Density Functional Theory Study of CO<sub>2</sub> Hydrogenation on Transition-Metal-Doped Cu(211) Surfaces

Density Functional Theory Study of CO<sub>2</sub> Hydrogenation on Transition-Metal-Doped Cu(211) Surfaces

The massive emission of CO<sub>2</sub> has caused a series of environmental problems, including global warming, which exacerbates natural disasters and human health. Cu-based catalysts have shown great activity in the reduction of CO<sub>2</sub>, but the mechanism of CO<su...

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Bibliographic Details
Main Authors: Yushan Wang, Mengting Yu, Xinyi Zhang, Yujie Gao, Jia Liu, Ximing Zhang, Chunxiao Gong, Xiaoyong Cao, Zhaoyang Ju, Yongwu Peng
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Molecules
Subjects:
CO<sub>2</sub> hydrogenation
Cu-based catalyst
Bader charge
DFT
Online Access:https://www.mdpi.com/1420-3049/28/6/2852

Internet

https://www.mdpi.com/1420-3049/28/6/2852

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