姓名:刘创伟
职称:特任研究员
单位:中国科学技术大学
邮箱:liucw@ustc.edu.cn
主要从事第一性原理计算+机器学习，探究多相催化反应过程中每个基元反应之间的关联，实现对stability-activity-selectivity三者之间的关系的构建。并通过开发“人工智能+多相热催化”互联平台，发展“数据驱动的高通量筛选-精准智能合成-定向重构”三位一体的研究范式，将人工智能高通量模型和精准的化学理论高效耦合，从而实现催化材料的高效理论设计与精准构筑，目前主持多项国家和省部级项目，累计纵向经费1200余万。目前在国际知名SCI期刊如J. Am. Chem. Soc., Angew. Chem. Int. Ed., Adv. Mater., 等国内外知名期刊发表论文80余篇。
1. Liu, J., Wu, Y., Wang, L., Ma, Q., Zhang, Q., Liu, C.*, Zhang, Z., Chen, Z., Stabilizing Cu0/Cu+ Interfaces via High‐Entropy Electrochemical Potential Regulation Strategy for Enhanced CO2‐to‐Ethylene Conversion in Acidic Medium. Adv. Mater. 2025, 37, e10267.
2. Wang, T., Wu, Q., Han, Y., Guo, Z., Chen, J., Liu, C.*, Advanced theoretical modeling methodologies for electrocatalyst design in sustainable energy conversion. Appl. Phys. Rev. 2025, 12, 011316.
3. Guo, Z., Yu, Y., Li, C., Campos dos Santos, E., Wang, T., Li, H., Xu, J., Liu, C.*, Li, H., Deciphering Structure-Activity Relationship Towards CO2 Electroreduction over SnO2 by A Standard Research Paradigm. Angew. Chem. Int. Ed. 2024, 63, e202319913.
4. Liu, C., Hao, D., Ye, J., Ye, S., Zhou, F., Xie, H., Qin, G., Xu, J., Liu, J., Li, S., Sun, C., Knowledge-Driven Design and Lab-Based Evaluation of B-doped TiO2 Photocatalysts for Ammonia Synthesis. Adv. Energy Mater. 2023, 13, 2204126.
5. Liu, C., Wang, Q., Guo, J., Vegge, T., Chen, P., Hansen, H. A., Formation of a Complex Active Center by Ba2RuH6 for Nondissociative Dinitrogen Activation and Ammonia Formation. ACS Catal. 2022, 12, 4194-4202.