Journal of molecular modeling
Effects of Si-doped and shear strain on the optoelectronic properties of WSe2: A first principles study.
Zilian Tian, Lu Yang, Jianlin He
Published: 202510.1007/s00894-025-06608-0
Abstract
CONTEXT: Two-dimensional transition-metal dichalcogenides such as WSe2 are promising platforms for tunable optoelectronic devices. Here, first-principles molecular modeling is used to examine how substitutional Si doping combined with shear strain tu…
Preview only. Read the full abstract at the source