研究方向为谱学技术与能源材料化学，长期致力于发展同步辐射谱学联用及原位实验方法并用于能源催化材料结构及动态演变行为解析。发现了调控材料局域电子和几何结构以提升催化性能的新机制，厘清了使役状态下材料的氧化还原机制和结构演变问题。目前以第一/通讯作者身份在Nat. Energy、Adv. Mater.、Energy Environ. Sci.、Angew. Chem. Int. Ed.等重要专业期刊上发表论文17篇，H指数为44，论文共计被引9300余次。近年主持了国家自然科学基金委员会青年项目、日本学术振兴会特别研究员奖励费等多项研究项目。
[1] Liu, D.; Zhao, Y.; Wu, C.; Xu, W.; Xi, S.; Chen, M.; Yang, L.; Zhou, Y.; He, Q.; Li, X. Triggering electronic coupling between neighboring hetero-diatomic metal sites promotes hydrogen evolution reaction kinetics. Nano Energy 2022, 98,107296.
[2] Liu, D.; He, Q.; Ding, S.; Song, L. Structural Regulation and Support Coupling Effect of Single-Atom Catalysts for Heterogeneous Catalysis. Advanced Energy Materials 2020, 10, 2001482.
[3] Liu, D.; Li, X.; Chen, S.; Yan, H.; Wang, C.; Wu, C.; Haleem, Y. A.; Duan, S.; Lu, J.; Ge, B. Atomically dispersed platinum supported on curved carbon supports for efficient electrocatalytic hydrogen evolution. Nature Energy 2019, 4, 512-518.
[4]* Cao, D. #Liu, D. #; Chen, S.; Moses, O. A.; Chen, X.; Xu, W.; Wu, C.; Zheng, L.; Chu, S.; Jiang, H. Operando X-ray spectroscopy visualizing the chameleon-like structural reconstruction on an oxygen evolution electrocatalyst. Energy & Environmental Science 2021, 14, 906-915.
[5] Zhang, L. #; Liu, D. #; Muhammad, Z.; Wan, F.; Xie, W.; Wang, Y.; Song, L.; Niu, Z.; Chen, J. Single nickel atoms on nitrogen-doped graphene enabling enhanced kinetics of lithium-sulfur batteries. Advanced Materials 2019, 31, 1903955.