QCM-2015-1-0043:Modelling 2D Transition Metal Dichalcogenide Heterostructures


Status: submitted project

While two-dimensional (2D) materials have shown novel and exciting properties for both scientific research and industrial applications. In particular, 2D transition metal dichalcogenides (TMDs) are gaining increasing attention. This project aims to to use state-of-the-art predictive first-principles calculation methods to explore and understand new physical phenomena emerging in 2D TMDs heterostructures and to design advanced 2D materials with controllable properties by stacking different atomic layers of TMDs. With internation collaborations, the progress of this project in
exploring and understanding new physics of 2D TMDs and developing novel devices will have profound impacts on condensed matter physics, material science, as well as nano- and bio-science in the next decade.


We will first calculate the electronic structures of different stacked TMD layers as a starting point for subsequent analysis.


Angel Rubio
Umberto de Giovannini
Sener Sen
Lede Xian
Pierluiggi Cudazzo