How Can We Engineer Electronic Transitions Through Twisting and Stacking in TMDC Bilayers and Heterostructures? A First-Principles Approach

Yu-Hsiu Lin, William P. Comaskey, Jose L. Mendoza-Cortes

Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX${}_2$ transition metal dichalcogenides (TMDCs) (M = Mo…