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Highly Efficient Polarized GeS/MoSe 2 van der Waals Heterostructure for Water Splitting from Ultraviolet to Near‐Infrared Light
Author(s) -
Gu Di,
Tao Xiaoma,
Chen Hongmei,
Zhu Weiling,
Ouyang Yifang,
Du Yong,
Peng Qing
Publication year - 2020
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201900582
Subject(s) - heterojunction , materials science , van der waals force , monolayer , ultraviolet , optoelectronics , photocatalysis , water splitting , band gap , infrared , nanotechnology , optics , chemistry , physics , molecule , organic chemistry , biochemistry , catalysis
A high‐efficiency photocatalyst is critical for water splitting by solar light. Herein, via first principles calculations, the 2D polarized GeS/MoSe 2 van der Waals (vdW) heterostructure is proposed as an efficient water redox photocatalyst. The performance of GeS/MoSe 2 heterostructure is better than isolated materials, as the properties of GeS monolayer and MoSe 2 monolayer are complementary by forming vdW heterostructure. GeS/MoSe 2 heterostructure possesses suitable bandgap, dipole‐induced internal electric field, and excellent solar absorption performance. The band alignments of GeS/MoSe 2 heterostructure are suitable compared with the redox potential of water. It is feasible to tune the optoelectronic properties and enhance photocatalytic activity of GeS/MoSe 2 heterostructure via strain engineering. Biaxial compressive strain range from −2% to −3% induces the direct bandgap characteristic in GeS/MoSe 2 heterostructure. The results suggest that 2D polarized GeS/MoSe 2 vdW heterostructure is a potential novel high‐efficiency photocatalyst for water splitting under a wide range of spectra from ultraviolet to near infrared.