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Structures and Energetics of Silver and Gold Nanoparticles
Wang, BY; Liu, MX; Wang, YT; Chen, XS; Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, 55 Zhongguancun E Rd, Beijing 100190, Peoples R China.
2011
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号115期号:23页码:11374-11381
摘要The stability and energetics of metal nanoparticles are very important for their wide applications. Ino developed a continuous model combined with experimental parameters to study the stability of metal nanoparticles for several different crystalline structures. To provide comparable information for molecular simulation results, we re-examined Ino's theory by using the parameters of the Sutton-Chen potential for silver and gold, respectively. Our results show that the most stable structure is icosahedron when the diameter is smaller than 2 nm, and truncated octahedron for larger nanoparticles. Static energies were then calculated for perfect crystalline structures to compare with the results by Ino's theory, and different crystalline stabilities have been found. Nevertheless, all calculations indicate that truncated octahedron is the most stable structure at large sizes. Finally, thermodynamic effects have been demonstrated to be non-negligible by finding the thermodynamically stable structures of metal nanoparticles with the simulated annealing method. Therefore, experimentally developed metal nanoparticles do not necessarily always take the structure with the lowest potential energy given by either Ino's theory or static energy calculations.
部门归属[Wang, Boyang; Liu, Maoxin; Wang, Yanting; Chen, Xiaosong] Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, Beijing 100190, Peoples R China
关键词Field-effect Transistors Pbse Nanocrystal Solids Cdse Nanocrystals Twinned Particles Block-copolymers Au Nanoclusters Solar-cells Clusters Films Superlattices
学科领域Physics
资助者Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005]
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收录类别SCI
语种英语
资助者Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005] ; Chinese Academy of Sciences; National Natural Science Foundation of China [10835005]
WOS记录号WOS:000291339000007
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被引频次:25[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/311006/14332
专题理论物理所SCI论文
通讯作者Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, 55 Zhongguancun E Rd, Beijing 100190, Peoples R China.
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GB/T 7714
Wang, BY,Liu, MX,Wang, YT,et al. Structures and Energetics of Silver and Gold Nanoparticles[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2011,115(23):11374-11381.
APA Wang, BY,Liu, MX,Wang, YT,Chen, XS,&Wang, YT .(2011).Structures and Energetics of Silver and Gold Nanoparticles.JOURNAL OF PHYSICAL CHEMISTRY C,115(23),11374-11381.
MLA Wang, BY,et al."Structures and Energetics of Silver and Gold Nanoparticles".JOURNAL OF PHYSICAL CHEMISTRY C 115.23(2011):11374-11381.
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