Starting with the discovery of graphene in 2004, the field of two-dimensional (2D) materials has rapidly expanded and becomes the most active research field in natural science. 2D materials have demonstrated many unprecedented properties that can lead to revolutionary changes for various technologies. The current research trend in this field is (1) to investigate the properties of existing 2D materials (graphene, silicene, transition metal dichalcogenides, phosphorene, etc.); and (2) to predict and explore new 2D materials.
In this project, we will pursue the two targets above. We will use first-principles computational techniques (based on the density functional theory) to study the physical properties of 2D materials (including their electronic, magnetic, optical, and mechanical properties), and to explore ways to tune their properties for application purposes. We will also use computational tools to design new 2D materials.