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Volumn 11, Issue 8, 2010, Pages 2792-2804

Complexes in the Photocatalytic Reaction of CO 2 and H 2O: Theoretical Studies

Author keywords

e (H 2O CO 2); h + (H 2O CO 2); Photocatalytic reaction; Theoretical studies

Indexed keywords

CARBON DIOXIDE; WATER;

EID: 77957907026     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms11082792     Document Type: Article
Times cited : (5)

References (40)
  • 1
    • 0033230477 scopus 로고    scopus 로고
    • A Screening for the Photo Reduction of Carbon Dioxide Supported on Metal Oxide Catalysts for C1-C3 Selectivity
    • Subrahmanyam, M.; Kaneco, S.; Alonso-Vante N. A Screening for the Photo Reduction of Carbon Dioxide Supported on Metal Oxide Catalysts for C1-C3 Selectivity. Appl. Catal. B 1999, 23, 169-174.
    • (1999) Appl. Catal. B , vol.23 , pp. 169-174
    • Subrahmanyam, M.1    Kaneco, S.2    Alonso-Vante, N.3
  • 2
    • 0037041299 scopus 로고    scopus 로고
    • 2 Using Sol-Gel Derived Titania and Titania-Supported Copper Catalysts
    • 2 Using Sol-Gel Derived Titania and Titania-Supported Copper Catalysts. Appl. Catal. B 2002, 37, 37-48.
    • (2002) Appl. Catal. B , vol.37 , pp. 37-48
    • Tseng, I.H.1    Chang, W.C.2    Wu, J.C.S.3
  • 4
    • 4544235448 scopus 로고
    • 2 Surfaces: Principles, Mechanisms, and Selected Results
    • 2 Surfaces: Principles, Mechanisms, and Selected Results. Chem. Rev. 1995, 95, 735-758.
    • (1995) Chem. Rev. , vol.95 , pp. 735-758
    • Linsebigler, A.L.1    Lu, G.J.2    Yates, J.T.3
  • 5
    • 29144448088 scopus 로고    scopus 로고
    • Photocatalytic Performance of Ru Doped Anatase Mounted on Silica for Reduction of Carbon Dioxide
    • Sasirekha, N.; Basha, S.; Shanthi, K. Photocatalytic Performance of Ru Doped Anatase Mounted on Silica for Reduction of Carbon Dioxide. Appl. Catal. B Environ. 2006, 62, 169-180.
    • (2006) Appl. Catal. B Environ. , vol.62 , pp. 169-180
    • Sasirekha, N.1    Basha, S.2    Shanthi, K.3
  • 9
    • 10044261110 scopus 로고    scopus 로고
    • 2 under UV Light in TiMCM-41 Silicate Sieve
    • 2 under UV Light in TiMCM-41 Silicate Sieve. J. Phys. Chem. B 2004, 108, 18269-18273.
    • (2004) J. Phys. Chem. B , vol.108 , pp. 18269-18273
    • Lin, W.Y.1    Han, H.X.2    Frei, H.3
  • 11
    • 0000715037 scopus 로고    scopus 로고
    • 2O on Titanium Oxides Anchored within Micropores of Zeolites: Effects of the Structure of the Active Sites and the Addition of Pt
    • 2O on Titanium Oxides Anchored within Micropores of Zeolites: Effects of the Structure of the Active Sites and the Addition of Pt. J. Phys. Chem. B 1997, 101, 2632-2636.
    • (1997) J. Phys. Chem. B , vol.101 , pp. 2632-2636
    • Anpo, M.1    Yamashita, H.2    Ichihashi, Y.3    Fujii, Y.4    Honda, M.5
  • 14
    • 77957909424 scopus 로고    scopus 로고
    • Reviews in Mineralogy and Geochemistry
    • Banfield, J.F.; Navrotsky, A. Reviews in Mineralogy and Geochemistry. Mineral. Soc. Am. 2001, 44, 293-349.
    • (2001) Mineral. Soc. Am. , vol.44 , pp. 293-349
    • Banfield, J.F.1    Navrotsky, A.2
  • 21
    • 10644250257 scopus 로고
    • Inhomogeneous Electron Gas
    • Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas. Phys. Rev. B 1964, 136, B864-B871.
    • (1964) Phys. Rev. B , vol.136
    • Hohenberg, P.1    Kohn, W.2
  • 22
    • 0042113153 scopus 로고
    • Self-Consistent Equations Including Exchange and Correlation Effects
    • Kohn, W.; Sham, L.J. Self-Consistent Equations Including Exchange and Correlation Effects. Phys. Rev. 1965, 140, A1133-A1138.
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 23
    • 36849113883 scopus 로고
    • Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree-Fock Calculations
    • Gerratt, J.; Mills, I.M. Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree-Fock Calculations. J. Chem. Phys. 1968, 49, 1719-1729.
    • (1968) J. Chem. Phys. , vol.49 , pp. 1719-1729
    • Gerratt, J.1    Mills, I.M.2
  • 24
    • 36749109220 scopus 로고
    • Second and Third Derivatives of Variational Energy Expressions-application to Multi-configurational Self-consistent Field Wave-functions
    • Pulay, P. Second and Third Derivatives of Variational Energy Expressions-application to Multi-configurational Self-consistent Field Wave-functions. J. Chem. Phys. 1983, 78, 5043-5051.
    • (1983) J. Chem. Phys. , vol.78 , pp. 5043-5051
    • Pulay, P.1
  • 25
