ITP OpenIR  > SCI期刊论文
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.
Structures and Energetics of Silver and Gold Nanoparticles
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
Language英语
KeywordField-effect Transistors Pbse Nanocrystal Solids Cdse Nanocrystals Twinned Particles Block-copolymers Au Nanoclusters Solar-cells Clusters Films Superlattices
AbstractThe 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.
2011
ISSN1932-7447
Volume115Issue:23Pages:11374-11381
Subject AreaPhysics
Indexed BySCI
Funding OrganizationChinese 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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Cited Times:30[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/14332
CollectionSCI期刊论文
Corresponding AuthorWang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, 55 Zhongguancun E Rd, Beijing 100190, Peoples R China.
Recommended Citation
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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