刘安敏

个人信息Personal Information

副教授

硕士生导师

性别:男

毕业院校:哈尔滨工业大学

学位:博士

所在单位:化工海洋与生命学院

学科:化学工程. 能源化工. 功能材料化学与化工

办公地点:D01-312A

联系方式:0427-2631809

电子邮箱:liuanmin@dlut.edu.cn

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Molecular dynamics study of core-shell structure from carbon nanotube and platinum nanowire

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论文类型:期刊论文

发表时间:2018-01-01

发表刊物:MOLECULAR SIMULATION

收录刊物:SCIE、EI

卷号:44

期号:8

页面范围:648-652

ISSN号:0892-7022

关键字:Molecular dynamics simulation; carbon nanotube; platinum nanowires

摘要:The interaction between the carbon nanotubes (CNTs) and platinum (Pt) nanowires (NWs) was investigated using forced field-based molecular dynamics (MD) simulations. Our results display that the Pt NW can induce the self-assembly of the CNTs to form a shell-core structure, this is because of the van der Waals interaction and the offset face-to-face - stacking interaction. The diameter of the CNT plays a major role in the formation of shell-core structure. Furthermore, the position of the CNT on the Pt NW also affects the formation of shell-core configuration, whereas the cross section of the NWs has a negligible effect on the fabrication process. Moreover, the interaction between multi-wall carbon nanotube and Pt nanowires was also discussed in detail, it is worth noting that the formation conformation of the CNT is also much more stable.