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Enhanced photocatalytic activity for water splitting of blue-phase GeS and GeSe monolayers via biaxial straining

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Abstract

The structural, electronic, dipole-induced internal electric field, optical and photocatalytic properties of monolayer GeS and GeSe under external biaxial strain were investigated by using first-principles calculations. The monolayer GeS and GeSe are indirect semiconductors with the band gaps of 3.265 eV and 2.993 eV, respectively. The band alignment of the monolayer GeS and GeSe manifests the photocatalytic activity for water splitting. Especially, it is effective to tune the properties including structures, band gaps, surface potential difference, dipole moment P, dipole-induced internal electric field, absorption and photocatalytic activity of the monolayer GeS and GeSe via biaxial strain. Our results suggest that monolayer GeS and GeSe possess photocatalytic properties for water splitting, and strain engineering, especially tensile strain, can enhance the photocatalytic activity under ultraviolet and visible light.

Graphical abstract: Enhanced photocatalytic activity for water splitting of blue-phase GeS and GeSe monolayers via biaxial straining

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Publication details

The article was received on 05 Nov 2018, accepted on 02 Jan 2019 and first published on 03 Jan 2019


Article type: Paper
DOI: 10.1039/C8NR08908F
Citation: Nanoscale, 2019, Advance Article
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    Enhanced photocatalytic activity for water splitting of blue-phase GeS and GeSe monolayers via biaxial straining

    D. Gu, X. Tao, H. Chen, W. Zhu, Y. Ouyang and Q. Peng, Nanoscale, 2019, Advance Article , DOI: 10.1039/C8NR08908F

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