Theoretical approach to point defects in a single transition metal dichalcogenide monolayer: conductance and force calculations in MoS$_{{2}}$

Theoretical approach to point defects in a single transition metal dichalcogenide monolayer: conductance and force calculations in MoS$_{{2}}$

We present here a small review on our exhaustive theoretical study of point defects in a MoS$_{{2}}$ monolayer. Using Density Functional Theory (DFT), we characterize structurally and electronically different kinds of defects based on S and Mo vacancies, as well as their antisites. In combination wi...

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Bibliographic Details
Main Authors: González, César, Dappe, Yannick J.
Format: Article
Language:English
Published: Académie des sciences 2021-05-01
Series:Comptes Rendus. Physique
Subjects:
Electronic structure
Defects
MoS$_{{2}}$
DFT
STM/AFM
Molecular adsorption
Online Access:https://comptes-rendus.academie-sciences.fr/physique/articles/10.5802/crphys.72/

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https://comptes-rendus.academie-sciences.fr/physique/articles/10.5802/crphys.72/

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