| Autor: |
Xuejing Yang, Xuejian Xu, Xiuli Hou, Peng Zhang, Jianli Mi, Beibei Xiao, Jun Huang, Catherine Stampfl |
| Jazyk: |
angličtina |
| Rok vydání: |
2021 |
| Předmět: |
|
| Zdroj: |
Catalysis Communications, Vol 149, Iss , Pp 106212- (2021) |
| Druh dokumentu: |
article |
| ISSN: |
1873-3905 |
| DOI: |
10.1016/j.catcom.2020.106212 |
| Popis: |
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 activity and reaction mechanism of CO2 reduction. Cu/Tetra-MoN2 and Pd/Tetra-MoN2 exhibited high catalytic activity, excellent methanol selectivity, and a suppressive effect for the hydrogen evolution reaction. This study not only helps to understand the mechanism of CO2 reduction, but also provides a beneficial guidance for the rational design of electrocatalysts for CO2 reduction. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
|
Full Text from ScienceDirect