DFT Study of WS<sub>2</sub>-Based Nanotubes Electronic Properties under Torsion Deformations

DFT Study of WS<sub>2</sub>-Based Nanotubes Electronic Properties under Torsion Deformations

In this study, the influence of torsional deformations on the properties of chiral WS<sub>2</sub>-based nanotubes was investigated. All calculations presented in this study were performed using the density functional theory (DFT) and atomic gaussian type orbitals basis set. Nanotubes wit...

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Bibliographic Details
Main Authors: Anton V. Domnin, Ilia E. Mikhailov, Robert A. Evarestov
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:Nanomaterials
Subjects:
density functional theory (DFT)
line groups theory
nanotubes
torsion deformation
tungsten disulfide
Online Access:https://www.mdpi.com/2079-4991/13/19/2699

Internet

https://www.mdpi.com/2079-4991/13/19/2699

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