The Journal of chemical physics
Interlayer multi-level orbital coupling in 2D materials: Beyond the two-level paradigm.
Nie-Wei Wang, Xiao-Lin Zhao, Yu-Meng Gao, Xiao-Huan Lv, Peng-Lai Gong, Chen-Dong Jin, Hu Zhang, Jiang-Long Wang, Xing-Qiang Shi
Published: 202510.1063/5.0300415
Abstract
The interlayer orbital interaction (IOI) of two-dimensional (2D) materials and their heterostructures triggers diverse property modifications, driving advancements in interlayer engineering. Previous investigations into IOI have primarily relied on a…
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