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Surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets

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Surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets.htm (392bytes)
Date
2009
Author
Wen, Yu-Hua
Zhang, Yang
Zhu, Zi-Zhong
Sun, Shi-Gang
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  • 化学化工-已发表论文 [14469]
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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.
Citation
CHINESE PHYSICS B,2009,18(11):4855-4959
URI
http://dx.doi.org/doi:10.1088/1674-1056/18/11/056
https://dspace.xmu.edu.cn/handle/2288/3335

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