【主要论著】
近年来发表的代表性论文（*为通讯作者）: 1.Qingbo Li,Xian Zhao, Jun Yang, Chunjiang Jia, Zhao Jin, and Weiliu Fan*, Exporing the effect nanocrystal facet orientations in g-C3N4/BiOCl hterostructures photocatalytic performance, Nanoscale, 2015, 7: 18971-18983. 2. Huan Wang, Chuanyi Jia, Jing Yang, Xian Zhao, Yanlu Li, Honggang Sun, and Weiliu Fan*, Theoretical study of surface dependence of NH3 adsorption and decomposition on spinel-type MgAl2O4, RSC Advances, 2015, 5: 77973-77985. 3. Liming Sun, Li Xiang, Xian Zhao, Chunjiang Jia, Jun Yang, Zhao Jin, Xiufeng Cheng, and Weiliu Fan*, Enhanced visible-light photocatalytic activity of BiOI/BiOCl heterojunctons: key role of crystal facet combination, ACS Catalysis, 2015, 5: 3540-3551. 4. Chuangyi Jia*, and Weiliu Fan*, A theoretical study of O2 activation by the Au7-cluster on Mg(OH)2: roles of surface hydroxyls and hydroxyl defects, Physical Chemistry Chemical Physics, 2015,17: 30736-30743. 5. Yueqi Kong, Honggang Sun*, Xian Zhao, Baoyu Gao, and Weiliu Fan*, Fabrication of hexagonal/cubic tungsten oxide homojunction with improved photocatalytic activity, Applied Catalysis A: General, 2015, 505: 447-455. 6. Chuanyi Jia, Weiliu Fan*, Xiufeng Cheng, Xian Zhao, Honggang Sun, Pan Li, and Na Lin, The Roles of Surface Structure, Oxygen Defects, and Hydration in the Adsorption of CO2 on Low-Index ZnGa2O4 Surfaces: A First-Principles Investigation, Physical Chemistry Chemical Physics, 2014,16: 7538-7547. 7. Liming Sun, Yue Qi, Chunjiang Jia, Zhao Jin, and Weiliu Fan*, Enhanced visible-light photocatalytic activity of g-C3N4/Zn2GeO4 heterojunctions with effective interfaces based on band match, Nanoscale, 2014, 6: 2649-2659. 8. Houran Li, Zhao Jin, Honggang Sun, Liming Sun, Qingbo Li, Xian Zhao, Chunjiang Jia, and Weiliu Fan*, Facile fabrication of p-BiOI/N-Zn2SnO4 heterostructures with highly enhanced visible light photocatalytic performances, Materials Research Bulletin, 2014, 55: 196-204. 9.Lei Wei, Guodong Zhang, Weiliu Fan*, Yanlu Li, Lei Yang, and Xian Zhao*, Anisotropic thermal anharmonicity of CdSiP2 and ZnGeP2: Ab initio calculations, Journal of Applied Physics, 2013, 114: 233501-1-233501-6. 10. Li Liu, Xian Zhao, Honggang Sun, Chuanyi Jia, and Weiliu Fan*, Theoretical study of H2O adsorption on Zn2GeO4 surfaces: effects of surface state and structure-activity relationships, ACS Applied Materials & Interfaces, 2013, 5: 6893-6901. 11. Chuanyi Jia, Weiliu Fan*, Fei Yang, Xian Zhao*, Honggang Sun, Pan Li, and Li Liu, A theoretical study of water adsorption and decomposition on low-index spinel ZnGa2O4 surfaces: correlation between surface structure and photocatalytic properties, Langmuir, 2013, 29: 7025-7037. 12. Pan Li, Xian Zhao, ChunJiang Jia, Honggang Sun, Liming Sun, Xiufeng Cheng, Li Liu, and Weiliu Fan*, ZnWO4/BiOI heterostructures with highly efficient visible light photocatalytic activity: the case of interface lattice and energy level match, Journal of Materials Chemistry. A, 2013, 1: 3421-3429. 13. Lei Wei, Weiliu Fan*, Yanlu Li, Xian Zhao*, and Lei Yang, Effect of cation ordering on the electronic and lattice dynamic properties of Ag2CdGeS4 polytypes: first-principle calculation, Journal of Solid State Chemistry, 2013, 201: 48-55. 14. Liming Sun, Xian Zhao, Chunjiang Jia, Yixuan Zhou, Xiufeng Cheng, Pan Li, Li Liu,and Weiliu Fan*, Enhanced visible-light photocatalytic activity of g-C3N4/ZnWO4 by fabricating a heterojunction: investigation based on experimental and theoretical studies, Journal of Materials Chemistry, 2012, 22: 23428-23483. 15. Liming Sun, Xian Zhao, Xiufeng Cheng, Honggang Sun,Yanlu Li, Pan Li, and Weiliu Fan*, Role of passivated N-F pairs in enhancing photoactivity of ZnWO4 (010) surface: emphasis on correlation between codoping forms and compensation mechanisms, Chemical Engineering Journal, 2012, 211-212: 168-178. 16. Pan Li, Xian Zhao, Chun-Jiang Jia, Honggang Sun, Yanlu Li, Liming Sun, Xiufeng Cheng, Li Liu, and Weiliu Fan*, Mechanism of morphology transformation of tetragonal phase LaVO4 nanocrystals controlled by surface chemistry: experimental and theoretical insights, Crystal Growth & Design. 2012, 12: 5042-5050. 17. Yanlu Li, Xian Zhao, Xiufeng Cheng, and Weiliu Fan*, Theoretic insights into the Ag doping in monolayer and bilayer ZnO armchair nanoribbons: edge effect and position-dependent properties, J. Nanoparticle Research, 2012, 14: 1146. 