Transition metal-doped tetra-MoN2 monolayers as an electrochemical catalyst for CO2 reduction: A density functional theory study

Transition metal-doped tetra-MoN2 monolayers as an electrochemical catalyst for CO2 reduction: A density functional theory study

The electrochemical reduction of CO2 on transition metal-doped Tetra-MoN2 monolayers (M/Tetra-MoN2, M = Fe, Co, Ni, Cu, Rh, Pd or Pt) has been studied based on density functional theory. It was found that the doped transition metal atom in M/Tetra-MoN2 plays an important role in the catalytic activi...

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Bibliographic Details
Main Authors: Xuejing Yang, Xuejian Xu, Xiuli Hou, Peng Zhang, Jianli Mi, Beibei Xiao, Jun Huang, Catherine Stampfl
Format: Article
Language:English
Published: Elsevier 2021-01-01
Series:Catalysis Communications
Subjects:
CO2 reduction
Molybdenum nitride
Density functional theory
Electrocatalysis
Online Access:http://www.sciencedirect.com/science/article/pii/S1566736720302880

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http://www.sciencedirect.com/science/article/pii/S1566736720302880

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