Equilibrium Shape of Metal Nanoparticles under Reactive Gas Conditions
Zhu, BE; Meng, J; Gao, Y
2017
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号121期号:10页码:5629-5634
文章类型期刊论文
摘要Characterization and control of the shape of nanoparticles has a primary importance in nanoscience and nanotechnology since most of the physical and chemical properties are shape -dependent. In recent years, many in situ experimental observations have shown that metal nanoparticles can change their shapes and structures dramatically and reversibly under reactive gas conditions. However, despite the experimental achievements, the precise theoretical prediction of this kind of shape evolution is still a challenging and demanding task. In this work, using CO@Pt as a benchmark, we develop a multiscale structure reconstruction model to quantitatively illuminate the equilibrium geometries of metal nanoparticles at given temperature and gas pressure. This model perfectly reproduces the experimental results and explains some intriguing phenomena, including the CO-induced breakup of Pt surfaces. The shape evolution results of Pt, Pd, Cu, and Au nanoparticles under CO and NO gas environments are presented. Our study provides useful guidelines for improving and developing real catalysts.
DOI10.1021/acs.jpcc.6b13021
收录类别SCI
语种英语
WOS记录号WOS:000396969900020
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/27315
专题中科院上海应用物理研究所2011-2018年
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Zhu, BE,Meng, J,Gao, Y. Equilibrium Shape of Metal Nanoparticles under Reactive Gas Conditions[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2017,121(10):5629-5634.
APA Zhu, BE,Meng, J,&Gao, Y.(2017).Equilibrium Shape of Metal Nanoparticles under Reactive Gas Conditions.JOURNAL OF PHYSICAL CHEMISTRY C,121(10),5629-5634.
MLA Zhu, BE,et al."Equilibrium Shape of Metal Nanoparticles under Reactive Gas Conditions".JOURNAL OF PHYSICAL CHEMISTRY C 121.10(2017):5629-5634.
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