Defect Geometry and Concentration Controlled Excitonic Landscape in Monolayer MX 2 - family: A Systematic G 0 W 0 -BSE Study of Chalcogen Vacancies
This study combines systematic G₀W₀-BSE calculations with experimental measurements to reveal how chalcogen vacancy concentration and geometry in monolayer MoS₂, MoSe₂, and WSe₂ govern the formation and redistribution of distinct defect-induced excitonic states, thereby establishing a framework for engineering excitonic spectra for quantum technologies.