Band Gap and Nanostructural Engineering of TiO2
We aim to produce engineered nanostructures that will enable highly-efficient production of hydrogen via electrolysis of water using the visible solar spectrum. TiO2 has been proven to be one of the most stable materials for solar-hydrogen cells, but has a wide band gap, absorbing in the UV and limiting its performance in the visible spectrum. In this project, we will focus primarily on engineering (1) the nanostructural features and (2) the band gap of the TiO2. In theoretical direction, I model supercells of doped or co-doped TiO2 and try to investigate the nature of TiO2 band structure under the influence of different doping materials with different concentrations through ab-initio modeling. Meanwhile, hydrothermal synthesis and characterizations of doped TiO2 is the main goal of my experimental study.