Xiaojia Yin, Hui Wang, Biyuan Zheng, Penghui Guo, Yulong Yuan, Yihan Liao, Haitao Zhang, Jieyuan Liang, Haokai Zhou, Ke Luo, Yifan Zheng, Yu Zhou, Qitao Wu, Li Xiang, A. Pan
The development of high-performance p-type two-dimensional (2D) semiconductors ( e.g. , WSe 2 ) is critical for complementary electronics beyond silicon-based technology. While bilayer WSe 2 , indicates superior electrical potential over its monolayer counterpart, owing to reduced contact resistance and suppressed Fermi-level pinning, its scalable synthesis remains challenging due to uncontrolled nucleation and limited understanding of vertical growth mechanisms. Herein, elucidate the atomic-scale pathway of bilayer WSe 2 growth in a molten salt-assisted chemical vapor deposition (CVD) process. Density functional theory (DFT) calculations reveal that WO 2 Cl 2 intermediates promote vertical stacking by cooperatively adsorbing on monolayer template centers, while W 1 Se 1 clusters facilitate epitaxial nucleation. By precisely controlling the Se/WO₃ vapor ratio, we achieve the epitaxial growth of uniform equal-bilayer (EB) WSe 2 with high crystallinity and clean interfaces. Back-gated transistors based on EB- WSe 2 exhibit a high on/off ratio of 10⁷ and a hole mobility of 50.1 cm²V⁻¹s⁻¹ , significantly outperforming the monolayer devices with 14.7-fold enhancement. This work provides a mechanistic foundation for the controlled synthesis of 2D heterostructures and advances the application of 2D semiconductors in post-Moore electronics.