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Xiao Liu

Henan Institute of Technology

SCHOLARLY PAPERS

6

DOWNLOADS

231

TOTAL CITATIONS

4

Scholarly Papers (6)

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1.

Mo-Embedded Ir-Based Electrocatalyst for Nitrogen Reduction Reaction: A Computational Study

Downloads 75 (837,727)

Mo-Embedded Ir-Based Electrocatalyst for Nitrogen Reduction Reaction: A Computational Study

Number of pages: 25 Posted: 24 Jun 2022
Wei Song, Mengmeng Wang, Xiao Liu, Yongliang Guo, Ling Fu, Wei Zhang and Chaozheng He
Henan Institute of Technology, affiliation not provided to SSRN, Henan Institute of Technology, affiliation not provided to SSRN, Tianshui Normal University, Jilin University (JLU) and Xi'an Technological University
Downloads 42 (1,183,247)

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Nitrogen reduction reaction, Ir-Mo electrocatalysts, DFT calculations, Dope, NH3 synthesis

Mo-Embedded Ir-Based Electrocatalyst for Nitrogen Reduction Reaction: A Computational Study

Number of pages: 25 Posted: 20 Jul 2022
Wei Song, Mengmeng Wang, Xiao Liu, Yongliang Guo, Ling Fu, Wei Zhang and Chaozheng He
Henan Institute of Technology, affiliation not provided to SSRN, Henan Institute of Technology, affiliation not provided to SSRN, Tianshui Normal University, Jilin University (JLU) and Xi'an Technological University
Downloads 33 (1,311,254)

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Nitrogen reduction reaction, Ir-Mo electrocatalysts, DFT calculations, Dope, NH3 synthesis

2.

Density Functional Theory Study of N2 Adsorption and Dissociation On 3d Transition Metal Atoms Doped Ir(100) Surface

Number of pages: 24 Posted: 21 Mar 2022
Wei Song, Weichao Peng, Pengfei Ma, Xiao Liu, Yongliang Guo, Chaozheng He and Ling Fu
Henan Institute of Technology, Chinese Academy of Sciences (CAS), Xinxiang University, Henan Institute of Technology, affiliation not provided to SSRN, Xi'an Technological University and Tianshui Normal University
Downloads 44 (1,145,425)
Citation 4

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Nitrogen dissociation, electrocatalysts, Ir(100) surface, DFT calculations, Transition state

3.

Theoretical Insights into Nonmetal-Doped Graphyne-Supported Noble Metal Electrocatalysts for Nh3 Synthesis Via Nitrogen Reduction

Number of pages: 28 Posted: 07 Dec 2022
Wei Song, Zhe Fu, Pengfei Ma, Xiao Liu, Yongliang Guo, Ling Fu and Chaozheng He
Henan Institute of Technology, Xinxiang University, Xinxiang University, Henan Institute of Technology, affiliation not provided to SSRN, Tianshui Normal University and Xi'an Technological University
Downloads 38 (1,222,651)

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NH3 synthesis, single-atom electrocatalyst, DFT calculations, Doping, Graphyne

4.

Theoretical Screening of High-Performance Electrocatalysts For Nitrogen Fixation With Single Metal Atoms Anchored On Cuo

Downloads 33 (1,290,922)

Theoretical Screening of High-Performance Electrocatalysts For Nitrogen Fixation With Single Metal Atoms Anchored On Cuo

Number of pages: 22 Posted: 18 May 2025
Wei Song, Pengfei Ma, Xiao Liu, Chaozheng He and jinlong wang
Henan Institute of Technology, Xinxiang University, Henan Institute of Technology, Xi'an Technological University and Tongling University
Downloads 19 (1,513,226)

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Nitrogen reduction reaction, electrocatalysts, DFT calculations, CuO, Catalytic activity.

Theoretical Screening of High-Performance Electrocatalysts For Nitrogen Fixation With Single Metal Atoms Anchored On Cuo

Number of pages: 22 Posted: 07 May 2025
Wei Song, Pengfei Ma, Xiao Liu, Chaozheng He and jinlong wang
Henan Institute of Technology, Xinxiang University, Henan Institute of Technology, Xi'an Technological University and Tongling University
Downloads 14 (1,579,999)

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Nitrogen reduction reaction, electrocatalysts, DFT calculations, CuO, Catalytic activity.

5.

Computational Screening of Transition Metal Atom Doped C3n as Electrocatalysts for Nitrogen Fixation

Number of pages: 25 Posted: 07 Nov 2022
Wei Song, Chensi Li, Pengfei Ma, Xiao Liu, Yongliang Guo, Meng Jia, Wei Zhang and Chaozheng He
Henan Institute of Technology, affiliation not provided to SSRN, Xinxiang University, Henan Institute of Technology, affiliation not provided to SSRN, Xinxiang University, Jilin University (JLU) and Xi'an Technological University
Downloads 23 (1,411,822)

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Nitrogen reduction reaction, electrocatalysts, DFT calculations, Dope, C3N surface

6.

Theoretical Screening of High-Performance Electrocatalysts for Nitrogen Fixation with Single Metal Atoms Anchored on Cuo

Number of pages: 22 Posted: 14 Jun 2025
Wei Song, Pengfei Ma, Shaoting Lang, Xiao Liu, Chaozheng He and jinlong wang
Henan Institute of Technology, Xinxiang University, Xinxiang University, Henan Institute of Technology, Xi'an Technological University and Tongling University
Downloads 18 (1,481,165)

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nitrogen reduction reaction, electrocatalysts, DFT calculations, CuO, Catalytic activity