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基于双壁碳纳米管和石墨烯的缺陷驱动旋转系统。

Defect-driven rotating system based on a double-walled carbon nanotube and graphene.

作者信息

Lin Xiaotian, Han Qiang

机构信息

Department of Engineering Mechanics, School of Civil Engineering and Transportation, South China University of Technology, Guangzhou, Guangdong Province, 510640, People's Republic of China.

出版信息

J Mol Model. 2019 Aug 17;25(9):262. doi: 10.1007/s00894-019-4119-z.

Abstract

A nanoscale rotating system that consists of a double-walled carbon nanotube (DWCNT) and graphene and is driven by a defect in the graphene is proposed, and its rotating dynamics and driving mechanism are investigated through molecular dynamics simulations. A potential energy difference caused by the presence of the vacancy defect on the graphene substrate causes the outer tube in the DWCNT to stably rotate in a specific direction. The rotational speed of the outer tubem initially increases before reaching a stable speed. This phenomenon indicates that the driving torque is a difference between the sides of the outer tube in the van der Waals potential; this difference in potential is caused by the presence of the defect in the graphene. In addition, the effects of the system temperature, the radius and chiral vectors of the DWCNT, and the location of the defect in the graphene are investigated. The theoretical work reported here should provide a reference for the design of motion systems based on carbon nanotubes and graphene and their applications.

摘要

提出了一种由双壁碳纳米管(DWCNT)和石墨烯组成、由石墨烯中的缺陷驱动的纳米级旋转系统,并通过分子动力学模拟研究了其旋转动力学和驱动机制。石墨烯基底上的空位缺陷导致的势能差,使得DWCNT中的外管沿特定方向稳定旋转。外管的旋转速度在达到稳定速度之前最初会增加。这一现象表明驱动扭矩是范德华势中外管两侧的差值;这种势差是由石墨烯中的缺陷导致的。此外,还研究了系统温度、DWCNT的半径和手性矢量以及石墨烯中缺陷的位置的影响。本文报道的理论工作应为基于碳纳米管和石墨烯的运动系统的设计及其应用提供参考。

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