期刊论文

Yipeng Zhao

英文

Journal of Physics and Chemistry of Solids

0022-3697

2026

208

113216

10.1016/j.jpcs.2025.113216

CRediT authorship contribution statement Caizhi Wu: Writing – original draft, Investigation, Formal analysis, Data curation. Yipeng Zhao: Writing – review & editing, acquisition, Conceptualization. Liang Ma: Validation, Methodology, acquisition. Yicheng Wang: Visualization, Validation, Methodology, Formal analysis. Zhiqiang Li: Writing – review & editing, Methodology, Conceptualization.

本校为第一且通讯机构

Two-dimensional van der Waals heterojunctions are seen as a powerful strategy to tune the electronic properties and enhance their performance in devices. In this study, we have systematically investigated the electronic properties and energy band alignments of MoS 2 /MSe (M = In, Ga) heterojunctions using first-principles calculations. The MoS 2 /InSe heterojunction exhibits a type-I band alignment, whereas the MoS 2 /GaSe heterojunction presents a type-II band characteristic. Furthermore, the MoS 2 /InSe heterojunction achieves a transition fr...