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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| Main Authors: | , , , , , |
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| Format: | Article |
| Published: |
American Institute of Physics
2020
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/25761/ https://doi.org/10.1063/5.0013866 |
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