First-principles study of a molecular adsorption of fluorine on monolayer MoS2

First-principles study of a molecular adsorption of fluorine on monolayer MoS2

We have performed density functional theory (DFT) based first-principles calculations to study the stability, geometrical structures and electronic properties of pure monolayer Molybdenum disulphide (MoS2) and Fluorine (F2) adsorbed monolayer MoS2 within the DFT-D2 level of approximations. Present...

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Bibliographic Details
Main Authors: Hari Paudyal, Nurapati Pantha, Narayan Prasad Adhikari
Format: Article
Language:English
Published: Department of Physics, Mahendra Morang Adarsh Multiple Campus, Tribhuvan University 2015-12-01
Series:Bibechana
Subjects:
Density functional theory
MoS2 monolayer
band structure properties
Online Access:https://www.nepjol.info/index.php/BIBECHANA/article/view/13356

Internet

https://www.nepjol.info/index.php/BIBECHANA/article/view/13356

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