The Cao lab studies the fundamental issues related to the energy and environmental concerns that have attracted considerable attention. We design and develop a variety of molecular complexes and solid materials to investigate the basic concepts and mechanisms involved in energy conversion with emphases placed on catalytic small molecule activation, which includes water splitting, oxygen reduction and carbon dioxide fixation. Expertise in synthesis, crystallography, electrochemistry, and many other spectroscopic and physical techniques permits us to study various catalytic systems, obtain valuable insights into the structure-and-activity relationship, and ultimately guides us in the further design of new systems with targeted reactivity. Since the establishment in 2011, the Cao lab has received funding supports from the “Thousand Talents Program” of China, the National Natural Science Foundation of China, the Fundamental Research Funds for the Central Universities, and the Research Funds of Shaanxi Normal University and Renmin University. Students and young scientists who are interested in solving important scientific problems, particularly those associated with clean and sustainable energy supply, are welcome to join.