High-index-faceted platinum nanoparticles: insights into structural and thermal stabilities and shape evolution from atomistic simulations

CORC > 厦门大学 > 物理技术－已发表论文

	High-index-faceted platinum nanoparticles: insights into structural and thermal stabilities and shape evolution from atomistic simulations
	Zeng, Xiang-Ming ; Huang, Rao ; Shao, Gui-Fang ; Wen, Yu-Hua ; Sun, Shi-Gang ; Huang R(黄娆) ; Shao GF(邵桂芳) ; Wen YH(文玉华) ; Sun SG(孙世刚)
刊名	http://dx.doi.org/10.1039/c4ta01731e
	2014
关键词	CORE-SHELL NANOCRYSTALS MOLECULAR-DYNAMICS ELECTROCATALYTIC ACTIVITY SILVER NANOPARTICLES CATALYTIC-ACTIVITY SURFACES NANOCLUSTERS METALS ELECTROOXIDATION HYDROGENATION
英文摘要	National Natural Science Foundation of China [51271156, 11204252]; Natural Science Foundation of Fujian Province of China [2013J06002]; Specialized Research Fund for the Doctoral Program of Higher Education of China [20130121110012]; High-index-faceted Pt nanoparticles exhibit exceptional electrocatalytic activity owing to the high density of low coordinated sites on their surface, and thus have attracted extensive studies over the past few years. In this study, we have employed atomistic simulations to systematically investigate the structural and thermal stabilities and shape evolution of Pt nanoparticles with different high-index facets, that is, tetrahexahedra enclosed by {hk0} facets, trapezohedra by {hkk} ones, and trisoctahedra by {hhk} ones. The results show that {221} faceted trisoctahedral nanoparticles display the best structural and thermal stabilities while {410} faceted tetrahexahedral ones display the worst. The shape stability of these nanoparticles generally decreases in the order from trapezohedron to tetrahexahedron to trisoctahedron. For the same type of polyhedron, the structural, thermal and shape stabilities of the nanoparticles all decrease according to the order of {2kl}, {3kl} and {4kl} facets. Further analyses have discovered that a large proportion of high-coordinated surface atoms are beneficial for enhancing both the thermal and shape stabilities. This work provides an in-depth understanding of surface structures and thermodynamic evolution of high-index-faceted metallic nanoparticles.
语种	英语
出版者	ROYAL SOC CHEMISTRY
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/92088]
专题	物理技术－已发表论文
推荐引用方式 GB/T 7714	Zeng, Xiang-Ming,Huang, Rao,Shao, Gui-Fang,et al. High-index-faceted platinum nanoparticles: insights into structural and thermal stabilities and shape evolution from atomistic simulations[J]. http://dx.doi.org/10.1039/c4ta01731e,2014.
APA	Zeng, Xiang-Ming.,Huang, Rao.,Shao, Gui-Fang.,Wen, Yu-Hua.,Sun, Shi-Gang.,...&孙世刚.(2014).High-index-faceted platinum nanoparticles: insights into structural and thermal stabilities and shape evolution from atomistic simulations.http://dx.doi.org/10.1039/c4ta01731e.
MLA	Zeng, Xiang-Ming,et al."High-index-faceted platinum nanoparticles: insights into structural and thermal stabilities and shape evolution from atomistic simulations".http://dx.doi.org/10.1039/c4ta01731e (2014).