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学科主题: 物理化学
题名: CO oxidation on PtFe catalysts in excess of hydrogen
作者: Li WX(李微雪)
会议名称: International Workshop on Computational Catalysis
会议日期: 2009-1-6
出版日期: 2009-01-06
会议地点: 德国
通讯作者: 李微雪
部门归属: 五室
主办者: Catalysis Research Center Technische Universitat Munchen
摘要: The identification of active phases/centers and reaction mechanisms, structure-reactivity relationship and their dependence on reaction temperatures and 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 solutions based on the synergetic cooperation between bottom-up experiment and theory, CO oxidation on Pt, and preferential CO oxidation in excess of hydrogen on PtFe alloy, 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/321008/113906
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. CO oxidation on PtFe catalysts in excess of hydrogen[C]. 见:International Workshop on Computational Catalysis. 德国. 2009-1-6.
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