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学科主题: 物理化学
题名: Atomistic Theory of Ostwald Ripening and Disintegration of Supported Metal Particles under Reaction Conditions
作者: Ouyang, Runhai1;  Liu, Jin-Xun1;  Li, Wei-Xue1
通讯作者: 李微雪
刊名: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
发表日期: 2013-02-06
DOI: 10.1021/ja3087054
卷: 135, 期:5, 页:1760-1771
收录类别: SCI
文章类型: Article
部门归属: 5
项目归属: 507
产权排名: 1,1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: Understanding Ostwald ripening and disintegration of supported metal particles under operating conditions has been of central importance in the study of sintering and dispersion of heterogeneous catalysts for long-term industrial implementation. To achieve a quantitative description of these complicated processes, an atomistic and generic theory taking into account the reaction environment, particle size and morphology, and metal-support interaction is developed. It includes (1) energetics of supported metal particles, (2) formation of monomers (both the metal adatoms and metal-reactant complexes) on supports, and (3) corresponding sintering rate equations and total activation energies, in the presence of reactants at arbitrary temperature and pressure. The thermodynamic criteria for the reactant assisted Ostwald ripening and induced disintegration are formulated, and the influence of reactants on sintering kinetics and redispersion are mapped out. Most energetics and kinetics barriers in the theory can be obtained conveniently by first-principles theory calculations. This allows for the rapid exploration of sintering and disintegration of supported metal particles in huge phase space of structures and compositions under various reaction environments. General strategies of suppressing the sintering of the supported metal particles and facilitating the redispersions of the low surface area catalysts are proposed. The theory is applied to TiO2(110) supported Rh particles in the presence of carbon monoxide, and reproduces well the broad temperature, pressure, and particle size range over which the sintering and redispersion occurred in such experiments. The result also highlights the importance of the metal-carbonyl complexes as monomers for Ostwald ripening and disintegration of supported metal catalysts in the presence of CO.
关键词[WOS]: SCANNING-TUNNELING-MICROSCOPY ;  OXIDE SURFACES ;  IN-SITU ;  HETEROGENEOUS CATALYSIS ;  2-DIMENSIONAL ISLANDS ;  INDUCED DISSOCIATION ;  MODEL CATALYST ;  SHAPE CHANGES ;  CO OXIDATION ;  NANOPARTICLES
语种: 英语
WOS记录号: WOS:000314794400029
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/117685
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, Peoples R China

Recommended Citation:
Ouyang, Runhai,Liu, Jin-Xun,Li, Wei-Xue. Atomistic Theory of Ostwald Ripening and Disintegration of Supported Metal Particles under Reaction Conditions[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2013,135(5):1760-1771.
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