|Table of Contents|

Study on Phase Transitions of Pd-Au-Pt Trimetallic NanoparticlesConfined Between Two-Layer Graphene NanosheetsBased on Molecular Dynamics Simulation(PDF)

《南京师大学报（自然科学版）》[ISSN:1001-4616/CN:32-1239/N]

Issue:
2019年02期
Page:
87-92
Research Field:
·化学·
Publishing date:

Info

Title:
Study on Phase Transitions of Pd-Au-Pt Trimetallic NanoparticlesConfined Between Two-Layer Graphene NanosheetsBased on Molecular Dynamics Simulation
Author(s):
Yu Youquan1; Shao Jingling2; Wei Song1; Zhu Xiaolei1
(1.State Key Laboratory of Materials-Oriented Chemical Engineering,College of Chemical Engineering,Nanjing Tech University,Nanjing 210009,China)(2.School of Chemistry and Chemical Engineering,Yancheng Institute of Technology,Yancheng 224051,China)
Keywords:
trimetallic nanoparticle; graphene; phase transition; molecular dynamics simulation
PACS:
O643.1
DOI:
10.3969/j.issn.1001-4616.2019.02.014
Abstract:
A molecular dynamics(MD)simulation is applied to investigate the structure and feature of phase transitions for the Pd-Au-Pt trimetallic nanoparticle confined between two-layer graphene nanosheets(GNSs)during heating and cooling process. Atomic position and density distribution are used to examine and reveal the structural and phase transition characteristics of the confined Pd-Au-Pt trimetallic nanoparticles with different compositions. The results domenstrate that the three kinds of metals in the confined Pd-Au-Pt nanoparticles exhibit special atomic distributions,that is,the Pt atoms tend to be located near the graphene nanosheets,and the Au atoms tend to be distributed in the central layer far away from graphene nanosheets,while the Pd atoms distribute throughout the confined nanoparticle in a random manner. It is also noted that the crystallization of confined Pd-Au-Pt trimetallic nanoparticles starts from the intersurface between a confined trimetallic nanoparticle and GNS,and the melting begins from the inner layer. The structure feature for the phase transition of the confined Pd-Au-Pt nanoparticle is revealed.

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Last Update: 2019-06-30