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Melting Phase Transitions and Catalytic Activity of Bilayer Gold Nanoclusters
Wang, Yanting; Rashkeev, Sergey N.; Rashkeev, SN , Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA
2009
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号113期号:24页码:10517-10520
摘要Recent experiments in oxidation catalysis indicate that bilayer gold nanostructures exhibit exceptional catalytic activity at ambient temperatures. Here we use molecular dynamics simulations to show that an unsupported bilayer gold nanocluster has a melting transition smeared out over a broad temperature range. The transition is characterized by an interplay between the intralayer and interlayer diffusion processes, and the transition temperature region ranges from about 300 to 1200 K. We suggest that surface thermal instabilities of partially melted bilayer gold nanoclusters result in their exceptional catalytic activity at ambient temperatures. For gold nanoclusters with more than two layers, the melting transition temperature range narrows, and the activity of the cluster decreases due to the suppression of surface fluctuations. These results systematically explain experimental observations showing that catalytic ability of gold nanoclusters decreases with size.
部门归属[Wang, YT; Rashkeev, SN] Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA; [Wang, YT] Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China
关键词Co Oxidation Supported Gold Nanoparticles Temperature Clusters Particles Chemistry Titania
学科领域Physics
资助者INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory
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收录类别SCI
资助者INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory ; INL Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office[DE-AC07-051D14517]; Office of Science of the U.S. Department of Energy[DE-AC02-05CH11231]; High Performance Computer Center at Idaho National Laboratory
WOS记录号WOS:000266930400034
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被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/5294
专题理论物理所SCI论文
通讯作者Rashkeev, SN , Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA
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Wang, Yanting,Rashkeev, Sergey N.,Rashkeev, SN , Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA. Melting Phase Transitions and Catalytic Activity of Bilayer Gold Nanoclusters[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2009,113(24):10517-10520.
APA Wang, Yanting,Rashkeev, Sergey N.,&Rashkeev, SN , Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA.(2009).Melting Phase Transitions and Catalytic Activity of Bilayer Gold Nanoclusters.JOURNAL OF PHYSICAL CHEMISTRY C,113(24),10517-10520.
MLA Wang, Yanting,et al."Melting Phase Transitions and Catalytic Activity of Bilayer Gold Nanoclusters".JOURNAL OF PHYSICAL CHEMISTRY C 113.24(2009):10517-10520.
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