Our research group at ASU Polytechnic Campus performs first-principles electronic structure calculations to explore novel materials and seek their application in nanoelectronics and renewable energies, as well as to gain a fundamental understanding of the materialsí properties at the atomic level.
Key Research Interests
- First-principle calculations of electronic properties, strain effect and photo-chemical characteristics of group IV, V, III-V, II-VI 2D sheets (graphene and phosphorene), 1D nanowires/nanoribbons/anotubes, for potential application in nano-electronic devices.
- Investigation of novel materials for photocatalysts and high capacity Li-ion battery electrodes through theoretical calculations.
- Investigation of physical and photo-chemical properties of transition metal oxide catalysts via density-functional theory.
- Engineering and testing of Pt-catalyzed proton exchange membrane fuel cell via simulations.
- Development and study of novel Earth-abundant photovoltaic materials for solar cell application.