参考文献/References:
[1] Henrich V E,Cox P A.The surface science of metal oxides [M].Cambridge:Cambridge University Press,1994.
[2] Samorjai G A.Introduction to surface chemistry and catalysis [M].New York:Wiley Interscience,1994.
[3] Cox P A.Transition metal oxides [M].Oxford:Clarendon,1992.
[4] Rao C N,Raveau B.Transition metal oxides [M].New York:Wiley,1998.
[5] Eerenstein W,Mathur N D,Scott J F.Multiferroic and magnetoelectric materials [J].Nature,2006,442(17):759-765.
[6] Chu Wenling,Echizen T,Kamiya Y,et al.Gas-phase hydration of ethene over tungstena-zirconia [J].Applied Catalysis A:General,2004,259(2):199-205.
[7] Wilson R D,Barton D G,Baertsch C D,et al.Reaction and deactivation pathways in xylene isomerization on zirconia modified by tungsten oxide [J].Journal of Catalysis,2000,194(2):175-187.
[8] Martín C,Solana G,Malet P,et al.Nb2O5-supported WO3:a comparative study with WO3/Al2O3 [J].Catalysis Today,2003,78:365-376.
[9] Lietti L,Alemany J L,Forzatti P,et al.Reactivity of V2O5-WO3/TiO2 catalysts in the selective catalytic reduction of nitric oxide by ammonia [J].Catalysis Today,1996,29:143-148.
[10] Grunert W,Feldhaus R,Anders K,et al.Reduction behavior and metathesis activity of WO3Al2O3 catalysts:III.The activation of WO3Al2O3 catalysts [J].Journal of Catalysis,1989,120(2):444-456.
[11] Jibril B Y.Catalytic performances and correlations with metal oxide band gaps of metal-tungsten mixed oxide catalysts in propane oxydehydrogezation [J].Reaction Kinetics and Catalysis Letters,2005,86(1):171-177.
[12] Guerrero-Pérez M O,Herrera M C,Malpartida I,et al.Operando Raman study of propane oxidation over alumina-supported V-Mo-W-O catalysts [J].Catalysis Today,2007,126(1/2):177-183.
[13] Mestl G.MoVW mixed metal oxides catalysts for acrylic acid production:from industrial catalysts to model studies [J].Topics in Catalysis,2006,38(1):69-82.
[14] Baertsch C D,Komala K T,Chua Y H,et al.Genesis of br?nsted acid sites during dehydration of 2-butanol on tungsten oxide catalysts [J].Journal of Catalysis,2002,205(1):44-57.
[15] Tagusagawa C,Takagaki A,Iguchi A,et al.Highly active mesoporous Nb-W oxide solid-acid catalyst [J].Angewandte Chemie International Edition,2010,122(6):1146-1150.
[16] Rothgeb D W,Hossain E,Kuo A T,et al.Structures of MoxW(3-x)O6(x = 0-3)anion and neutral clusters determined by anion photoelectron spectroscopy and density functional theory calculations [J].Journal of Chemical Physics,2009,131(4):044310.
[17] Rothgeb D W,Hossain E,Mann J E,et al.Disparate product distributions observed in Mo(3-x)WxOy-(x=0-3; y = 3-9)reactions with D2O and CO2 [J].Journal of Chemical Physics,2010,132(6):064302.
[18] Chen Wenjie,Zhang Changfu,Zhang Xianhui,et al.Computational study on the molecular structures and photoelectron spectra of bimetallic oxide clusters MW2O9-/0(M=V,Nb,Ta)[J].Spectrochimica Acta Part A:Molecular and Biomolecular Spectroscopy,2013,109:125-132.
[19] Kresse G,Hafner J.Ab initio molecular dynamics for liquid metals [J].Physical Review B,1993,47(1):558-561.
[20] Kresse G,Hafner J.Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium [J].Physical Review B,1994,49(20):14251-14269.
[21] Bl?chl P E.Projector augmented-wave method [J].Physical Review B,1994,50(24):17953.
[22] Simic-Milosevic V,Heyde M,Nilius N,et al.Au dimers on thin MgO(001)films:flat and charged or upright and neutral? [J].Journal of the American Chemical Society,2008,130(25):7814-7815.
[23] Zhu Jia,Giordano L,Lin Shujuan,et al.Tuning the charge state of(WO3)3 nanoclusters deposited on MgO/Ag(001)films [J].Journal of Physical Chemistry C,2012,116(33):17668-17675.
[24] Zhu Jia,Lin Shujuan,Wen Xingwei,et al.Deposition of(WO3)3 nanoclusters on the MgO(001)surface:a possible way to identify the charge states of the defect centers [J].Journal of Chemical Physics,2013,138(3):034711.
[25] Nosé S.A unified formulation of the constant temperature molecular dynamics methods [J].Journal of Chemical Physics,1984,81(1):511-519.
[26] Zhu Jia,Jin Hua,Chen Wenjie,et al.Structural and electronic properties of a W3O9 cluster supported on the TiO2(110)surface [J].Journal of Physical Chemistry C,2009,113(40):17509-17517.
[27] Zhu Jia,Zhang Hui,Tong Yawen,et al.Tuning the charge states of CrW2O9 clusters deposited on perfect and defective MgO(001)surfaces with different color centers:a comprehensive DFT study [J].Journal of Chemical Physics,2016,144(17):174706.
[28] Zhu Jia,Zhang Hui,Zhao Ling,et al.Properties of two-dimensional insulators:a DFT study of bimetallic oxide CrW2O9 clusters adsorption on MgO ultrathin films [J].Applied Surface Science,2016,379:213-222.