Formation of coinage metal-carbonyl complexes on oxide surfaces

	Formation of coinage metal-carbonyl complexes on oxide surfaces
	欧阳润海 ; Li WX(李微雪)
	2011
会议名称	international symposium on the current status ofsurface and interface research in theory and experiment
会议日期	2011-6-29
会议地点	柏林
其他题名	贵金属羰基化合物在氧化物表面的形成机理
页码	27-0
通讯作者	weixueli
中文摘要	understanding the structure-reactivity relationships of the reactions catalyzed by the metal aggregates such as clusters and/or nanoparticles (nps) supported on oxides at ambient pressures is important for rationalizing the design of catalysis. this is however difficult due to the ability of the reactants to alter the size, shape and charge state of the supported aggregates. a special case of the reactant induced alteration is oxidative disruption and reductive agglomeration of the supported noble metal nps observed in co ambient. to reveal the factors affecting the stability of the supported metal aggregates under the presence of co, the insights into the metal adsorption and its interaction with co, dependence on the oxide supports and effect on the dispersion of the metal aggregates are essential and studied by density functional theory calculations. we find that for the coinage metal (cm) cu, ag and au adsorbed on oxide surface, the presence of co would lead to the formations of the cm-carbonyl complexes. on polar and/or high work function oxide surfaces, the formations of metal cations are preferential and bound strongly with co in form of the metal-carbonyl complexes. further calculations show that for cm aggregates supported on polar and/or high work function oxides, the presence of co would disintegrate the cm aggregates to the metal-carbonyl complexes. whereas on low work function oxides, the cm aggregates would be resistant to the dispersion and the carbonyl formation. the importance of the oxide supports on the charge transferring and the effect on the stability of the metal aggregates supported are highlighted.
合作状况	墙报
会议主办者	fritz haber institute of the max planck society, berlin
会议录	formation of coinage metal-carbonyl complexes on oxide surfaces
会议录出版者	待补充
会议录出版地	待补充
学科主题	物理化学
内容类型	会议论文
源URL	[http://159.226.238.44/handle/321008/116082]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
推荐引用方式 GB/T 7714	欧阳润海,Li WX. Formation of coinage metal-carbonyl complexes on oxide surfaces[C]. 见:international symposium on the current status ofsurface and interface research in theory and experiment. 柏林. 2011-6-29.