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

机译:用铂纳米线从嵌套双壁碳纳米管中提取内壁:分子动力学模拟

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摘要

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.
机译:通过分子动力学(MD)模拟研究了双壁碳纳米管(DWCNT)之间的交错的滑动行为。 结果表明,铂(PT)纳米线(NW)能够从DWCNT推出单壁。 推路过程强烈取决于NW半径和内壁CNT半径的匹配水平。 PT NW和内CNT壁的匹配半径将形成完美的单壁CNT(SWCNT)和PT / CNT芯/壳纳米结构。 另外,还研究了Pt NW和CNT之间的键合相互作用。 Pt NW和CNT之间的剪切应力是兆帕斯库克幅度。 手性对Pt NW和CNT之间的界面粘合和剪切应力几乎没有影响。 本研究将阐明在现实情况下了解多壁CNT和金属NWS的润滑机制的理解。

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  • 来源
    《RSC Advances 》 |2017年第63期| 共10页
  • 作者单位

    Hebei Univ Technol Tianjin Key Lab Mat Laminating Fabricat &

    Interfa Res Inst Energy Equipment Mat Collage Mat Sci &

    Engn Tianjin 300130 Peoples R China;

    Hebei Univ Technol Tianjin Key Lab Mat Laminating Fabricat &

    Interfa Res Inst Energy Equipment Mat Collage Mat Sci &

    Engn Tianjin 300130 Peoples R China;

    Shandong Univ Sch Chem &

    Chem Engn Key Lab Colloid &

    Interface Chem Minist Educ Jinan 250100 Shandong Peoples R China;

    China Univ Petr Coll Sci State Key Lab Heavy Oil Proc Qingdao 266580 Shandong Peoples R China;

    Hebei Univ Technol Tianjin Key Lab Mat Laminating Fabricat &

    Interfa Res Inst Energy Equipment Mat Collage Mat Sci &

    Engn Tianjin 300130 Peoples R China;

    Hebei Univ Technol Tianjin Key Lab Mat Laminating Fabricat &

    Interfa Res Inst Energy Equipment Mat Collage Mat Sci &

    Engn Tianjin 300130 Peoples R China;

    Aarhus Univ Interdisciplinary Nanosci Ctr iNANO DK-8000 Aarhus C Denmark;

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  • 正文语种 eng
  • 中图分类 化学 ;
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