(1) Development of theory and the application of computational methods to study Heterogeneous catalysis
(2) Developing next-generation technologies of energy conversion and storage, aided by an interdisciplinary approach of combining high throughput and autonomous experimentation with artificial intelligence.
2025/02-present: Dalian Institute of Chemical Physics, CAS, Professor
2023/11-2025/01: Dalian Institute of Chemical Physics, CAS, Associate Professor
2022/06-2023/10: Northeastern University, China, Associate Professor
2019/10-2022/05: Technical University of Denmark, Denmark, Postdoc
2016/04-2019/12: Monash University, Australia, Ph.D, Computational Chemistry
[1] Z. Guo, Y. Yu, C. Li, E. Campos dos Santos, T. Wang, H. Li, J. Xu, C. Liu*, H. Li*, Deciphering Structure-Activity Relationship Towards CO2 Electroreduction over SnO2 by A Standard Research Paradigm. Angew. Chem. Int. Ed. 2024, 63, e202319913.
[2] C. Liu, D. Hao. G. Qin, S. Li, C. Sun, Knowledge-Driven Design and Lab-based Evaluation of B-doped TiO2 Photocatalysts for Ammonia Synthesis. Adv. Energy Mater. 2023, 13, 2204126.
[3] C. Liu, T. Wang, S. Li, C. Sun, Two-dimensional, Metal-Free Electrocatalysts for the Nitrogen Reduction Reaction. Adv. Funct. Mater. 2023, 33, 2210759.
[4] C. Liu, Q. Wang, J. Guo. T. Vegge, P. Chen, H. Hansen, Ba2RuH6 Forming a Complex Active Center for Non-dissociative Dinitrogen Activation and Ammonia Formation. ACS Catal. 2022, 12, 4194.
[5] C. Liu, Q. Li, C. Wu, J. Zhang, Y. Jin, D. R. MacFarlane, C. Sun, Single-Boron Catalysts as Nitrogen Reduction Catalysts. J. Am. Chem. Soc. 2019, 141, 2884.