DFT Study on Structural and Mechanical Properties of Single-walled Carbon and Boron Nitride Nanotubes Functionalized with Carbenes

DFT Study on Structural and Mechanical Properties of Single-walled Carbon and Boron Nitride Nanotubes Functionalized with Carbenes

This paper presents quantum chemistry study on structural and mechanical properties of a series of single-walled carbon nanotubes (SWCNTs) and boron nitride nanotubes (BNNTs) functionalized with carbenes. At the PBE/SVP level, the obtained data on pristine nanotubes are in good accordance with the r...

Full description

Saved in:
Bibliographic Details
Main Author: I.K. Petrushenko
Format: Article
Language:English
Published: Sumy State University 2016-10-01
Series:Журнал нано- та електронної фізики
Subjects:
DFT
PBE
Single-walled carbon nanotube
Boron nitride nanotube
Young’s modulu
Online Access:http://jnep.sumdu.edu.ua/download/numbers/2016/3/articles/Proof_jnep_2016_V8_03031.pdf
Tags: Add Tag
No Tags, Be the first to tag this record!

Similar Items

Similar Items