High Throughput DFT Calculations on Single Atom Catalysts for Solar Fuel Generation

Fossil fuels have been the primary source of rising energy requirements for humankind. However, the extensive use of fossil fuels has led to an increase in Earth's surface temperature. To tackle rising energy demands and the increase in Earth's surface temperature, various organizations like Inter-governmental Panel for Climate Change and the...

Cyclohexane photo-catalytic oxidation on TiO2, an in situ ATR-FTIR mechanistic and kinetic study

Chemical processes are generally operated at elevated temperatures and pressures, and energy intensive separations are usually necessary. This thesis focuses on the production of cyclohexanone, which is an intermediate of high commercial importance as a result of its use in nylon-6 and nylon-6,6 production. Using TiO2 based photo-catalysis is a...