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GeSe@SnS: Stacked Janus Structures for Overall Water Splitting

Abstract

Two-dimensional materials with an intrinsic electric field have recently emerged as a new class of photocatalysts with high efficiency. Currently, all researches in this field focus on homogenous materials. Using first-principles calculations, and nonadiabatic molecular dynamics, we show a promising way to achieve photocatalysts for overall water splitting based on stacking Janus structures. We demonstrate that stacking SnS and GeSe Janus structures leads to an electric field and excellent photocatalytic performance for overall water splitting. We reveal how the type of contact surface act on the electrostatic potential and the dipole moment. Most importantly, the decomposed water reaction in such a stacked Janus structure can proceed spontaneously under light irradiation. We also show that the recombination time of excitons for this systems is 57 ps, indicating a relatively low dynamic rate for electron-hole recombination.

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Publication details

The article was received on 13 Mar 2019, accepted on 15 Apr 2019 and first published on 16 Apr 2019


Article type: Paper
DOI: 10.1039/C9TA02716E
Citation: J. Mater. Chem. A, 2019, Accepted Manuscript

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    GeSe@SnS: Stacked Janus Structures for Overall Water Splitting

    H. Yang, Y. Ma, S. Zhang, H. Jin, B. Huang and Y. Dai, J. Mater. Chem. A, 2019, Accepted Manuscript , DOI: 10.1039/C9TA02716E

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