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¡¶ÄϾ©Ê¦´óѧ±¨£¨×ÔÈ»¿Æѧ°æ£©¡·[ISSN:1001-4616/CN:32-1239/N]

Issue:

2018Äê02ÆÚ

Page:

61-

Research Field:

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Publishing date:

Info

Title:

Exploration on Mechanism of Phase Transition of Pd-Au-Pt TrimetallicNanoparticles Confined in Single-Walled Carbon Nanotubes

Author(s):

Wei Hui; Wei Song; Zhu Xiaolei

State Key Laboratory of Materials-Oriented Chemical Engineering,College of Chemical Engineering,Nanjing Tech University,Nanjing 210009,China

Keywords:

trimetallic nanoparticle; carbon tube; phase transition; molecular dynamics simulation

PACS:

O643.1

DOI:

10.3969/j.issn.1001-4616.2018.02.011

Abstract:

A MD simulation method is applied to investigate the mechanism of the phase transition of(Pd_0.33Au_0.33Pt_0.33)₁₅₂₂trimetallic nanoparticle confined in armchair single-walled carbon tubes((n,n)-SWNTs). The total energy,structure,and radial density distribution are used to examine and reveal the structural characteristic of the confined(Pd_0.33Au_0.33Pt_0.33)₁₅₂₂during heating and cooling processes. The results demonstrate that the confined(Pd_0.33Au_0.33Pt_0.33)₁₅₂₂ nanoparticle has multilayer cylindrical structure,which is different from the structure of the free nanoparticle. The melting starts from the inner layer,but crystallization starts from the interface between metal and SWNT based on the analyses of density distribution of the confined(Pd_0.33Au_0.33Pt_0.33)₁₅₂₂. The structure feature for the melting transition of the confined Pd-Au-Pt nanoparticle is revealed.

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