Highlights [show all]
Doped MoTe2 as 2D PCM
Metal-insulator transitions in two dimensional materials represent a great opportunity for fast, low energy, and ultradense switching devices. Due to the small energy difference between its semimetallic and semiconducting crystal phases, phase transition in MoTe2 can occur with an unprecedented small amount of external perturbations.
ReaxFF for Cu/GeS2
To accelerate the search of efficient solid electrolytes for resistive switching device, we developed parameters to describe copper doped germanium sulfides based on ReaxFF. Based on this novel model, we studied the mobility of Cu in amorphous GeS and we investigated the atomic and electronic structure in details.
Welcome to our website!
Our research focuses on atomistic simulations of materials and devices for interest to nanoelectronics. 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.