期刊论文

Tang, Zhen-Kun

英文

2D Materials

2053-1583

2015

2

3

034014-

10.1088/2053-1583/2/3/034014

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51222212, 11447011, 51572016]; MOST of China (973 Project)Ministry of Science and Technology, ChinaNational Basic Research Program of China [2011CB922200]; Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [2015JJ6013]; Science Foundation of Hengyang Normal University [13B41]; Hunan Provincial Applied Basic Research Base of Optoelectronic Information Technology [GDXX002, GD15K04]; Construct Program for Key Disciplines in Hunan Province

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Two-dimensional (2D) van der Waals (vdW) heterostructures have received a lot of attention because of their wide applications in electronics and optoelectronics. In this work, the electronic structures and optical properties of nickel hydroxides (Ni(OH)2) and transition metal dichalcogenides (XS2, X = Mo,W) heterostructures are studied by hybrid density functional theory. The results reveal that all the considered Ni(OH)2-XS2 heterostructures are indirect semiconductors with a band gap of 0.040-0.825 eV. Additionally, the AB stacked Ni(OH)2-XS2...