Selected Publications

1. T. Mou, H. S. Pillai, S. Wang, M. Wan, X. Han, N. M. Schweitzer, F. Che, H. Xin,* “Bridging the complexity gap in computational heterogeneous catalysis with machine learning”, Nature Catalysis, 2023,6 (2), 122 – 136

2. S. Tiwari, S. A. Ibrahim, B. Robinson, S. Brown, Q. Wang, F. Che*, J. Hu*, Post-plasma catalysis: Charge effect on product selectivity in conversion of methane and nitrogen plasma to ethylene and ammonia, accepted by Catalysis Science & Technology, 2023, DOI: 10.1039/D2CY02077G.

3. Mingyu Wan, Han Yue, Jaime Notarangelo, Hongfu Liu, and Fanglin Che, Deep Learning-Assisted Investigation of Electric Field–Dipole Effects on Catalytic Ammonia Synthesis, JACS Au 2022 2 (6), 1338-1349. DOI: 10.1021/jacsau.2c00003

4. Mingyu WanDr. Zhiyong GuDr. Fanglin Che, Hybrid Organic-Inorganic Heterogeneous Interfaces for Electrocatalysis: A Theoretical Study of CO2 Reduction to C2, ChemCatChem 202214, e202101224

6. Y. Zhou*, F. Che*, etc., S. Edward, Dopant-induced electron localization drives CO2 reduction to C2 hydrocarbons. Nature Chem., 10, 974–980, 2018.

7. H. Tan*, F. Che*, etc., S. Edward, Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites, Nature Comm., 9, 3100, 2018. 

8. F. Che, J. T. Gray, S. Ha, N. Kruse, S. L. Scott, J.-S. McEwen, Elucidating the Roles of the Electric Fields in Catalysis: A Perspective. ACS Catal., 8, 5153–5174, 2018.

9. F. Che, J. T. Gray, S. Ha, J.-S. McEwen, Reducing Reaction Temperature, Steam Requirements, and Coke Formation During Methane Steam Reforming Using Electric Fields: A Microkinetic Modeling and Experimental Study. ACS Catal., 7, 6957-6968, 2017.

10. F. Che, S. Ha, J.-S. McEwen, Oxidation State Controlled Catalytic Reaction Rates: A Case Study of the C-H Bond Cleavage in Methane over Ni-Based Catalysts, Angew. Chem. Int. Ed., 129, 3611, 2017. Selected as the cover art and a hot paper.

11. F. Che, S. Ha, J.-S. McEwen, Mitigating the Role of the Electric Field at the Ni/YSZ Anode: A DFT study, J. Phys. Chem. C, 120, 14608-14620, 2016. Selected as the cover art.