小分子催化转化反应的第一性原理计算；
能源催化材料设计与研究；
基于高通量筛选与机器学习方法的新材料设计。
刘远，南开大学讲师。天津大学工学博士，2026年入职南开大学材料科学与工程学院。主要从事单原子材料等的磁性和催化性能的第一性原理计算。迄今，以第一或共一作者在国际著名期刊Nature Catalysis、Nature Communications、Journal of the American Chemical Society、Angewandte Chemie International Edition、ACS Applied Materials & Interfaces等期刊上发表SCI论文10篇。参与多项国家自然科学基金面上项目等。
工作经历
2026.7 -- 至今 南开大学 材料科学与工程学院，讲师
教育经历
2022.09 -- 2026.06 天津大学 材料学科学与工程学院，工学博士（导师：邓意达教授）
2024.09 -- 2026.03 新加坡南洋理工大学 材料学科学与工程学院，联合培养（导师：徐梽川院士）
2019.09 -- 2022.06 天津大学 理学院，理学硕士
所获荣誉
2021年，硕士国家奖学金
2022年，天津大学优秀硕士毕业论文
2022年，天津大学优秀毕业生
2025年，博士国家奖学金
2026年，天津大学优秀毕业生
1. Yuan Liu, Xixi Ren, Jiajun Wang, Haozhi Wang,* Zexiang Yin, Yang Wang, Wenjie Huang, Xiaolin Hu, Zhichuan J. Xu,* and Yida Deng*, Spin-State Effect of Tetrahedron-Coordinated Single-Atom Catalysts on CO2 Electroreduction. Journal of the American Chemical Society 2025, 147 (24), 20318-20328.
2. Yuan Liu, Zihan Shen, Zexiang Yin, Heng Zhao, Jiayi Qin, Yang Wang, Yaqiong Su, Haozhi Wang,* Wenbin Hu, Zhichuan J. Xu,* and Yida Deng*, High-Throughput Theoretical Screening of Single-Atom Catalysts for Electrochemical Urea Synthesis. Angewandte Chemie International Edition 2025, e16299.
3. Tianze Wu#, Chencheng Dai#, Yuwei Zhang#, Yuan Liu#, Qian Wu, Kamal Elouarzaki, Fanxu Meng, Xinlong Lin, Mudi Wu, Adrian C. Fisher & Zhichuan J. Xu Ammonia splitting with electrode alternating for durable hydrogen production，Ammonia splitting with electrode alternating for durable hydrogen production. Nature Catalysis 2026, 655-665.
4. Longcheng Zhang#, Yuan Liu#, Ling Li#, Xiaoning Li, Pengfei Song, Ting Chen, Qian Wu, Justin Zhu Yeow Seow, Kai Tang, Shirong Sun, Xiaodong Guo*, and Zhichuan J. Xu*, Arylthiol-modulated silver catalysts with tailored binding affinity for selective nitrate-to-ammonia conversion.Nature Communication 2026, 17, 2553.
5. Yanhui Cao#, Yuan Liu#, Xuerong Zheng,* Jingxia Yang, Haozhi Wang, Jinfeng Zhang, Xiaopeng Han, Yida Deng,* Günther Rupprechter,* and Wenbin Hu, Quantifying Asymmetric Coordination to Correlate with Oxygen Reduction Activity in Fe-Based Single-Atom Catalysts. Angewandte Chemie International Edition 2025, 64 (14), e202423556.
6. Qikai Shen#, Chencheng Dai#, Yuan Liu#, Yuwei Zhang, Pengfei Song, Pinxian Xi, Shibo Xi, Adrian C. Fisher, Kamal Elouarzaki,* and Zhichuan J. Xu*, Atomically Dispersed Zn and Ir Synergistic Modulation of Substrate and Active Sites for High-Performance Ammonia Oxidation. Angewandte Chemie International Edition 2025, e202513465.
7. Yuan Liu, Yuhuan Ye, Yudan Li, Haolin Du, Zexiang Yin, Mianfeng Li, Zhong Huang, Xuerong Zheng, Haozhi Wang*, Yang Wang*, Yida Deng*, Mechanism of CO2 hydrogenation over θ-Fe3C catalyst: First-principles calculations combined with micro-kinetic modeling. Molecular Catalysis 2024, 556.
8. Yuan Liu and Liying Wang*, Effects of Interfacial Termination, Oxidation, and Film Thickness on the Magnetic Anisotropy in Mn2.25Co0.75Ga0.5Sn0.5/MgO Heterostructures. ACS Applied Materials & Interfaces 2021,13 (39), 47293-47301.
9. Yuan Liu, Li Huang, Hongshuang Liu, and Liying Wang*, Theoretical scheme of nonvolatile strain-switchable high/low resistance based on novel strain-tunable magnetic anisotropy in the Mn2.25Co0.75Ga0.5Sn0.5/MgO superlattice. Physical Chemistry Chemical Physics 2022, 24 (13), 7826-7835.
10. Yuan Liu, Li Huang, and Liying Wang*, Large magnetoresistance and spin-polarized photocurrent in Mn2.25Co0.75Ga0.5Sn0.5/MgO/Mn2.25Co0.75Ga0.5Sn0.5 magnetic tunnel junctions.Computational Materials Science 2023, 221.
11. Longcheng Zhang, Yuan Liu, Ling Li, Tianze Wu, Qian Wu, Justin Zhu Yeow Seow, Xiu Lin, Shirong Sun, Leonhard Tannesia, Kai Tang, Dongsheng Shao, Shibo Xi, Xiaodong Guo* and Zhichuan J. Xu*, High-efficiency ammonia electrosynthesis from nitrate on ruthenium-induced trivalent cobalt sites. Energy Environ. Sci. 2025, 18 (11), 5622-5631.
12. Qingfeng Hu, Yuan Liu, Xuerong Zheng, Jinfeng Zhang, Jiajun Wang∗, Xiaopeng Han, Yida Deng∗, Wenbin Hu, How the surface Cu layer affected the activity of Ni foil for alkaline hydrogen evolution. Journal of Materials Science & Technology 2024, 169, 11-18.
13. Rui Jiang,# Fuhua Li,# Yuan Liu, Yumin Da, Tianshu Gao, Zihao Li, Hongbin Yang, Qing Mao,* Yida Deng,* and Bin Liu*, Gradient Built-in Electric Fields in Janus Catalysts Govern Hydrogen Evolution via pH Dependent Mechanisms. ACS Energy Letter 2025, 10, 5900−5907.