N-doped direction-dependent electronic and mechanical properties of single-walled carbon nanotube (SWCNT) from a first-principles density functional theory (DFT) and MD-simulation-Reference-Cited by-同舟云学术

N-doped direction-dependent electronic and mechanical properties of single-walled carbon nanotube (SWCNT) from a first-principles density functional theory (DFT) and MD-simulation

Published:2022-03 Issue: Volume:111 Page:108111
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Singh Y.T.,Patra P.K.,Obodo K.O.,Saad H.-E M. Musa,Rai D.P.^ORCID

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference56 articles.

1. Helical microtubules of graphitic carbon;Iijima;Nature,1991

2. Electronic properties of carbon nanotubes;Fischer;Curr. Opin. Solid State Mater. Sci.,1999

3. Electronic properties of carbon nanotubes: experimental results;Issi;Carbon N. Y.,1995

4. Buckling behavior of nonuniform carbon nanotubes using nonlocal elasticity theory and the differential transformation method;Mawphlang;Int. Nano Lett.,2020

5. The great reduction of a carbon Nanotube's mechanical performance by a few topological defects;Zhu;ACS Nano,2016

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Improved energy method and agglomeration influence of carbon nanotubes on polymer composites;Journal of Molecular Graphics and Modelling;2024-11

2. Computational quantum mechanical investigation of the functionalized AlN nanotube as the smart carriers for levodopa drug delivery: a DFT analysis;Bulletin of Materials Science;2023-12-27

3. Mechanical quantum analysis on the role of transition metals on the delivery of metformin anticancer drug by the boron phosphide nanotube;Computer Methods in Biomechanics and Biomedical Engineering;2023-10-17

4. Tuning structural and electronic properties of single wall AlN nanotubes;Modern Physics Letters B;2023-07-08

5. Enhanced thermoelectric properties of SWCNT by new nitrogen chains doping;Diamond and Related Materials;2023-06