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Volumn 118, Issue 36, 2014, Pages 20989-21000

Nature and role of activated molecular oxygen species at the gold/titania interface in the selective oxidation of alcohols

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; CATALYTIC OXIDATION; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; FORMALDEHYDE; GOLD; METAL NANOPARTICLES; METHANOL; OXIDATION; TEMPERATURE; TITANIUM DIOXIDE;

EID: 84949115697     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5060233     Document Type: Article
Times cited : (29)

References (50)
  • 2
    • 0034561215 scopus 로고    scopus 로고
    • Model Oxide-Supported Metal Catalysts: Energetics, Particle Thicknesses, Chemisorption and Catalytic Properties
    • Campbell, C. T.; Grant, A. W.; Starr, D. E.; Parker, S. C.; Bondzie, V. A. Model Oxide-Supported Metal Catalysts: Energetics, Particle Thicknesses, Chemisorption and Catalytic Properties Top. Catal. 2001, 14 (1-4) 43-51
    • (2001) Top. Catal. , vol.14 , Issue.14 , pp. 43-51
    • Campbell, C.T.1    Grant, A.W.2    Starr, D.E.3    Parker, S.C.4    Bondzie, V.A.5
  • 3
    • 0037233037 scopus 로고    scopus 로고
    • The Surface Science of Titanium Dioxide
    • Diebold, U. The Surface Science of Titanium Dioxide Surf. Sci. Rep. 2003, 48, 53-229
    • (2003) Surf. Sci. Rep. , vol.48 , pp. 53-229
    • Diebold, U.1
  • 4
    • 34249815219 scopus 로고    scopus 로고
    • Oxygen Vacancies in Transition Metal and Rare Earth Oxides: Current State of Understanding and Remaining Challenges
    • Ganduglia-Pirovano, M. V.; Hofmann, A.; Sauer, J. Oxygen Vacancies in Transition Metal and Rare Earth Oxides: Current State of Understanding and Remaining Challenges Surf. Sci. Rep. 2007, 62, 219-270
    • (2007) Surf. Sci. Rep. , vol.62 , pp. 219-270
    • Ganduglia-Pirovano, M.V.1    Hofmann, A.2    Sauer, J.3
  • 7
    • 43949110249 scopus 로고    scopus 로고
    • Modeling Doped and Defective Oxides in Catalysis with Density Functional Theory Methods: Room for Improvements
    • Pacchioni, G. Modeling Doped and Defective Oxides in Catalysis with Density Functional Theory Methods: Room for Improvements J. Chem. Phys. 2008, 128, 182505-1/10
    • (2008) J. Chem. Phys. , vol.128 , pp. 182505-1/10
    • Pacchioni, G.1
  • 10
    • 33847088492 scopus 로고
    • A Metal Atom Model for the Oxidation of Carbon Monoxide to Carbon Dioxide. The Gold Atom-Carbon Monoxide-Dioxygen Reaction and the Gold Atom-Carbon Dioxide Reaction
    • Huber, M.; McIntosh, D.; Ozin, G. A. A Metal Atom Model for the Oxidation of Carbon Monoxide to Carbon Dioxide. The Gold Atom-Carbon Monoxide-Dioxygen Reaction and the Gold Atom-Carbon Dioxide Reaction Inorg. Chem. 1977, 16, 975-979
    • (1977) Inorg. Chem. , vol.16 , pp. 975-979
    • Huber, M.1    McIntosh, D.2    Ozin, G.A.3
  • 11
    • 0000458041 scopus 로고    scopus 로고
    • Size and Support Dependency in the Catalysis of Gold
    • Haruta, M. Size and Support Dependency in the Catalysis of Gold Catal. Today 1997, 36, 153-166
    • (1997) Catal. Today , vol.36 , pp. 153-166
    • Haruta, M.1
  • 14
    • 0032508688 scopus 로고    scopus 로고
    • Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties
    • Valden, M.; Lai, X.; Goodman, D. W. Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties Science 1998, 281, 1647-1650
    • (1998) Science , vol.281 , pp. 1647-1650
    • Valden, M.1    Lai, X.2    Goodman, D.W.3
  • 16
    • 5044220961 scopus 로고    scopus 로고
    • The Structure of Catalytically Active Gold on Titania
    • Chen, M. S.; Goodman, D. W. The Structure of Catalytically Active Gold on Titania Science 2004, 306, 252-255
    • (2004) Science , vol.306 , pp. 252-255
    • Chen, M.S.1    Goodman, D.W.2
  • 19
    • 23844504116 scopus 로고    scopus 로고
    • Some Recent Theoretical Advances in the Understanding of the Catalytic Activity of Au
    • Molina, L. M.; Hammer, B. Some Recent Theoretical Advances in the Understanding of the Catalytic Activity of Au Appl. Catal., A 2005, 291, 21-31
    • (2005) Appl. Catal., A , vol.291 , pp. 21-31
    • Molina, L.M.1    Hammer, B.2
  • 21
    • 70450225391 scopus 로고    scopus 로고
    • 2-Supported Au Nano-Catalysts: Insights from First Principles
    • 2-Supported Au Nano-Catalysts: Insights from First Principles Phys. Chem. Chem. Phys. 2009, 11, 11006-11012
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 11006-11012
    • Laursen, S.1    Linic, S.2
