Issue 19, 2019

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 research studies in this field focus on homogeneous materials. Using first-principles calculations, and nonadiabatic molecular dynamics, we show a promising way to achieve photocatalysts for overall water splitting based on stacked 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 acts on the electrostatic potential and the dipole moment. Most importantly, the decomposition of 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 system is 57 ps, indicating a relatively low dynamic rate for electron–hole recombination.

Graphical abstract: GeSe@SnS: stacked Janus structures for overall water splitting

Supplementary files

Article information

Article type
Paper
Submitted
13 Mar 2019
Accepted
15 Apr 2019
First published
16 Apr 2019

J. Mater. Chem. A, 2019,7, 12060-12067

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, 7, 12060 DOI: 10.1039/C9TA02716E

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