Particle swarm optimization investigation of stable structures of Pt-Pd alloy nanoparticles

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	Particle swarm optimization investigation of stable structures of Pt-Pd alloy nanoparticles
	Liu Tun-Dong ; Chen Jun-Ren ; Hong Wu-Peng ; Shao Gui-Fang ; Wang Ting-Na ; Zheng Ji-Wen ; Wen Yu-Hua ; Liu TD(刘暾东) ; Shao GF(邵桂芳) ; Wen YH(文玉华)
刊名	http://dx.doi.org/10.7498/aps.62.193601
	2013
关键词	BIMETALLIC NANOPARTICLES CORE-SHELL NI AG CRYSTALLIZATION SIMULATIONS CATALYSTS METALS AU CU
英文摘要	National Natural Science Foundation of China [51271156]; Fundamental Research Funds for the Central Universities, China [2012121010]; Pt-Pd alloy nanoparticles exhibit better catalytic activity and selectivity than pure Pt and Pd ones, and thus to explore their stable structures is crucial for understanding the catalytic performance of nanoparticles. In this paper, the particle swarm optimization algorithm and the quantum Sutton-Chen potentials are employed to investigate the stable structures of tetrahexahedral Pt-Pd alloy nanoparticles with different sizes and different composition. Results show that in Pt-Pd alloy nanoparticles, Pt atoms are preferential to locate of the core and Pd atoms to occupy the surface. Furthermore, the more symmetrical and ordered the structure, the lower the energy of the structure. The Warren-Cowley chemical short-range order parameters of three different sizes of nanoparticles increase accordingly with rising fraction Pt. The segregation degree of small sized nanoparticle is more remarkable than large sized one for the same content of Pt.
语种	英语
出版者	CHINESE PHYSICAL SOC
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/92531]
专题	信息技术－已发表论文
推荐引用方式 GB/T 7714	Liu Tun-Dong,Chen Jun-Ren,Hong Wu-Peng,et al. Particle swarm optimization investigation of stable structures of Pt-Pd alloy nanoparticles[J]. http://dx.doi.org/10.7498/aps.62.193601,2013.
APA	Liu Tun-Dong.,Chen Jun-Ren.,Hong Wu-Peng.,Shao Gui-Fang.,Wang Ting-Na.,...&文玉华.(2013).Particle swarm optimization investigation of stable structures of Pt-Pd alloy nanoparticles.http://dx.doi.org/10.7498/aps.62.193601.
MLA	Liu Tun-Dong,et al."Particle swarm optimization investigation of stable structures of Pt-Pd alloy nanoparticles".http://dx.doi.org/10.7498/aps.62.193601 (2013).