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学科主题: 物理化学
题名: Origin of the different selectivity between Cu(111) and Pd(111) on methanol steam reforming reaction
作者: Gu XK(顾向奎) ;  Li WX(李微雪)
会议名称: The 2nd US-China Partnership workshop on Surface Science and Heterogeneous Catalysis
会议日期: 2009-6-14
出版日期: 2009-06-14
会议地点: 中国
其他题名: Cu(111)和Pd(111)上甲醇重整反应的不同选择性
通讯作者: 李微雪
部门归属: 五室
主办者: UCSB-DICP
摘要: Hydrogen production from methanol steam reforming (MSR) is attracting widespread attention in providing hydrogen for using fuel cells. Cu-based catalysts for MSR (CH3OH+H2O→CO2+H2) , nearly completely transform methanol to CO2 and H2, have different selectivity from catalysts, which transform methanol to CO and H2. Takezawa and Iwasa suggested that the different catalytic performances between Cu-based catalysts and Group VIII metals was attributed to the different reactivity of HCHO species formed in MSR. Although many reports suggested that the mechanisms of MSR on Cu-based catalysts was methanol decomposition followed by water gas shift reaction or methyl formate intermediates formed in MSR reacting with H2O to produce CO2 directly, the mechanisms are controversial now. The present work is focused on the mechanisms of MSR on Cu(111) and Pd(111) surfaces (one of Group VIII metals) by density functional calculations to investigate the origin of the different selectivity.
语种: 中文
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/113900
Appears in Collections:中国科学院大连化学物理研究所_会议论文

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Recommended Citation:
Gu XK,Li WX. Origin of the different selectivity between Cu(111) and Pd(111) on methanol steam reforming reaction[C]. 见:The 2nd US-China Partnership workshop on Surface Science and Heterogeneous Catalysis. 中国. 2009-6-14.
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