Education:

PhD (2004), Xiamen University 

Principal Research Interests:
Reaction mechanism for catalysis. Applied quantum chemistry.

Selected Recent Publications:

1. [1]    Zhao, Y.; Fu, G.; Zheng, N., Shaping the selectivity in heterogeneous hydrogenation by using molecular modification strategies: Experiment and theory. Catalysis Today 2017, 279, 36-44.

2. [2]    Hu, C., Ma, Q., Hung, S. F., Chen, Z. N., Ou, D., Ren, B., Chen, H.M., Fu, G., Zheng, N.. In Situ Electrochemical Production of Ultrathin Nickel Nanosheets for Hydrogen Evolution Electrocatalysis. Chem, 2017, 3, 122-133.

3. [3]    Ma, Q., Hu, C., Liu, K., Hung, S. F., Ou, D., Chen, H. M., ... & Zheng, N. (2017). Identifying the electrocatalytic sites of nickel disulfide in alkaline hydrogen evolution reaction. Nano Energy, 2017, 41, 148-153.\

4. [4]    Qin, R., Liu, P., Fu, G., & Zheng, N. Strategies for Stabilizing Atomically Dispersed Metal Catalysts. Small Methods. In Press.

5. [5]    Zhang, H.; Wang, C.; Sun, H.-L.; Fu, G.; Chen, S.; Zhang, Y.-J.; Chen, B.-H.; Anema, J. R.; Yang, Z.-L.; Li, J.-F.; Tian, Z.-Q., In situ dynamic tracking of heterogeneous nanocatalytic processes by shell-isolated nanoparticle-enhanced Raman spectroscopy. Nature Communications 2017, 8.

6. [6]    Yuan, R.; Wei, B.; Fu, G., How the Coordinated Structures of Ag(I) Catalysts Affect the Outcomes of Carbon Dioxide Incorporation into Propargylic Amine: A DFT Study. Journal Of Organic Chemistry 2017, 82 (7), 3639-3647.

7. [7]    Wang, P.; Steinmann, S. N.; Fu, G.; Michel, C.; Sautet, P., Key Role of Anionic Doping for H-2 Production from Formic Acid on Pd(111). Acs Catalysis 2017, 7 (3), 1955-1959.

8. [8]    Wang, P.; Fu, G.; Wan, H., How High Valence Transition Metal Spreads Its Activity over Nonmetal Oxoes: A Proof-of-Concept Study. Acs Catalysis 2017, 7 (8), 5544-5548.

9. [9]    Ma, Q.; Hu, C.; Liu, K.; Hung, S.-F.; Ou, D.; Chen, H. M.; Fu, G.; Zheng, N., Identifying the electrocatalytic sites of nickel disulfide in alkaline hydrogen evolution reaction. Nano Energy 2017, 41, 148-153.

10. [10] Liu, P.; Qin, R.; Fu, G.; Zheng, N., Surface Coordination Chemistry of Metal Nanomaterials. Journal Of the American Chemical Society 2017, 139 (6), 2122-2131.

11. [11] Dai, L.; Qin, Q.; Wang, P.; Zhao, X.; Hu, C.; Liu, P.; Qin, R.; Chen, M.; Ou, D.; Xu, C.; Mo, S.; Wu, B.; Fu, G.; Zhang, P.; Zheng, N., Ultrastable atomic copper nanosheets for selective electrochemical reduction of carbon dioxide. Science advances 2017, 3 (9), e1701069-e1701069.

12. [12] Cao, Z.; Chen, Q.; Zhang, J.; Li, H.; Jiang, Y.; Shen, S.; Fu, G.; Lu, B.-a.; Xie, Z.; Zheng, L., Platinum-nickel alloy excavated nano-multipods with hexagonal close-packed structure and superior activity towards hydrogen evolution reaction. Nature Communications 2017, 8.

13. [13] Zhou, Z.; Hu, R.; Wang, L.; Sun, C.; Fu, G.; Gao, J., Water bridge coordination on the metal-rich facets of Gd2O3 nanoplates confers high T-1 relaxivity. Nanoscale 2016, 8 (41), 17887-17894.

