Density-functional techniques are powerful tools to provide atomic-scale understanding and realistic prediction of material properties, thanks to the ever-increasing computer power and the development of more efficient and accurate methodologies. In this talk, I will highlight several examples of our study of nanoscale systems important in energy storage and conversion. In particular, I will present the theoretical study of the degradation of the hybrid perovskite materials in perovskite solar cells (PSCs). This provides crucial understanding for the design of robust perovskite materials in photovoltaic applications. I will also discuss our study of electrocatalysts for hydrogen evolution and oxygen reduction reactions which are important for efficient and clean energy storage.   

Dr. Patrick Sit is an assistant professor in the School of Energy and Environment at the City University of Hong Kong. He received his undergraduate degree in Physics from the University of Oxford and PhD in Physics from MIT. Prior to joining City University of Hong Kong, he was an associate research scholar in the Department of Chemistry at Princeton University and a post-doctoral associate in the Department of Chemistry at the University of Pennsylvania.