Two-dimensional Ni(OH)2-XS2 (X = Mo and W) heterostructures
作者： Zhen-Kun Tang , Chuan-Jia Tong , Wei Geng , Deng-Yu Zhang , Li-Min Liu
DOI: 10.1088/2053-1583/2/3/034014
关键词:
摘要: Two-dimensional (2D) van der Waals (vdW) heterostructures have received a lot of attention because their wide applications in electronics and optoelectronics. In this work, the electronic structures optical properties nickel hydroxides (Ni(OH)2) transition metal dichalcogenides (XS2, X = Mo, W) are studied by hybrid density functional theory. The results reveal that all considered Ni(OH)2-XS2 indirect semiconductors with band gap 0.040–0.825 eV. Additionally, AB stacked more stable than AA one. Interestingly, complete electron–hole separation is found heterostructure, its conduction minimum valence maximum located on XS2 Ni(OH)2 layers, respectively. Besides, absorption peaks mainly within visible light region. These fascinating make them promising candidates for 2D
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