14. [14] Yuan, R.; Hu, R.; Fu, G., Mechanistic Insight into the Copper-Catalyzed Regiodivergent Silacarboxylation of Allenes with CO2. Chemistry-an Asian Journal 2016, 11 (15), 2201-2209.

15. [15] Liu, P.; Zhao, Y.; Qin, R.; Mo, S.; Chen, G.; Gu, L.; Chevrier, D. M.; Zhang, P.; Guo, Q.; Zang, D.; Wu, B.; Fu, G.; Zheng, N., Photochemical route for synthesizing atomically dispersed palladium catalysts. Science 2016, 352(6287), 797-801.

16. [16] Fu, G.; Yuan, R.; Wan, H.; Xu, X., The mechanism of hydrogen abstraction by high valence transition metal oxo compounds. Journal Of Energy Chemistry 2016, 25 (6), 1045-1050.

17. [17] Chen, G.; Xu, C.; Huang, X.; Ye, J.; Gu, L.; Li, G.; Tang, Z.; Wu, B.; Yang, H.; Zhao, Z.; Zhou, Z.; Fu, G.; Zheng, N., Interfacial electronic effects control the reaction selectivity of platinum catalysts. Nature Materials 2016, 15(5), 564-+.

18. [18] Zhou, L.; Zhao, Y.; Chen, Z.; Fu, G.; Wan, H., The origin of the site preference of H adsorption on Pd(100). Science China-Chemistry 2015, 58 (1), 156-161.

19. [19] Zhao, X.; Zhao, Y.; Fu, G.; Zheng, N., Origin of the facet dependence in the hydrogenation catalysis of olefins: experiment and theory. Chemical Communications 2015, 51 (60), 12016-12019.

20. [20] Fu, G.; Yuan, R.; Wang, P.; Wan, H., DFT studies on the activation of C-H bonds on V/P mixed oxides. Chinese Journal Of Catalysis 2015, 36 (9), 1528-1534.

21. [21] Chen, Z.-N.; Shen, L.; Yang, M.; Fu, G.; Hu, H., Enhanced Ab Initio Molecular Dynamics Simulation of the Temperature-Dependent Thermodynamics for the Diffusion of Carbon Monoxide on Ru(0001) Surface. Journal Of Physical Chemistry C 2015, 119 (47), 26422-26428.

22. [22] Chen, J.-J.; Yuan, R.-M.; Feng, J.-M.; Zhang, Q.; Huang, J.-X.; Fu, G.; Zheng, M.-S.; Ren, B.; Dong, Q.-F., Conductive Lewis Base Matrix to Recover the Missing Link of Li2S8 during the Sulfur Redox Cycle in Li-S Battery. Chemistry Of Materials 2015, 27 (6), 2048-2055.

23. [23] Zhao, Y.; Chen, G.; Zheng, N.; Fu, G., Mechanisms for CO oxidation on Fe(III)-OH-Pt interface: a DFT study. Faraday Discussions 2014, 176, 381-392.

24. [24] Zhang, X.-b.; Fu, G.; Wan, H.-l., Density Functional Theory Study on Spin States of LaCoO3 at Room Temperature. Chinese Journal Of Chemical Physics 2014, 27 (3), 274-278.

25. [25] Li, B.; Li, Y.; Zhao, N.; Chen, Y.; Chen, Y.; Fu, G.; Zhu, H.; Ding, Y., Synthesis, structure and a nucleophilic coordination reaction of Germanetelturones. Dalton Transactions 2014, 43 (31), 12100-12108.

26. [26] Chen, G.; Zhao, Y.; Fu, G.; Duchesne, P. N.; Gu, L.; Zheng, Y.; Weng, X.; Chen, M.; Zhang, P.; Pao, C.-W.; Lee, J.-F.; Zheng, N., Interfacial Effects in Iron-Nickel Hydroxide-Platinum Nanoparticles Enhance Catalytic Oxidation. Science 2014, 344 (6183), 495-499.

27. [27] Zhao, N.; Zhang, J.; Yang, Y.; Zhu, H.; Li, Y.; Fu, G., beta-Diketiminate Germylene-Supported Pentafluorophenylcopper(I) and -silver(I) Complexes LGe(Me)(CuC6F5)(n) (2) (n=1, 2), LGe C(SiMe3)N-2 AgC6F5, and {LGe C(SiMe3)N-2 (AgC6F5)(2)}(2) (L = HC C(Me)N-2,6-iPr(2)C(6)H(3) (2)): Synthesis and Structural Characterization. Inorganic Chemistry 2012, 51 (16), 8710-8718.

