英文论文
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文献类型
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Journal article (JA)
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题名
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Atomic-scale insights into thermal stability of Pt3Co nanoparticles: A comparison between disordered alloy and ordered intermetallics
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作者
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Wen, Yu-Hua (1, 2); Zhang, Li-Hong (1); Wang, Jin-Bo (1); Huang, Rao (1, 2, 3)
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作者单位
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(1) Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient Devices, Department of Physics, Xiamen University, Xiamen; 361005, China (2) Jiujiang Research Institute of Xiamen University, Jiujiang; 332000, China (3) Collaborative, Innovation Center for Optoelectronic Semiconductors and Efficient Devices, Department of Physics, Xiamen University, Xiamen; 361005, China
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通讯作者地址
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Xiamen Univ, Collaborat Innovat Ctr Optoelect Semicond & Effic, Dept Phys, Xiamen 361005, Peoples R China.
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Email
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ResearchID
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ORCID
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期刊名称
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Journal of Alloys and Compounds
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出版社
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Elsevier Ltd
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ISSN
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0925-8388
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出版信息
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2019-03-05, 776:629-635.
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JCR
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2
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影响因子
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4.650
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ISBN
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基金
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National Natural Science Foundation of China [11474234, 51871189]
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会议名称
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会议地点
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会议开始日期
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会议结束日期
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关键词
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Binary alloys; Coatings; Cobalt; Core shell nanoparticles; Fuel cells; Intermetallics; Melting; Melting point; Molecular dynamics; Nanocatalysts; Stability; Synthesis (chemical); Ternary alloys; Thermodynamic stability
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摘要
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Pt3Co nanoparticles are promising catalyst candidates for fuel-cell applications because their catalytic performances are superior to pure Pt nanoparticles. Fundamental insights into the thermostability of Pt3Co nanoparticles are critical for their syntheses, post-treatments, and ultimate applications. In this article, the thermal stability of Pt3Co nanoparticles has been investigated by molecular dynamics simulations. Two types of structures, chemically disordered alloy and ordered intermetallic compound, are considered. Besides, two-atomic-layered Pt and Co have been introduced to coat the Pt3Co nanoparticles to form Pt3Co-Pt and Pt3Co-Co core-shell nanoparticles. The simulated results reveal that the ordered intermetallic Pt3Co nanoparticles exhibit better thermal stability than the disordered alloy ones. Pt coating is greatly superior to Co coating for improving both structural and thermal stability of Pt3Co nanoparticles. For Pt3Co and Pt coated Pt3Co nanoparticles, the overall melting simultaneously happens in both Pt and Co. However, Co-coated surface induces the two-stage melting of Pt3Co nanoparticles at large sizes; it markedly decreases the thermal stability of the nanoparticles at small sizes, resulting in the melting point even lower than pure Co ones. The remarkably lowered melting temperature is associated with the order-to-disorder transformation in the Co-coated shell and the appreciable change of particle shape before surface premelting. ? 2018 Elsevier B.V.
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一级学科
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Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering
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WOS入藏号
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WOS:000453826200073
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EI收录号
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20184406027024
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DOI
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10.1016/j.jallcom.2018.10.274
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ESI
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MATERIALS
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收录于
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SCIE, EI
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