Structures and Energetics of Silver and Gold Nanoparticles
文献类型：期刊论文
| 作者 | Chen, XS ; Wang, YT
|
| 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 |
| 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 |
| 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. |
入库方式： OAI收割
来源：理论物理研究所
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