28. [28] Wu, B.; Huang, H.; Yang, J.; Zheng, N.; Fu, G., Selective Hydrogenation of alpha,beta-Unsaturated Aldehydes Catalyzed by Amine-Capped Platinum-Cobalt Nanocrystals. Angewandte Chemie-International Edition 2012, 51 (14), 3440-3443.

29. [29] Li, H.; Fu, G.; Xu, X., A new insight into the initial step in the Fischer-Tropsch synthesis: CO dissociation on Ru surfaces. Physical Chemistry Chemical Physics 2012, 14 (48), 16686-16694.

30. [30] Fu, G.; Xu, X.; Sautet, P., Vanadium Distribution in Four-Component Mo-V-Te-Nb Mixed-Oxide Catalysts from First Principles: How to Explore the Numerous Configurations? Angewandte Chemie-International Edition 2012, 51 (51), 12854-12858.

31. [31] Dai, Y.; Mu, X.; Tan, Y.; Lin, K.; Yang, Z.; Zheng, N.; Fu, G., Carbon Monoxide-Assisted Synthesis of Single-Crystalline Pd Tetrapod Nanocrystals through Hydride Formation. Journal Of the American Chemical Society 2012, 134 (16), 7073-7080.

32. [32] Chen, Z.-N.; Fu, G.; Xu, X., Theoretical studies on Grignard reagent formation: radical mechanism versus non-radical mechanism. Organic & Biomolecular Chemistry 2012, 10 (47), 9491-9500.

33. [33] Chen, G.; Tan, Y.; Wu, B.; Fu, G.; Zheng, N., Carbon monoxide-controlled synthesis of surface-clean Pt nanocubes with high electrocatalytic activity. Chemical Communications 2012, 48 (22), 2758-2760.

34. [34] Yuan, R.-M.; Fu, G.; Xu, X.; Wan, H.-L., Bronsted-NH4+ mechanism versus nitrite mechanism: new insight into the selective catalytic reduction of NO by NH3. Physical Chemistry Chemical Physics 2011, 13 (2), 453-460.

35. [35] Yuan, R.-M.; Fu, G.; Xu, X.; Wan, H.-L., Mechanisms for Selective Catalytic Oxidation of Ammonia over Vanadium Oxides. Journal Of Physical Chemistry C 2011, 115 (43), 21218-21229.

36. [36] Wu, B.; Zheng, N.; Fu, G., Small molecules control the formation of Pt nanocrystals: a key role of carbon monoxide in the synthesis of Pt nanocubes. Chemical Communications 2011, 47 (3), 1039-1041.

37. [37] Shen, C.; Zhang, I. Y.; Fu, G.; Xu, X., Pyrolysis of D-Glucose to Acrolein. Chinese Journal Of Chemical Physics 2011, 24 (3), 249-252.

38. [38] Chu, Z.-K.; Fu, G.; Xu, X., Theoretical studies of Na+ location in ZSM-5: Model selection for accurate coordination structure and energetics. Catalysis Today 2011, 165 (1), 112-119.

39. [39] Chu, Z.-K.; Fu, G.; Guo, W.; Xu, X., Exploring the Sodium Cation Location and Aluminum Distribution in ZSM-5: A Systematic Study by the Extended ONIOM (XO) Method. Journal Of Physical Chemistry C 2011, 115(30), 14754-14761.

40. [40] Chen, Z.-N.; Fu, G.; Xu, X., How To Prepare a Chiral Grignard Reagent: A Theoretical Proposal. Organic Letters 2011, 13 (8), 2046-2049.

41. [41] Chu, Z.-K.; Fu, G.; Guo, W.-P.; Xu, X., EFFECT OF HIGH-LEVEL LAYER SELECTION IN ONIOM ON Na+ ADSORPTION IN ZSM-5 ZEOLITE. Journal Of Theoretical & Computational Chemistry 2010, 9, 39-47.