2 papers
cond-mat.mtrl-sci2025
A first-principles theoretical study on two-dimensional MX and MX metal halides: bandgap engineering, magnetism, and catalytic descriptors
Yu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L. Mendoza-Cortes
Metal halides, particularly MX and MX compounds (where M represents metal elements and X = F, Cl, Br, I), have attracted significant interest due to their diverse electronic an…
cond-mat.mtrl-sci2025
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 transition metal dichalcogenides (TMDCs) (M = Mo…