Metal to semiconductor transition of two-dimensional NbSe2 through hydrogen adsorption: A first-principles study

Metal to semiconductor transition of two-dimensional NbSe2 through hydrogen adsorption: A first-principles study

Based on first-principles calculations, we predict that the recently synthesized two-dimensional (2D) NbSe2 can be changed from the metallic to the semiconducting phase upon the adsorption of H with an indirect bandgap of 2.99 eV. The bandgap opening of the 2D NbSe2 only occurs when the hydrogen cov...

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Bibliographic Details
Main Authors: Yeoh, Keat Hoe, Chew, Khian Hooi, Yoon, T.L., Rusi, -, Chang, Yee Hui Robin, Ong, Duu Sheng
Format: Article
Published: American Institute of Physics 2020
Subjects:
QC Physics
TK Electrical engineering. Electronics Nuclear engineering
Online Access:http://eprints.um.edu.my/25761/
https://doi.org/10.1063/5.0013866
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Institution: Universiti Malaya

Internet

http://eprints.um.edu.my/25761/
https://doi.org/10.1063/5.0013866

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