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Issue 48, 2019
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The dual-defective SnS2 monolayers: promising 2D photocatalysts for overall water splitting

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Abstract

Photocatalytic water splitting is a promising way to produce hydrogen fuel from solar energy. In this regard, the search for new photocatalytic materials that can efficiently split water into hydrogen is essential. Here, using first-principles simulations, we demonstrate that the dual-defective SnS2 (Ni-SnS2-VS), by both single-atom nickel doping and sulfur monovacancies, becomes a promising two-dimensional photocatalyst compared with SnS2. The Ni-SnS2-VS monolayer, in particular, exhibits a suitable band alignment that perfectly overcomes the redox potentials for overall water splitting. The dual-defective monolayer displays remarkable photocatalytic activity, a spatially separated carrier, a broadened optical absorption spectrum, and enhanced adsorption energy of H2O. Therefore, the dual-defective SnS2 monolayer can serve as an efficient photocatalyst for overall water splitting to produce hydrogen fuel. Furthermore, a novel dual-defect method can be an effective strategy to enhance the photocatalytic behavior of 2D materials; it may pave inroads in the development of solar-fuel generation.

Graphical abstract: The dual-defective SnS2 monolayers: promising 2D photocatalysts for overall water splitting

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Supplementary files

Article information


Submitted
22 Aug 2019
Accepted
08 Nov 2019
First published
08 Nov 2019

Phys. Chem. Chem. Phys., 2019,21, 26292-26300
Article type
Paper

The dual-defective SnS2 monolayers: promising 2D photocatalysts for overall water splitting

B. Sainbileg, Y. Lai, L. Chen and M. Hayashi, Phys. Chem. Chem. Phys., 2019, 21, 26292
DOI: 10.1039/C9CP04649F

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