Rational catalyst design for photo- and electrochemical hydrogenation reactions

Abstract

Environmental pollution is an urgent threat to human health and the survival of life forms on land and in water. This crisis is fuelled by industrial, agricultural, and biomedical chemical waste, alongside the use of fossil fuels, which significantly contribute to greenhouse gas emissions. In addition to reducing pollutant discharge, transitioning from fossil fuels to renewable technologies is vital due to their finite nature. Heterogeneous catalysis offers a promising approach to valorise pollutants by converting them into valuable feedstocks, utilising mild reaction conditions in photo- and electrochemical processes, and minimising chemical waste. This waste reduction is enabled by the ease of catalyst separation and recycling, prevention of metal and organic contamination, and the use of water and alcohols as solvents. Accelerating catalyst discovery is crucial, and this is best achieved by integrating experimental and theoretical approaches. Computational studies, in particular, can elucidate the relationship between catalyst structure and efficiency, providing insights into how to tailor catalysts for improved performance.

This thesis investigates three heterogeneous catalytic reactions in collaboration with experimentalists.