Size-Dependent Dynamics of CeO 2−δ {100}-Supported CoO x Nanoparticles Under CO 2 Hydrogenation Conditions

    Journal of the American Chemical Society · 2025-05-21

    Kaixi Deng, Yuxi Wang, Patricia Pérez-Bailac, Wenqian Xu, Jordi Llorca, Arturo Martínez-Arias, Dmitri N. Zakharov, José A. Rodríguez

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  23. A comprehensive theoretical study on CuOx/Cu(110) catalyzed water–gas shift reaction

    Journal of Catalysis · 2025-09-01

    Yu-Bi Huang, Yingqi Wang, Gui‐Chang Wang

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