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学科主题: 物理化学
题名: First Principle Study of Selective Oxidation of Carbon Monoxide in excess of Hydrogen on PtFe Catalysts
作者: Li WX(李微雪)
会议名称: European conference on surface science 26
会议日期: 2009-8-30
出版日期: 2009-08-30
会议地点: Italy
其他题名: 富氢气氛下PtFe催化剂上一氧化碳选择氧化的第一性原理研究
通讯作者: 李微雪
部门归属: 五室
主办者: Genoa大学
摘要: The identification of active phases/centers and reaction mechanisms,structure-reactivity relationship and their dependence on reaction temperaturesand pressures, are the crucial to rationale the design of the heterogeneous catalysis. However, significant challenges remain to close *the catalytic cycle*, and typically the integration of in-situ catalytic reactions of supported nano-catalysts, surface sciences and novel first principle density functional theory calculations including T/P are required. To illustrate the challenges and possible routes to close the gap based on the cooperation between bottom-up experiment and theory, CO oxidation on Pt, and preferential CO oxidation in excess of hydrogen on PtFe alloy, an industrial important catalytic reactions, will be discussed. Complexity of the catalytic reactions under realistic conditions as well as materials gap and pressures gap will be illustrated. Various structural models (bimetallic alloys, core-shell, metal/metal oxide etc) under reaction conditions and their effects on the reaction mechanisms (active phases/centers, reaction path) will be explored.
语种: 中文
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/113570
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:
Li WX. First Principle Study of Selective Oxidation of Carbon Monoxide in excess of Hydrogen on PtFe Catalysts[C]. 见:European conference on surface science 26. Italy. 2009-8-30.
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