Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides
Hope Bretscher, Zhaojun Li, James Xiao, Diana Y. Qiu, Sivan Refaely‐Abramson, Jack Alexander-Webber, Arelo Tanoh, Ye Fan, Géraud Delport, Cyan A. Williams, Samuel D. Stranks, Stephan Hofmann, Jeffrey B. Neaton, Steven G. Louie, Akshay Rao
Abstract
, allows for controllable and improved mobilities and an increase in photoluminescence up to 275-fold, more than twice the value achieved by other chemical treatments. Our findings suggest a route for simple and rational defect engineering strategies for tunable and switchable electronic and excitonic properties through passivation.
Topics & Concepts
PassivationVacancy defectExcitonMaterials scienceMonolayerPhotoluminescenceDensity functional theoryTransition metalChemical physicsAb initioAb initio quantum chemistry methodsOptoelectronicsNanotechnologyCondensed matter physicsComputational chemistryCrystallographyChemistryMoleculeCatalysisLayer (electronics)Organic chemistryBiochemistryPhysics2D Materials and ApplicationsPerovskite Materials and ApplicationsMXene and MAX Phase Materials