1. F. Li,* Z. Chen,* 1+1ʹ > 2: Heteronuclear Bi-atom Catalyst Outperforms Its Homonuclear Counterparts for CO Oxidation, Small Methods 2019, DOI: 10.1002/smtd.201800480. 2. F. Li, Z. Chen, Cu Dimer Anchored C2N Monolayer: Low-cost and Efficient Catalyst for CO Oxidation, Nanoscale 2018, 10, 15696. (SCI 一区) 3. F. Li,* F. Yi, J. Gao, H. Zhang, Z. Chen,* Modulating the Electronic Properties of Perovskite via σ−π Interfacial Interactions: A Computational Study, APL Mater. 2018, 6, 114203. Highlighted as a journal cover. (SCI 二区) 4. X. Lv, F. Li,* J. Gong, Z. Chen, The Dimensional and Hydrogenating Effect on the Electronic Properties of ZnSe Nanomaterials: A Computational Investigation, Phys. Chem. Chem. Phys. 2018, 20, 24453. (SCI 二区) 5. Z. Wang, J. Zhao,* Cai Q., F. Li,* Computational Screening for High-Activity MoS2 Monolayers-Based Catalysts for the Oxygen Reduction Reaction via Substitutional Doping with Transition Metal, J. Mater. Chem. A 2017, 5, 9842. (SCI 一区) 6. F. Li, L. Li, X. Liu, X. C. Zeng, Z. Chen, High-Performance Ru1/CeO2 Single-Atom Catalyst for CO Oxidation: A Computational Exploration, ChemPhysChem 2016, 17, 3170. (SCI 二区) 7. F. Li, K. Tu, H. Zhang, Z. Chen, Flexible Structural and Electronic Properties of Pentagonal B2C Monolayer via External Strain: A Computational Investigation, Phys. Chem. Chem. Phys. 2015, 17, 24151. (SCI 二区) 8. F. Li, Y. Li, X. C. Zeng, Z. Chen, Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study, ACS Catal. 2015, 5, 544. Highlighted as a journal cover. (SCI 一区) 9. F. Li, C. R. Cabrera, Z. Chen, Theoretical Design of MoO3-Based High-Rate Lithium Ion Battery Electrodes: The Effect of Dimensionality Reduction, J. Mater. Chem. A 2014, 2, 19180. Highlighted as a journal cover. (SCI 一区) 10. F. Li, K. Tu, Z. Chen, Versatile Electronic Properties of VSe2 Bulk, Few-layer, Monolayer, Nanoribbons and Nanotubes: A Computational Exploration, J. Phys. Chem. C 2014, 118, 21264. (SCI 二区) 11. F. Li, Z. Chen, Tuning Electronic and Magnetic Properties of MoO3 Sheets by Cutting, Hydrogenation, and External Strain: A Computational Investigation, Nanoscale 2013, 5, 5321. Highlighted as a journal cover. (SCI 一区) 12. F. Li, P. Jin, D. Jiang, S. Zhang, J. Zhao, Z. Chen, B80 and B101-103 Clusters: Remarkable Stability of the Core-shell Structures Established by Validated Density Functionals, J. Chem. Phys. 2012, 136, 074302. #6 of the Most Cited 2012 Articles Published in The Journal of Chemical Physics as of 12 March 2013, out of 2579 papers published in JCP in 2012. (SCI 二区) 13. F. Li, J. Zhao, Z. Chen, Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation, J. Phys. Chem. C 2012, 116, 2507. (SCI 二区) 14. F. Li, D. Jiang, X. C. Zeng, Z. Chen, Mn Monolayer Modified Rh for Syngas-to-Ethanol Conversion: A First-Principles Study, Nanoscale 2012, 4, 1123. Highlighted as a journal cover. (SCI 一区) 15. F. Li, Z. Chen, “Graphene-Based Materials as Nanocatalysts”, Book chapter in Graphene Chemistry: Theoretical Perspectives, Chapter 15, edited by De-en Jiang, Zhongfang Chen, John Wiley & Sons, 2013, ISBN: 978-1-119-94212-2. (书稿) |