We develop and apply theory and computational methods to understand, design and discover materials for electronics, optoelectronics, energy conversion, and energy storage. Example applications include transistors, solar cells, catalysts, batteries, and supercapacitors.
Currently, we focus on the electrons in materials.
On the physics side, we study the electron transport, such as mobility, saturation velocity, and transport across metal-semiconductor junction. These studies can help improve electronic and optoelectronic devices.
On the chemistry side, we study the electrochemical reactions for energy conversion and storage, such as those in water splitting, CO2/N2 reduction, batteries and supercapacitors.
We have been working on 2D materials extensively.
We mainly use quantum mechanics derived approaches, e.g. Density Functional Theory.
We also have experience and interest in other topics, such as growth, defect structures and thermo-catalysis, and are open to collaborations and new opportunities.