Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 42(21), p. 23742-23748, 2019
DOI: 10.1039/c9cp02916h
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Metal–bipyridine complexes as electrocatalysts for the reduction of CO2: a density functional theory study
Journal article published in 2019 by
Peng Zhang 
,
Xuejing Yang,
Xiuli Hou ,
Xuejian Xu,
Beibei Xiao ,
Jun Huang ,
Catherine Stampfl
,
Xuejing Yang,
Xiuli Hou ,
Xuejian Xu,
Beibei Xiao ,
Jun Huang ,
Catherine Stampfl
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Abstract
The transition metal determines the catalytic activity of M(bpy)(CO)4. Re(bpy)(CO)4 and Mn(bpy)(CO)4 exhibit better catalytic activity due to the weaker adsorption strength of CO.