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题名: Density functional theory study of CO catalytic oxidation on Pt(111) and Pt(3)Ni(111) surfaces
作者: Su Haiyan1, 2;  Li Weixue1;  Bao Xinhe1
关键词: density functional theory ;  carbon monoxide ;  oxidation ;  platinum ;  nickle
刊名: CHINESE JOURNAL OF CATALYSIS
发表日期: 2008-08-01
卷: 29, 期:8, 页:683-686
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Applied ;  Chemistry, Physical ;  Engineering, Chemical
研究领域[WOS]: Chemistry ;  Engineering
英文摘要: CO and O adsorption and co-adsorption and CO oxidation oil Pt(111) and Pt(3)Ni(111) surfaces were studied systematically by density functional theory calculations. Compared with CO and O adsorption oil the Pt(111) surface, adsorption on the Pt3Ni(111) surface is slightly destabilized for CO but stabilized significantly for O. Both surfaces have similar reactivity for CO oxidation. The presence of surface Ni atoms stabilizes oxygen not only at the initial state but also at the transition state on the Pt(3)Ni(111) surface.
关键词[WOS]: OXYGEN REDUCTION ;  ADSORPTION ;  EXCHANGE
语种: 英语
WOS记录号: WOS:000259341000003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141145
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Liaoning, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

Recommended Citation:
Su Haiyan,Li Weixue,Bao Xinhe. Density functional theory study of CO catalytic oxidation on Pt(111) and Pt(3)Ni(111) surfaces[J]. CHINESE JOURNAL OF CATALYSIS,2008,29(8):683-686.
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