Nano-peapods from C60-encapsulated CNTs driving self-assembly of phosphorus nanotube: A molecular dynamics study

被引：5

作者：

Cao, Jing ^{[1
]}

Wang, Yixuan ^{[1
]}

Chai, Junrui ^{[1
]}

Shi, Jiao ^{[2
,3
]}

机构：

[1] Xian Univ Technol, State Key Lab Ecohydraul Northwest Arid Reg China, Xian 710048, Shaanxi, Peoples R China

[2] Northwest A&F Univ, Coll Water Resources & Architectural Engn, Yangling 712100, Shaanxi, Peoples R China

[3] Dalian Univ Technol, State Key Lab Struct Anal Ind Equipment, Dalian 116024, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2019年 / 160卷

关键词：

Black phosphorus; Carbon nanotube; Self-assembly; Molecular dynamics; BLACK PHOSPHORUS; ELECTRONIC-STRUCTURE; NANORIBBON; TEMPERATURE; FULLERENES; TRANSITION; CARBYNE;

D O I：

10.1016/j.commatsci.2019.01.020

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

As a new excellent semiconductor material, black phosphorus (BP) has wide application in nanodevices. Its stability can be improved by reducing edge unsaturated atoms. In this study, we investigated the self-assembly of a BP nanotube (BPNT) from a parallelogram ribbon driven by a C-60-encapsulated CNT (i.e., peapod). Effects of CNT radius, number of fullerenes, and temperature on the self-assembly results were evaluated by molecular dynamics simulations. Briefly, a BPNT can be formed from the same BP ribbon on a narrower CNT with more fullerenes at higher temperature. This will benefit potential application of the present method in fabrication of BPNTs.

引用

页码：403 / 410

页数：8

共 56 条

[1] Continuum and molecular dynamics study of C60 fullerene-carbon nanotube oscillators [J].