Highlights [show all]
Novel doping alternatives for TMDs
We use density functional theory to study substitutionnal and interstitial doping of molybdenum and tungsten dichalcogenides with a large fraction of the periodic table.
We characterized the interface between fcc Cu and various single-layer transition metal dichalcogenides (TMDs) using density functional theory calculations.
Welcome to our website!
Our research focuses on atomistic simulations of materials and devices for interest to nanoelectronics and energy. Materials include two dimensional materials, glassy oxides, chalcogenides and their interaction with metals. In order to span timescales and lengthscales we use a wide range of atomistic methods including density functional theory and molecular dynamics simulations. Additionally, we develop methods to describe emerging device operation and novel materials.