October 11, 2025
Report
Vibrational Signatures of S Vacancies in monolayer tungsten disulfide
Abstract
S vacancies in WS2 affect material performance but a difficult to detect. In this work I use theoretical simulations to predict the vibrational frequencies associated with S vacancies in monolayer WS2. I report the phonon spectrum and band structure of the isolated monolayer and the frequencies that are introduced to the spectrum when a vacancy is created.Published: October 11, 2025