18. Li Liu, Weiliu Fan*, Xian Zhao*, Honggang Sun, Pan Li, and Liming Sun, The surface dependence of CO2 adsorption on Zn2GeO4, Langmuir, 2012, 28: 10415-10424. 19. Lei Yang, Weiliu Fan*, Yanlu Li, Honggang Sun, Lei Wei, Xiufeng Cheng, and Xian Zhao*, Theoretical insight into the structural stability of KZnB3O6 polymorphs with different BOx polyhedra networks, Inorganic Chemistry 2012, 51: 6762-6770. 20. Jingli Sun, Xian Zhao, Honggang Sun, and Weiliu Fan*, Theoretical study of the origin of the enhanced visible light photocatalytic activity of N-doped CsTaWO6: charge compensation effects modulated by N and other defects, Journal of Solid State Chemistry, 2012, 194: 352-360. 21. Liming Sun , Xian Zhao, Xiufeng Cheng, Honggang Sun, Yanlu Li, Pan Li, and Weiliu Fan*, The synergistic effects in La/N codoped TiO2 anatase (101) surface correlated with enhanced visible-light photocatalytic activity, Langmuir, 2012, 28: 5882-5891. 22. Yanlu Li, Xian Zhao, Weiliu Fan*, Honggang Sun, and Xiufeng Cheng, Role of cross section on the stability and electronic structure of Ag-doped ZnO nanowires, J. Nanoparticle Research, 2012, 14: 739. 23. Pan Li, Xian Zhao, Yanlu Li, Honggang Sun, Liming Sun, Xiufeng Cheng, Xiaopeng Hao, and Weiliu Fan*, Effects of surface chemistry on the morphology transformation of ZnWO4 nanocrystals: investigated from experiment and theoretical calculations, CrystEngComm, 2012, 14: 920-928. 24. Liming Sun, Xian Zhao, Xiufeng Cheng, Honggang Sun, Yanlu Li, Pan Li, and Weiliu Fan*, Evaluating the C, N and F pairwise codoping effect on the enhanced photoactivity of ZnWO4: the charge compensation mechanism in donor-acceptor pairs, Journal of Physical Chemistry C, 2011, 115: 15516-15524. 25. Yanlu Li, Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, and Xian Zhao*, Electronic, optical and lattice dynamic properties of novel diamond-like semiconductors Li2CdGeS4 and Li2CdSnS4, Journal of Physics: Condensed Matter, 2011, 23: 225401-1-225401-11. 26. Yanlu Li, Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, and Xian Zhao*, Computational insight into the effect of monovalent cations on the electronic, optical and lattice dynamic properties of XInSe2 (X= Cu, Ag, Li), Journal of Applied Physics. 2011, 109: 113535--1-113535-10. 27. Yanlu Li, Xian Zhao, and Weiliu Fan*, Structural, electronic, and optical properties of Ag-doped ZnO nanowires: first principles study, Journal of Physical Chemistry C, 2011, 115: 3552-3557. 28. Honggang Sun, Xian Zhao, Liang Zhang, and Weiliu Fan*, Origin of the enhanced visible photocatalytic activity in (N, C)-codoped ZnS studied from density functional theory, Journal of Physical Chemistry C, 2011, 115: 2218-2227. 29. Honggang Sun, Weiliu Fan*, Yanlu Li, Xiufeng Cheng, Pan Li, Jingcheng Hao,and Xian Zhao*, Origin of improved visible photocatalytic activity of nitrogen/hydrogen codoped Cubic In2O3: first principles calculation, Physical Chemisry Chemical Physics, 2011, 13: 1379-1385. 30. Lei Wang, Jinhua Zhan, Weiliu Fan, Guanwei Cui, Honggang Sun, Linhai Zhuo, Xian Zhao, and Bo Tang*, Microcrystalline sodium tungsten bronze nanowires boundles as efficient visible light-responsive photocatalysts, Chemical Communications, 2010, 46: 8833-8835. 31. Liming Sun, Yanlu Li, Pan Li, Honggang Sun, Xiufeng Cheng, Xian Zhao, and Weiliu Fan*, First-principles study of electric, optical, and vibrational properties of LaVO4 polymorph, Journal of Applied Physics, 2010, 108: 093519-1-093519-10. 32. Yanlu Li, Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, Xian Zhao*, and Minhua Jiang, Nitrogen vacancy and ferromagnetism in Cr-doped GaN: first-principles calculations, Journal of Solid State Chemistry, 2010, 183: 2662-2668. 33. Honggang Sun, Weiliu Fan*, Yanlu Li, Xiufeng Cheng, Pan Li, and Xian Zhao*, Origin of the improved photo-catalytic activity of F-Doped ZnWO4: a quantum mechanical study, Journal of Solid State Chemistry, 2010, 183: 3052-3057. 34. Pan Li, Weiliu Fan*, Yanlu Li, Honggang Sun, Xiufeng Cheng, Xian Zhao*, and Minhua Jiang,“First-principles study of the electronic, optical properties and lattice dynamics of tantalum oxynitride”, Inorganic Chemistry, 2010, 49: 6917-6924.
