Extracting the inner wall from nested double-walled carbon nanotube by platinum nanowire: molecular dynamics simulations

Dan Xia; Yongchao Luo; Qiang Li; Qingzhong Xue; Xiaomin Zhang; Chunyong Liang; Mingdong Dong

doi:10.1039/C7RA07066G

Extracting the inner wall from nested double-walled carbon nanotube by platinum nanowire: molecular dynamics simulations

Dan Xia,

^a Yongchao Luo,^a Qiang Li,*^b Qingzhong Xue,^c Xiaomin Zhang,^a Chunyong Liang*^a and Mingdong Dong

*^d

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* Corresponding authors

^a Research Institute for Energy Equipment Materials, Collage of Materials Science and Engineering, Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology, Hebei University of Technology, Tianjin 300130, China
E-mail: liangchunyong@hebut.edu.cn

^b Key Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, Shandong, China
E-mail: qiang@sdu.edu.cn

^c State Key Laboratory of Heavy Oil Processing, College of Science, China University of Petroleum, Qingdao 266580, Shandong, China

^d Interdisciplinary Nanoscience Center (iNANO), Aarhus University, Aarhus C, DK-8000, Denmark
E-mail: dong@inano.au.dk

Abstract

The sliding behavior of interwalls between double-walled carbon nanotubes (DWCNTs) is studied by molecular dynamics (MD) simulations. The results show that a platinum (Pt) nanowire (NW) is able to push out a single wall from the DWCNT. The pushout process is strongly dependent on the match level of the NW radius and the inner wall CNT radius. The match radius of the Pt NW and the inner CNT wall will form perfect single-walled CNT (SWCNT) and Pt/CNT core/shell nanostructure. In addition, the bonding interactions between the Pt NW and the CNT are also studied. The shear stress between the Pt NW and CNT is in megapascal magnitude. The chirality has little effect on the interfacial bonding and the shear stress between the Pt NW and the CNT. This study will shed light on the understanding of the lubrication mechanism of the multi-walled CNT and the metal NWs in realistic situations.

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Extracting the inner wall from nested double-walled carbon nanotube by platinum nanowire: molecular dynamics simulations

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Extracting the inner wall from nested double-walled carbon nanotube by platinum nanowire: molecular dynamics simulations

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