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Two-dimensional Janus PtSSe for Photocatalytic Water Splitting under Visible or Infrared Light Spectrum

Abstract

Recently, two-dimensional Janus materials have attracted increasing research interest due to their particular structure and great potential in electronics, optoelectronics and piezoelectronics. Here, we propose a 2D Janus PtSSe with compelling photocatalytic properties by means of first-principles calculations. 2D Janus PtSSe exhibits high thermal, dynamic and mechanical stability. Most remarkably, single-layer PtSSe harbors an indirect band gap of 2.19 eV, high absorption coefficients at visible light region, appropriate band edge positions and strong ability in carrier separation and transfer, thus rendering it a promising candidate for photocatalytic water splitting. Moreover, double-layer PtSSe with different stacking configurations are extraordinary photocatalysts for water splitting even under the infrared light, arising from their small band gaps as well as the build-in electrical field. Our results reveal 2D PtSSe with high experimental feasibility as a new platform for the overall water splitting reaction.

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Publication details

The article was received on 21 Sep 2018, accepted on 26 Nov 2018 and first published on 29 Nov 2018


Article type: Paper
DOI: 10.1039/C8TA09177C
Citation: J. Mater. Chem. A, 2018, Accepted Manuscript
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    Two-dimensional Janus PtSSe for Photocatalytic Water Splitting under Visible or Infrared Light Spectrum

    R. Peng, Y. Ma, B. Huang and D. Ying, J. Mater. Chem. A, 2018, Accepted Manuscript , DOI: 10.1039/C8TA09177C

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