文献类型：期刊文献

英文题名：Structural Origin: Water Deactivates Metal Oxides to CO Oxidation and Promotes Low-Temperature CO Oxidation with Metals

作者：Wang, Hai-Feng[1];Kavanagh, Richard[2];Guo, Yang-Long[1];Guo, Yun[1];Lu, Guan-Zhong[1];Hu, P.[1,2]

机构：[1]E China Univ Sci & Technol, Res Inst Ind Catalysis, Shanghai 200237, Peoples R China;[2]Queens Univ Belfast, Sch Chem & Chem Engn, Belfast BT9 5AG, Antrim, North Ireland

年份：2012

卷号：51

期号：27

起止页码：6657

外文期刊名：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

收录：;EI(收录号：20122715214575);WOS:【SCI-EXPANDED(收录号:WOS:000305987900020)】；

基金：This project was supported financially by the National Basic Research Program of China (2010CB732300). P.H. thanks the Chinese Government for the "Thousands Talents" program.

语种：英文

外文关键词：density functional calculations; heterogeneous catalysis; oxidation; transition metals; water chemistry

摘要：Test the water: Calculations have been used to investigate why water deactivates Co3O4 to CO oxidation and activates platinum group metals in the same reaction. The significant difference in the potential energy surfaces of OH on metal versus metal oxides is the origin of the different effects water has in these systems. Copyright ? 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.