35. Yanlu Li,
Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, and Xian Zhao*, First-principles study of the electronic, optical, and lattice dynamics properties of α, β, and γ-TeO2,
Journal of Applied Physics
, 2010, 107: 093506-1-093506-7.
36. Shaohua Chen, Sixiu Sun, Honggang Sun,
Weiliu Fan*, Xian Zhao, and Xun Sun, Experimental and theoretical studies on the enhanced photocatalytic activity of ZnWO4 nanorods by fluorine doping,
Journal of Physical Chemistry C,
2010, 114: 7680-7688.
37. Honggang Sun,
Weiliu Fan*, Yanlu Li, Xiufeng Cheng, Pan Li, and Xian Zhao*, Origin of the visible photocatalytic activity of N-doped In2O3: a quantum mechanical study,
Journal of Physical Chemistry C,
2010, 114: 3028-3036.
38. Yanlu Li,
Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, Xian Zhao*, and Minhua Jiang, First-principles study of the electronic structure, optical properties, and lattice dynamics of BC2N,
J. Phys. Chem. C, 2010, 114: 2783-2791.
39. Yanlu Li,
Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, Xian Zhao*, Jingcheng Hao, and Minhua Jiang, Optical properties of the high-pressure phases of SnO2: first-principles calculation,
Journal of Physical Chemistry A, 2010, 114: 1052-1059.
40. Yanlu Li,
Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, and Xian Zhao*, First-principles study of the electronic, optical, and lattice dynamics properties of LiInSe2 polymorph,
Journal of Applied Physics,
2009, 106: 033704-1-033704-10.
41.
Weiliu Fan, Xinyu Song, Yuxiang Bu, Sixiu Sun, and Xian Zhao*, Selective Synthesis and luminescent properties of monazite- and zircon-type LaVO4:Ln (Ln = Eu, Sm, Dy) nanocrystals,
Crystal Growth & Design, 2007, 7: 2361-2366.
42.
Weiliu Fan, Xinyu Song, Sixiu Sun, and Xian Zhao*, Hydrothermal formation and characterization of magnesium oxychloride nanowires,
Journal of Crystal Growth, 2007, 305: 167-174.
43.
Weiliu Fan, Xinyu Song, Sixiu Sun*, and Xian Zhao*, Microemulsion-mediated hydrothermal synthesis and characterization of zircon-type LaVO4 nanowires,
Journal of Solid State Chemistry, 2007, 180: 284-290.
44.
Weiliu Fan, Xinyu Song, Yuxiang Bu, Sixiu Sun*, and Xian Zhao*. Selected-control hydrothermal synthesis and formation mechanism of monazite- and zircon-type LaVO4 nanocrystals,
J. Phys. Chem. B, 2006, 110: 23247-23254.
45.
Weiliu Fan, Wei Zhao, Liping You, Xinyu Song, Weimin Zhang, Haiyun Yu, and Sixiu Sun*. A simple method to synthesize single-crystalline lanthanide orthovanadate nanorods,
Journal of Solid State Chemistry, 2004, 177: 4399-4403.
46.
Weiliu Fan, Sixiu Sun*, Xinyu Song, Weimin Zhang, Haiyun Yu, Xuejie Tan, and Guangxiang Cao, Controlled Synthesis of Single-Crystalline Mg(OH)2 Nanotubes and Nanorods via a Solvothermal Process.
Journal of Solid State Chemistry, 2004, 177: 2329-2338.
47.
Weiliu Fan, Sixiu Sun*, Liping You, Guangxiang Cao, Xinyu Song, Weimin Zhang, and Haiyun Yu. Solvothermal Synthesis of Mg(OH)2 Nanotubes using Mg10(OH)18Cl2•5H2O Nanowires as Precursors,
Journal of Materials Chemistry, 2003, 13: 3062-3065.
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