Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 11(20), p. 7508-7513
DOI: 10.1039/c7cp08578h
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A computational study of supported Cu-based bimetallic nanoclusters for CO oxidation
Journal article published in 2018 by
Yulu Liu,
Hao Li,
Wanglai Cen 
,
Jianjun Li,
Zhengming Wang,
Graeme Henkelman
,
Jianjun Li,
Zhengming Wang,
Graeme Henkelman
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Abstract
In this study, we used DFT calculations to investigate the bi-functional nature of Cu-based alloy nanoclusters (NCs) supported on CeO2(111) for CO oxidation.