Theoretical study on the intrinsic properties of In2Se3/MoS2 as a photocatalyst driven by near-infrared, visible and ultraviolet light
作者： Jin-Rong Zhang , Xi-Zi Deng , Bin Gao , Lang Chen , Chak-Tong Au
DOI: 10.1039/C9CY00997C
关键词: Charge carrier 、 Ultraviolet light 、 Absorption (electromagnetic radiation) 、 Effective mass (solid-state physics) 、 Materials science 、 Infrared 、 Heterojunction 、 Optoelectronics 、 Photoelectric effect 、 Direct and indirect band gaps
摘要: Two-dimensional photocatalysts with full optical absorption have attracted widespread attention for water splitting and pollutant degradation, but only few single materials can meet this criterion. In the present work, first time, we theoretically constructed an In2Se3/MoS2 heterostructure composite disclosed its outstanding oxidation ability catalysis. The results revealed that comprised van der Waals heterojunctions. With binding energy of 0.315 J m−2, was thermodynamically stable. An indirect band gap 0.88 eV obtained, which smaller than monolayer. Facilitated by type-II heterostructure, there migration photoinduced electrons from MoS2 to In2Se3 monolayer, promoting separation charge carriers. Moreover, mobility carriers in excellent because their small effective mass infrared, visible ultraviolet light. It found electronic properties were strain-tunable. Specifically, under a strain 4%, changed p-type n-type, light further broadened near-infrared region. Certain aspects theoretical findings observed experimentally. is envisioned potential photoelectric material experimental research area photocatalysis.
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