Surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets
Wen Yu-Hua(文玉华)a),Zhang Yang(张杨)a), Zhu Zi-Zhong(朱梓忠)a)†, and Sun Shi-Gang(孙世刚)b)‡
a Department of Physics, and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005, China; b State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China
Abstract This paper uses a molecular static approach with a many-body potential to investigate the surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets such as {210}, {310}, {410}, {520} and {730}. It mainly focuses on the effect of crystal size and surface Miller index on these characteristics. The results show that the surface energy and dangling bond density increase with decreasing diameter of tetrahexahedral nanocrystals and generally show an order of {210} > {730} > {520} > {310} > {410}. However, this order is not valid at crystal sizes below 7 nm or so. The results of corresponding surfaces are also presented for comparison.
Received: 13 January 2009
Revised: 05 March 2009
Accepted manuscript online:
Fund: Project supported by the
International Science \& Technology Cooperation Project of China
(Grant No 2007DFA40890), the National Natural Science Foundation of
China (Grant Nos 10702056 and 10774124), and the Program for New
Century Excellent Talents in Fujian Province University, China.
Cite this article:
Wen Yu-Hua(文玉华),Zhang Yang(张杨), Zhu Zi-Zhong(朱梓忠), and Sun Shi-Gang(孙世刚) Surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets 2009 Chin. Phys. B 18 4955
[1]
Phase transition-induced superstructures of β-Sn films with atomic-scale thickness Le Lei(雷乐), Feiyue Cao(曹飞跃), Shuya Xing(邢淑雅), Haoyu Dong(董皓宇), Jianfeng Guo(郭剑锋), Shangzhi Gu(顾尚志), Yanyan Geng(耿燕燕), Shuo Mi(米烁), Hanxiang Wu(吴翰翔), Fei Pang(庞斐), Rui Xu(许瑞), Wei Ji(季威), and Zhihai Cheng(程志海). Chin. Phys. B, 2021, 30(9): 096804.
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.