Electronic, optical and photocatalytic properties of fully hydrogenated GeC monolayer
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Date
2020
Authors
Vu, T.V.
Anh, N.T.T.
Hoat, D.M.
Tran, D.P.
Tong, H.D.
Luong, H.L.
Hieu, L.M.
Nguyen, C.V.
Phuc, H.V.
Binh, N.T.T.
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Physica E: Low-Dimensional Systems and Nanostructures, 2020; 117(113857):1-6
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In this work, we study the electronic, optical, and photocatalytic properties of fully hydrogenated GeC monolayer under strain engineering and external electric field using first-principles investigations. Our calculations demonstrate that at the equilibrium state, fully hydrogenated GeC monolayer is a indirect semiconductor with band gap of 3.493 eV and it possesses photocatalytic characteristics for water splitting and in particular, photocatalytic activities can be enhanced by a negative electric field under ultraviolet light.We can control the band gap of fully hydrogenated GeC monolayer by biaxial strain or external electric field and semiconductor-metal phase transition happens at certain elongation of biaxial strain. Compared to pure monolayer GeC, the fully hydrogenation causes optical absorption peaks of GeC shifting to a higher energyregion. While the optical spectra of the fully hydrogenated GeC monolayer are strongly dependent on the strain, the effect of the electric field on them is negligible. Our findings can provide useful information for the applicability of fully hydrogenated GeC monolayer in nanoelectronic devices and photocatalytic water splitting.
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Copyright 2019 Elsevier
Access Condition Notes: Accepted manuscript available after 1 January 2022