Adsorption of CO on the oxygen defective LaCoO 3 (0 0 1) surface: A first-principles study

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Title
Adsorption of CO on the oxygen defective LaCoO 3 (0 0 1) surface: A first-principles study
Authors
Keywords
DFT calculation, Oxygen vacancy, Electron transfer, Adsorption energy
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 115, Issue -, Pages 154-157
Publisher
Elsevier BV
Online
2016-02-02
DOI
10.1016/j.commatsci.2015.12.049

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