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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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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