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题名: Structures and Energetics of Silver and Gold Nanoparticles
作者: Wang, BY ;  Liu, MX ;  Wang, YT ;  Chen, XS
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
出版日期: 2011
卷号: 115, 期号:23, 页码:11374-11381
关键词: FIELD-EFFECT TRANSISTORS ;  PBSE NANOCRYSTAL SOLIDS ;  CDSE NANOCRYSTALS ;  TWINNED PARTICLES ;  BLOCK-COPOLYMERS ;  AU NANOCLUSTERS ;  SOLAR-CELLS ;  CLUSTERS ;  FILMS ;  SUPERLATTICES
学科分类: Physics
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.
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
英文摘要: 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.
资助者: Chinese Academy of Sciences; National Natural Science Foundation of China [10835005]
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000291339000007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/14332
Appears in Collections:理论物理所2011年知识产出_期刊论文

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Recommended Citation:
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.
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