章永凡 - 福州大学

研究领域

理论与计算化学以来一直从事固体材料及其表面电子结构和化学反应活性的理论研究，已在凝聚态体系电子结构理论研究领域积累了较丰富经验，并建立了一套较为系统和完善的固体表面电子结构研究方法

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Fang Z. X., Lin J., Liu R., Liu P., Li Y.*, Huang X., Ding K. N., Ning L. X., Zhang Y. F.*, Computational design of inorganic nonlinear optical crystals based on a genetic algorithm, CrystEngComm., 2014, 16, 10569. Sun D. R., Liu W. J., Fu Y. H., Fang Z. X., Sun F. X., Fu X. Z., Zhang Y. F.*, Li Z. H.*, Noble Metals Can Have Different Effects on Photocatalysis Over Metal-Organic Frameworks (MOFs): A Case Study on M/NH2-MIL-125(Ti) (M=Pt and Au), Chem. Eur. J, 2014, 20, 4780. Zhu J., Lin S. J., Wen X. W., Fang Z. X., Li Y., Zhang Y. F.*, Huang X.*, Ning L. X., Ding K. N., Chen W. K., Deposition of (WO3)3 Nanoclusters on the MgO(001) Surface: A Possible Way to Identify the Charge States of the Defect Centers, J. Chem. Phys., 2013, 138, 034711. Ma X., Hu S. M., Tan C. H., Zhang Y. F.*, Zhang X. D., Sheng T. L.*, Wu X. T., From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)–Ru(II)–Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry, Inorg. Chem., 2013, 52, 11343. Zhu J., Giordano L., Lin S. J., Fang Z. X., Li Y, Huang X., Zhang Y. F.*, Pacchioni G.*, Tuning the Charge State of (WO3)3 Nanoclusters Deposited on MgO/Ag(001) Films, J. Phys. Chem. C, 2012, 116, 17668. Jin H., Lin W., Zhang Y., Zhu J., Li Y., Zhang Y. F.*, Ding K. N., Huang X.*, Chen W. K., Effects of Ti doping at the reduced SnO2(110) surface with different oxygen vacancies: a first principles study, Theor. Chem. Acc., 2012, 131, 1231. Jin H., Zhu J., Chen W. J., Fang Z. X., Li Y., Zhang Y. F.*, Huang X.*, Ding K. N., Ning, L. X., Chen W. K., Enhanced Oxidation Reactivity of WO3(001) Surface through the Formation of Oxygen Radical Centers, J. Phys. Chem. C, 2012, 116, 5067. Zhao H. J., Zhang Y. F., Chen L.*, Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9, J. Am. Chem. Soc., 2012, 134, 1993. Zhu J., Jin H., Zang L. L., Li Y., Zhang Y. F.*, Ding K. N., Huang X.*, Ning L. X., Chen W. K.,Deposition of Nonstoichiometric Tritungsten Oxides on the TiO2(110) Surface: A Possible Way to Stabilize the Unstable Clusters in the Gas Phase, J. Phys. Chem. C, 2011, 115, 15335. Jin H., Zhu J., Hu J. M., Li Y., Zhang Y. F.*, Huang X.*, Ding K. N., Chen W. K., Structural and electronic properties of tungsten trioxides: from cluster to solid surface, Theor. Chem. Acc., 2011, 130, 103. Hu S., Zhu J., Wu L., Wang X. X., Liu P., Zhang Y. F.*, Li Z. H.*, Effect of Fluorination on Photocatalytic Degradation of Rhodamine B over In(OH)ySz: Promotion or Suppression?, J. Phys. Chem. C, 2011, 115, 460. Huang Y. Z., Wu L. M., Wu X. T., Li L. H., Chen L.*, Zhang Y. F.*, Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation, J. Am. Chem. Soc., 2010, 132, 12788. Zhu J., Jin H., Chen W. J., Li Y., Zhang Y. F.*, Ning L. X., Huang X.*, Ding K. N., Chen W. K., Structural and Electronic Properties of a W3O9 Cluster Supported on the TiO2(110) Surface, J. Phys. Chem. C, 2009, 113, 17509. Zhang Y. F., Giordano L., Pacchioni G.*, Gold nanostructures on TiOx/Mo(112) thin films, J. Phys. Chem. C, 2008, 112, 191. Zhang Y. F., Giordano L., Pacchioni G*, Structure, composition, and electronic properties of TiOx/Mo(112) thin films, J. Phys. Chem. C, 2007, 111, 7437. Zhang Y. F., Giordano L., Pacchioni G.*, Vittadini A., Sedona F., Finetti P., Granozzi G., The structure of a stoichiometric TiO2 nanophase on Pt(111), Surf. Sci., 2007, 601, 3488. Lin W., Zhang Y. F.*, Li Y., Ding K. N., Li J. Q., Xu Y. J., Structural characterizations and electronic properties of Ti-doped SnO2(110) surface: A first-principles study, J. Chem. Phys., 2006, 124, 054704. Zhang Y. F.*, Lin W., Li Y., Ding K. N, Li J. Q., A theoretical study on the electronic structures of TiO2: Effect of Hartree-Fock exchange, J. Phys. Chem. B, 2005, 109, 19270. Zhang Y. F.*, Vines F., Xu Y. J., et al., Role of kinetics in the selective surface oxidations of transition metal carbides，J. Phys. Chem. B, 2006, 110, 15454. Zhang Y. F.*, Suc C. H., Liu Z. F., et al., Carbon nanotubes functionalized by NO2: Coexistence of charge transfer and radical transfer, J. Phys. Chem. B, 2006, 110, 22462.