Kun Xie

Henan Polytechnic University

China

  • Henan Polytechnic University

SCHOLARLY PAPERS

5

DOWNLOADS

96

TOTAL CITATIONS

1

Scholarly Papers (5)

Actions:
Email selected abstracts
1.

Efficient Electrocatalytic N2fixation Over Bc3n2monolayer: A Computational Screening of Single-Atom Catalysts

Number of pages: 8 Posted: 25 Mar 2022
Chaozheng He, Kun Xie, Long Lin, Jinrong Huo, Chenxu Zhao and Lixin Li
Shaanxi University of Science and Technology - Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials, Henan Polytechnic University, Henan Polytechnic University, Xi'an Technological University, Xi’an Technological University - School of Materials Science and Chemical Engineering and Henan Polytechnic University
Downloads 27 (1,077,630)
Citation 1

Abstract:

Loading...

N2 electroreduction, TM@BC3N2, N vacancy, First-principles

2.

Adsorption of Toxic Gases by Janus Mosete Monolayers Doped with Transition Metals and Surface Defects: A First-Principles Study

Number of pages: 23 Posted: 30 Mar 2024
Chaowen Xue, Long Lin, Kun Xie, Zhanying Zhang and Wang Pengtao
Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University and Henan Polytechnic University
Downloads 26 (1,089,447)

Abstract:

Loading...

First principle, Janus MoSeTe, Gas sensing, Work function

3.

First-Principles Calculations on Rh Loaded Bc3n2 For Understanding the Mechanism of Electrocatalytic Reduction of Co2

Number of pages: 13 Posted: 10 Oct 2023
Long Lin, Kun Xie, Linghao Zhu, Chaozheng He and Zhanying Zhang
Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University, affiliation not provided to SSRN and Henan Polytechnic University
Downloads 22 (1,138,580)

Abstract:

Loading...

Keywords: Single atom catalyst, DFT, ORR/OER electrocatalysts

4.

How Does the Heteroatoms Doping Regulate the Oxygen Electrocatalysis Performance of Single Atom Catalysts?

Number of pages: 23 Posted: 11 Dec 2024
Kun Xie, Long Lin, Wang Pengtao, Pei Shi, Weiguang Huang, Yuxiang Guo, Sheng-Li Zhang, Chaozheng He and Kun Xie
Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University, affiliation not provided to SSRN, Nanjing University of Science and Technology, Shaanxi University of Science and Technology - Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials and Henan Polytechnic University
Downloads 19 (1,175,588)

Abstract:

Loading...

Oxygen Evolution Reaction, Single-Atom Catalysts, Density-functional theory, Machine learning

5.

A Dft Study of Adsorption of Libs Thermal Runaway Gases by Hfs2 Surface Decorated with Ag3 and Au3 Cluster

Number of pages: 19 Posted: 16 May 2025
Hongyan Ma, Xinchun Li, Kun Xie, Chaowen Xue, Xiao Liu and Dongbin Wang
Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University, Henan Polytechnic University and Henan Polytechnic University
Downloads 2 (1,332,374)

Abstract:

Loading...

adsorption, cluster, thermal runaway gas, biaxial strain, electronic property