Bing Huang Email and Phone Number

My research interest focuses on the the development of conceptual theories to predict the strength of chemical interactions between various kinds of chemical species, on the application of ab initio methods, especially density functional theory (DFT) to explore the electronic structure of complex materials. I am particularly interested in the following research projects:1. unravelling the mysterious nature of bonding in various kinds of materials like alloys, transition metal oxides, perovskite, etc. The unusual bonding in chemisorption is also very fascinating.2. developing conceptual theories that directly asses the bond strength without (or with minimum) complicated “unphysical” first-principle calculations. Among these theories, the chemical reactivity theory of solid surface is of top priority due to its great challenge and importance in heterogeneous catalysis. 3. utilizing the previously-developed conceptual ideas (or purely from ab initio methods) to rationally design efficient catalysis towards many significant chemical reactions, for example, the ammonia synthesis reaction, the oxygen reduction reaction and hydrogen evolution reaction, etc.