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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
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.