Design of Self-Assembled Monolayer in Tungsten Diselenide Bilayer for Exciton Dissociation.

Transition metal dichalcogenides (TMDs) have emerged as promising candidates for next-generation self-powered photodetectors due to their distinct optoelectronic properties, including strong light-matter interactions. However, their high exciton binding energies impede efficient exciton dissociation, hindering viable photodetector applications. This study, based on first-principles calculations, introduces a design approach featured by the asymmetrically enclosed structure of the TMD bilayer, i.