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Issue 9, 2019
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Enhanced photocatalytic performance of black phosphorene by isoelectronic co-dopants

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Abstract

Black phosphorene has been proposed as a high-efficiency metal-free two-dimensional photocatalyst for hydrogen production by visible light-driven water splitting. In this work, based on the screening of materials by density functional theory calculations, the potentials of group IV and group VI isoelectronic co-doped black phosphorenes (BPs) as candidate photocatalysts were comprehensively evaluated. According to the essential criteria of stability, electronic structure features, as well as visible light photocatalytic hydrogen production performance, we identified Si–S, Si–Se, Ge–S and Ge–Se co-doped BPs as promising catalysts. We highlighted that the isoelectronic co-doping process is geometrically and thermodynamically favorable. Interestingly, the isoelectronic co-dopants did not affect the direct and clean band gap nature of pure BP, and they also enhanced the photocatalytic hydrogen production properties, retaining a strong anisotropic feature. We believe that our findings will shed light on the modulation and development of BP based metal-free two-dimensional photocatalysts.

Graphical abstract: Enhanced photocatalytic performance of black phosphorene by isoelectronic co-dopants

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Publication details

The article was received on 21 Jun 2019, accepted on 17 Jul 2019 and first published on 18 Jul 2019


Article type: Research Article
DOI: 10.1039/C9QI00750D
Inorg. Chem. Front., 2019,6, 2369-2378

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    Enhanced photocatalytic performance of black phosphorene by isoelectronic co-dopants

    X. Yang, B. Sa, C. Xu, H. Zhan, M. Anpo and Z. Sun, Inorg. Chem. Front., 2019, 6, 2369
    DOI: 10.1039/C9QI00750D

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