Breaking the scaling relations of effective CO2 electrochemical reduction in diatomic catalysts by adjusting the flow direction of intermediate structures

Author:

Zhang Yanwen12,Yao Zhaoqun3ORCID,Yang YiMing2,Zhai Xingwu4,Zhang Feng5,Guo Zhirong2,Liu Xinghuan1,Yang Bin1,Liang Yunxia2,Ge Guixian2ORCID,Jia Xin1ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering, State Key Laboratory Incubation Base for Green Processing of Chemical Engineering, Shihezi University, Shihezi 832003, China

2. Department of Physics, College of Science, Shihezi University, Shihezi, 832003, China

3. College of Agriculture, Shihezi University, Shihezi, 832003, China

4. Key Hefei National Laboratory for Physical Sciences at the Microscale, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui 230026, China

5. Department of Mathematics, College of Science, Shihezi University, Shihezi, 832003, China

Abstract

High-throughput calculations show 11 flow directions from *CO to *CHO on DACs. The catalyst disrupting the linear adsorption relationship is linked to multiple, not just one, flow direction.

Funder

National Natural Science Foundation of China

Xinjiang Tianchi Doctoral Project

Publisher

Royal Society of Chemistry (RSC)

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