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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
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
KeywordCo Oxidation Supported Gold Nanoparticles Temperature Clusters Particles Chemistry Titania
AbstractRecent 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.
2009
ISSN1932-7447
Volume113Issue:24Pages:10517-10520
Subject AreaPhysics
Indexed BySCI
Funding OrganizationINL 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
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/5294
Collection理论物理所科研产出_SCI论文
Corresponding AuthorRashkeev, SN , Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA
Recommended Citation
GB/T 7714
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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