  • 30
    • 4344704355 scopus 로고    scopus 로고
    • Oxidation of Alcohols with Molecular Oxygen on Solid Catalysts
    • Mallat, T.; Baiker, A. Oxidation of Alcohols with Molecular Oxygen on Solid Catalysts Chem. Rev. 2004, 104, 3037-3058
    • (2004) Chem. Rev. , vol.104 , pp. 3037-3058
    • Mallat, T.1    Baiker, A.2
  • 31
    • 85022124546 scopus 로고    scopus 로고
    • CPMD
    • Hutter, J.;, CPMD, www.cpmd.org.
    • Hutter, J.1
  • 33
    • 85022107831 scopus 로고    scopus 로고
    • Quantum Espresso
    • Quantum Espresso, www.pwscf.org.
  • 34
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-1/4
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-1/4
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 35
    • 20544463457 scopus 로고
    • Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism
    • Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892(R)-1/4
    • (1990) Phys. Rev. B , vol.41 , pp. 7892R-1/4
    • Vanderbilt, D.1
  • 37
    • 15444366598 scopus 로고    scopus 로고
    • Linear Response Approach to the Calculation of the Effective Interaction Parameters in the LDA+U Method
    • Cococcioni, M.; de Gironcoli, S. Linear Response Approach to the Calculation of the Effective Interaction Parameters in the LDA+U Method Phys. Rev. B 2005, 71, 035105-1/16
    • (2005) Phys. Rev. B , vol.71 , pp. 035105-1/16
    • Cococcioni, M.1    De Gironcoli, S.2
  • 38
    • 33748334301 scopus 로고    scopus 로고
    • Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard U Approach
    • Kulik, H. J.; Cococcioni, M.; Scherlis, D. A.; Marzari, N. Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard U Approach Phys. Rev. Lett. 2006, 97, 103001-1/4
    • (2006) Phys. Rev. Lett. , vol.97 , pp. 103001-1/4
    • Kulik, H.J.1    Cococcioni, M.2    Scherlis, D.A.3    Marzari, N.4
  • 39
    • 63249120708 scopus 로고    scopus 로고
    • 2(110) Surface: Oxygen Depletion, Hydroxylation, Hydrogen Migration, and Water Adsorption
    • 2(110) Surface: Oxygen Depletion, Hydroxylation, Hydrogen Migration, and Water Adsorption Phys. Rev. B 2009, 79, 115410-1/16
    • (2009) Phys. Rev. B , vol.79 , pp. 115410-1/16
    • Kowalski, P.M.1    Meyer, B.2    Marx, D.3
  • 40
    • 3442902425 scopus 로고
    • 2 Dissociative Adsorption: Evaluation of Free Energy Barriers in Multidimensional Quantum Systems
    • 2 Dissociative Adsorption: Evaluation of Free Energy Barriers in Multidimensional Quantum Systems Phys. Rev. Lett. 1994, 72, 1124-1/5
    • (1994) Phys. Rev. Lett. , vol.72 , pp. 1124-1/5
    • Mills, G.1    Jònsson, H.2
  • 41
    • 0034513054 scopus 로고    scopus 로고
    • A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths
    • Henkelman, G.; Uberuaga, B. P.; Jònsson, H. A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths J. Chem. Phys. 2000, 113, 9901-9904
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jònsson, H.3
  • 45
    • 83455236962 scopus 로고    scopus 로고
    • 0 in Aqueous Solution: Electronic Structure Governs Solvation Shell Patterns
    • 0 in Aqueous Solution: Electronic Structure Governs Solvation Shell Patterns Phys. Chem. Chem. Phys. 2012, 14, 937-944
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 937-944
    • Farnesi Camellone, M.1    Marx, D.2
  • 46
    • 0034323556 scopus 로고    scopus 로고
    • Direct Observation of the Quantum Tunneling of Single Hydrogen Atoms with a Scanning Tunneling Microscope
    • Lauhon, L. J.; Ho, W. Direct Observation of the Quantum Tunneling of Single Hydrogen Atoms with a Scanning Tunneling Microscope Phys. Rev. Lett. 2000, 85, 4566-1/4
    • (2000) Phys. Rev. Lett. , vol.85 , pp. 4566-1/4
    • Lauhon, L.J.1    Ho, W.2
  • 47
    • 0034229391 scopus 로고    scopus 로고
    • Surface Self-Diffusion of Hydrogen on Cu(100): A Quantum Kinetic Equation Approach
    • Pouthier, V.; Light, J. C. Surface Self-Diffusion of Hydrogen on Cu(100): A Quantum Kinetic Equation Approach J. Chem. Phys. 2000, 113, 1204-1216
    • (2000) J. Chem. Phys. , vol.113 , pp. 1204-1216
    • Pouthier, V.1    Light, J.C.2
  • 48
    • 33750249029 scopus 로고    scopus 로고
    • Quantum Diffusion of H on Pt(111): Step Effects
    • Zheng, C. Z.; Yeung, C. K.; Loy, M. M. T.; Xiao, X. Quantum Diffusion of H on Pt(111): Step Effects Phys. Rev. Lett. 2006, 97, 166101-1/4
    • (2006) Phys. Rev. Lett. , vol.97 , pp. 166101-1/4
    • Zheng, C.Z.1    Yeung, C.K.2    Loy, M.M.T.3    Xiao, X.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.