Kavli Affiliate: Archana Raja| Summary:Chalcogen vacancies in monolayer transition metal dichalcogenides (TMDs), such as WS$_2$, play a crucial role in various applications ranging from optoelectronics and catalysis to quantum information science (QIS), making their identification and control essential. This study focuses on WS$_2$ single vacancy and vacancy pairs. Using first principles computations, we investigate their […]
Continue.. First principles and scanning tunneling spectroscopical evidences for thermodynamically stable “on-top” sulfur divacancy in monolayer WS$_2$