Structures and Energetics of Silver and Gold Nanoparticles

CORC > 理论物理研究所 > 中国科学院理论物理研究所 > 理论物理所科研产出 > 理论物理所1978-2010年知识产出

	Structures and Energetics of Silver and Gold Nanoparticles
	Chen, XS; Wang, YT
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	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
ISSN号	1932-7447
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.
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.
学科主题	Physics
收录类别	SCI
资助信息	Chinese Academy of Sciences; National Natural Science Foundation of China [10835005]
原文出处	http://dx.doi.org/10.1021/jp201023x
语种	英语
WOS记录号	WOS:000291339000007
公开日期	2013-05-17
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/14332]
专题	理论物理研究所_理论物理所1978-2010年知识产出
推荐引用方式 GB/T 7714	Chen, XS,Wang, YT. Structures and Energetics of Silver and Gold Nanoparticles[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2011,115(23):11374-11381.
APA	Chen, XS,&Wang, YT.(2011).Structures and Energetics of Silver and Gold Nanoparticles.JOURNAL OF PHYSICAL CHEMISTRY C,115(23),11374-11381.
MLA	Chen, XS,et al."Structures and Energetics of Silver and Gold Nanoparticles".JOURNAL OF PHYSICAL CHEMISTRY C 115.23(2011):11374-11381.