Cong Xi Lecturer
Phone: 18322518267
Email: congxi@email.tjut.edu.cn
Address: No. 391 Bin Shui Xi Dao Road, Xiqing District, Tianjin 300384, China
Education history
2017 School of Materials Sci. & Eng. Hebei University of Technology, Bachelor's Degree;
2022 School of Materials Science and Engineering, Tianjin University. Ph.D.;
2019-2021 Materials Science Division, Lawrence Berkeley National Laboratory, Joint Ph.D.
Areas of research interest
First-principles calculations in catalysis, including simulations for catalytic mechnisms, the rational design and screening of catalysts, and hybrid solvent model methods.
Main research achievements
Published more than 30 academic papers in international journals, such as J. Chem. Theory Comput., ACS Energy Lett., Adv. Funct. Mater., and cited by 1600 times. Principal Investigator of a project funded by the National Natural Science Foundation of China.
Selected publications
1. Cong Xi, Yixin Nie, Hongjuan Wang, Cunku Dong, Jiuhui Han*, and Xi-Wen Du*. Thermal Methanol Synthesis from CO2 Using Cu/ZnO Catalysts: Insights from First-Principles Calculations, Small Structures, 2024, 2400345.
2. Hualei Wang#, Cong Xi#, Huiming Yin*, Yi Ding. Designing nanoporous Pd catalyst with dual enhancement of thermodynamics and kinetics for formic acid oxidation reaction, Journal of Alloys and Compounds, 2024, 1003, 175550.
3. Lin Qiao#, Cong Xi#, Chao Li, Kaiyue Zhang, Qi Li, Jiuhui Han*, Yi Ding. Self-limited formation of nanoporous nickel heterostructure catalyst for electrochemical hydrogen production, Advanced Functional Materials, 2024, 2402286.
4. Cong Xi, Fan Zheng, Zhigang Song, Guoping Gao, Buyu Zhang, Cunku Dong, Xi-Wen Du*, Lin-Wang Wang*. Ion Solvation Free Energies Calculation Based on Ab initio Molecular Dynamics Using a Hybrid Solvent Model, Journal of Chemical Theory and Computation, 2022, 18, 6878−6891.
5. Cong Xi, Fan Zheng, Guoping Gao, Meng Ye, Cunku Dong, Xi-Wen Du*, Lin-Wang Wang*. Distribution of Alkali Cations Near the Cu (111) Surface in Aqueous Solution, Journal of Materials Chemistry A, 2020, 8, 24428.
