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Prof. Dr. Xian-Yong Pang, Chang Liu, Dui-Chun Li, Prof. Cun-Qin Lv and Prof. Dr. Gui-Chang Wang  Structure Sensitivity of CO Oxidation on Co3O4: A DFT Study ChemPhysChem 14

Article first published online: 23 NOV 2012 | DOI: 10.1002/cphc.201200807

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Different mechanisms of CO oxidation depending on the surface structure of Co3O4 are found by DFT calculations, which also show that CO oxidation on Co3O4 (110)-B has higher activity than that on Co3O4(111)-B (see reaction energy profiles in the picture), that is, it is a structure sensitive reaction.

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