    • 0000216001 scopus 로고
    • Accurate Spin-dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: A Critical Analysis
    • Vosko, S.H.; Wilk, L.; Nusair, M. Accurate Spin-dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: A Critical Analysis. Can. J. Phys. 1980, 58, 1200-1211.
    • (1980) Can. J. Phys. , vol.58 , pp. 1200-1211
    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
  • 26
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-energy Formula into a Functional of the Electron Density
    • Lee, C.T.; Yang, W.T.; Parr, R.G. Development of the Colle-Salvetti Correlation-energy Formula into a Functional of the Electron Density. Phys. Rev. B 1988, 37, 785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.T.1    Yang, W.T.2    Parr, R.G.3
  • 27
    • 0000189651 scopus 로고
    • Density-functional Thermochemistry. III. The Role of Exact Exchange
    • Becke, A.D. Density-functional Thermochemistry. III. The Role of Exact Exchange. J. Chem. Phys. 1993, 98, 5648-5652.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 28
    • 4243553426 scopus 로고
    • Density-functional Exchange-Energy Approximation with Correct Asymptotic Behaviour
    • Becke, A.D. Density-functional Exchange-Energy Approximation with Correct Asymptotic Behaviour. Phys. Rev. A 1988, 38, 3098-3100.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 29
    • 0141509423 scopus 로고
    • Contracted Gaussian-basis Sets for Molecular Calculations. 1. 2nd Row Atoms, Z = 11-18
    • McLean, A.D.; Chandler, G.S. Contracted Gaussian-basis Sets for Molecular Calculations. 1. 2nd Row Atoms, Z = 11-18. J. Chem. Phys. 1980, 72, 5639-5648.
    • (1980) J. Chem. Phys. , vol.72 , pp. 5639-5648
    • McLean, A.D.1    Chandler, G.S.2
  • 30
    • 6944251055 scopus 로고
    • Note on an Approximation Treatment for Many-electron Systems
    • Møller, C.; Plesset, M.S. Note on an Approximation Treatment for Many-electron Systems. Phys. Rev. 1934, 46, 618-622.
    • (1934) Phys. Rev. , vol.46 , pp. 618-622
    • Møller, C.1    Plesset, M.S.2
  • 31
    • 26844534384 scopus 로고
    • Self-Consistent Molecular Orbital Methods. 20. Basis set for Correlated Wave-functions
    • Krishnan, R.; Binkley, J.S.; Seeger, R.; Pople, J.A. Self-Consistent Molecular Orbital Methods. 20. Basis set for Correlated Wave-functions. J. Chem. Phys. 1980, 72, 650-654.
    • (1980) J. Chem. Phys. , vol.72 , pp. 650-654
    • Krishnan, R.1    Binkley, J.S.2    Seeger, R.3    Pople, J.A.4
  • 32
    • 0004133516 scopus 로고
    • Revision E.2; Gaussian: Pittsburgh, PA, USA
    • Frisch, M.J. Gaussian 94, Revision E.2; Gaussian: Pittsburgh, PA, USA, 1995.
    • (1995) Gaussian 94
    • Frisch, M.J.1
  • 35
    • 0011703877 scopus 로고
    • Ab initio Molecular Orbital Study of the Structures and Energies of Neutral and Charged Bimolecular Complexes of Water with the Hydrides AHn (A = nitrogen, oxygen, fluorine, phosphorus, sulfur, and chlorine)
    • DelBene, J.E. Ab initio Molecular Orbital Study of the Structures and Energies of Neutral and Charged Bimolecular Complexes of Water with the Hydrides AHn (A = nitrogen, oxygen, fluorine, phosphorus, sulfur, and chlorine). J. Phys. Chem. 1988, 92, 2874-2880.
    • (1988) J. Phys. Chem. , vol.92 , pp. 2874-2880
    • DelBene, J.E.1
  • 36
    • 84987059635 scopus 로고
    • Møller-Plesset Theory for Atomic Ground State Energies
    • Binkley, J.S.; Pople, J.A. Møller-Plesset Theory for Atomic Ground State Energies. Int. J. Quantum Chem. 1975, 9, 229-236.
    • (1975) Int. J. Quantum Chem. , vol.9 , pp. 229-236
    • Binkley, J.S.1    Pople, J.A.2
  • 37
    • 0347007668 scopus 로고
    • Application of Systematic Sequences of Wave-functions to the Water Dimer
    • Feller, D. Application of Systematic Sequences of Wave-functions to the Water Dimer. J. Chem. Phys. 1992, 96, 6104-6114.
    • (1992) J. Chem. Phys. , vol.96 , pp. 6104-6114
    • Feller, D.1
  • 38
    • 0347638362 scopus 로고
    • Ab-initio Studies of the Water Dimer using large Basis set: The Structure and Thermodynamics Energies
    • Kim, K.S.; Mhin, B.J.; Choi, U.S.; Lee, K. Ab-initio Studies of the Water Dimer using large Basis set: The Structure and Thermodynamics Energies. J. Chem. Phys. 1992, 97, 6649-6662.
    • (1992) J. Chem. Phys. , vol.97 , pp. 6649-6662
    • Kim, K.S.1    Mhin, B.J.2    Choi, U.S.3    Lee, K.4
  • 39


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.