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Electronic properties of blue phosphorene/transition metal dichalcogenides van der Waals heterostructures under in-plane biaxial strains
发布时间：2025-04-30
- 论文名称：
- Electronic properties of blue phosphorene/transition metal dichalcogenides van der Waals heterostructures under in-plane biaxial strains
- 发表刊物：
- J Solid State Chem.
- 摘要：
- Using first-principles density functional theory, we have investigated the atomic structural and electronic properties of blue phosphorene/transition metal dichalcogenides BP/XT2 (X = Mo, W; T = S, Se) van der Waals (vdW) heterostructures under in-plane biaxial strains. Our results demonstrate that the strain can effectively tune the band gap of BP/XT2 heterostructures and maintain their high carrier mobility. In addition, BP/MoSe2, BP/WS2 and BP/WSe2 vdW heterostructures exhibit indirect-to-direct band gap transitions when the compressive strains reach to the critical values. Moreover, the BP/WT2 (T = S, Se) heterostructures are type-II vdW heterostructures and could be technologically applied as photocatalytic materials. And BP/MoS2 heterostructure undergoes a semiconduction type transition (type-I to type-II) under the external epsilon, which has potential application as an on-off switch in the photocatalytic material. These results show rich behavior of the strain-based in blue phosphorene/transition metal dichalcogenides vdW heterostructures.
- 合写作者：
- W.X. Zhang , W.H. He, J.W. Zhao, C. He*
- 卷号：
- (2018) 265, 257-265
- 页面范围：
- (2018) 265, 257-265
- 是否译文：
- 否
- 发表时间：
- 2018-09-01
