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arXiv · 1910.06543

Spontaneous photo-generated carrier separation of SnO/BiOX (X=Cl, Br, I) bilayer under visible light irradiation for water splitting

Yanyu Liu·Peng Lv·Wei Zhou·Jiawang Hong
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Abstract

Alloying in 2D materials plays a more and more important role due to wide range bandgap tunability and integrating the advantages of HER and OER. Here, the novel bilayers of SnO/BiOX (X= Cl, Br and I) bilayer are constructed to integrate the advantages of narrow bandgap and separating photo-generated carriers. The bandgap of the bilayers can be tuned from 1.09 to 1.84 eV, remarkably improving the utilization of solar energy. The large difference in effective masses and built-in electric field effectively hamper the fast recombination of photo-generated carries, which highly enhances the photocatalytic efficiency. Besides that, the type-II band alignment guarantee the two half reactions could occur at different surfaces. Moreover, the optical absorption (the strong transition between band edges and high joint density of states) and band-edge level further confirm the SnO/BiOX (X= Cl and Br) bilayer is a promising candidate for overall water-splitting.

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Yanyu Liu, Peng Lv, Wei Zhou, Jiawang Hong. 2019-10-15. Spontaneous photo-generated carrier separation of SnO/BiOX (X=Cl, Br, I) bilayer under visible light irradiation for water splitting. https://doi.org/10.1021/acs.jpcc.0c00321

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