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Volumn 21, Issue 2, 2004, Pages 537-547

A comparative theoretical study of Au, Ag and Cu adsorption on TiO 2 (110) rutile surfaces

Author keywords

Adsorption; Copper; Density Functional Theory; Gold; Silver; Slab Calculation; Titania

Indexed keywords

ADSORPTION; BINDING ENERGY; CATALYSTS; CHEMICAL ENGINEERING; COPPER; GOLD; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SILVER; STOICHIOMETRY; SYNTHESIS (CHEMICAL);

EID: 2942672955     PISSN: 02561115     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02705445     Document Type: Article
Times cited : (22)

References (55)
  • 2
    • 0037436556 scopus 로고    scopus 로고
    • The impact of nanoscience on heterogeneous catalysis
    • Bell, A. T., "The Impact of Nanoscience on Heterogeneous Catalysis," Science, 299, 1688 (2003).
    • (2003) Science , vol.299 , pp. 1688
    • Bell, A.T.1
  • 3
    • 0343911797 scopus 로고    scopus 로고
    • 2 (110): Surface rearrangement and reactivity studied using elevated temperature scanning tunneling microscopy
    • 2 (110): Surface Rearrangement and Reactivity Studied using Elevated Temperature Scanning Tunneling Microscopy," Phys. Rev. Lett., 82, 3831 (1999).
    • (1999) Phys. Rev. Lett. , vol.82 , pp. 3831
    • Bennett, R.A.1    Stone, P.2    Price, N.J.3    Bowker, M.4
  • 5
    • 0036721161 scopus 로고    scopus 로고
    • Effect of oxide vacancies on metal island nucleation
    • Bogicevic, A. and Jennison, D. R., "Effect of Oxide Vacancies on Metal Island Nucleation," Surf. Sci., 515, L481-L486 (2002).
    • (2002) Surf. Sci. , vol.515
    • Bogicevic, A.1    Jennison, D.R.2
  • 7
    • 0037174650 scopus 로고    scopus 로고
    • The effect of size-dependent nanoparticle energetics on catalyst sintering
    • Campbell, C. T., Parker, S. C. and Starr, D. E., "The Effect of Size-Dependent Nanoparticle Energetics on Catalyst Sintering," Science, 298, 811 (2002).
    • (2002) Science , vol.298 , pp. 811
    • Campbell, C.T.1    Parker, S.C.2    Starr, D.E.3
  • 8
    • 0030671739 scopus 로고    scopus 로고
    • Ultrathin metal films and particles on oxide surfaces: Structural, electronic and chemisorptive properties
    • Campbell, C. T., "Ultrathin Metal Films and Particles on Oxide Surfaces: Structural, Electronic and Chemisorptive Properties," Surf. Sci. Rep., 27, 1 (1997).
    • (1997) Surf. Sci. Rep. , vol.27 , pp. 1
    • Campbell, C.T.1
  • 9
    • 33744691386 scopus 로고
    • Ground-state of the electron gas by a stochastic method
    • Ceperley, D. M. and Alder, B. J., "Ground-state of the Electron Gas by a Stochastic Method," Phys. Rev. Lett., 45, 566 (1980).
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566
    • Ceperley, D.M.1    Alder, B.J.2
  • 11
    • 0002302143 scopus 로고    scopus 로고
    • Oxidation catalyst by supported gold nano-clusters
    • Choudhary, T. V. and Goodman, D. W., "Oxidation Catalyst by Supported Gold Nano-clusters," Top. Catal., 21, 1 (2002).
    • (2002) Top. Catal. , vol.21 , pp. 1
    • Choudhary, T.V.1    Goodman, D.W.2
  • 12
    • 0035309829 scopus 로고    scopus 로고
    • 2(111) films on Ni(111) from first principles
    • 2(111) Films on Ni(111) from First Principles," J. Chem. Phys., 114, 5816 (2001).
    • (2001) J. Chem. Phys. , vol.114 , pp. 5816
    • Christensen, A.1    Carter, E.A.2
  • 13
    • 0035353472 scopus 로고    scopus 로고
    • Highly selective propene epoxidation with hydrogen/oxygen mixtures over titania-supported silver catalysts
    • de Oliveira, A. L., Wolf, A. and Schuta, F., "Highly Selective Propene Epoxidation with Hydrogen/oxygen Mixtures over Titania-supported Silver Catalysts," Catal. Lett., 73, 157 (2001).
    • (2001) Catal. Lett. , vol.73 , pp. 157
    • De Oliveira, A.L.1    Wolf, A.2    Schuta, F.3
  • 15
    • 0030086972 scopus 로고    scopus 로고
    • Structural and electronic properties of rhodium surfaces: An ab initio approach
    • Eichler, A., Hafner, J., Furthmüller, J. and Kresse, G., "Structural and Electronic Properties of Rhodium Surfaces: An ab initio Approach," Surf. Sci., 346, 300 (1996).
    • (1996) Surf. Sci. , vol.346 , pp. 300
    • Eichler, A.1    Hafner, J.2    Furthmüller, J.3    Kresse, G.4
  • 16
    • 0001609183 scopus 로고
    • Electronic structure of F and V centers on the MgO surface
    • Ferrari, A. M. and Pacchioni, G., "Electronic Structure of F and V Centers on the MgO Surface," J. Phys. Chem., 99, 17010 (1995).
    • (1995) J. Phys. Chem. , vol.99 , pp. 17010
    • Ferrari, A.M.1    Pacchioni, G.2
  • 18
    • 0000158859 scopus 로고    scopus 로고
    • 2 (110) studied using electron stimulated desorption ion angular distribution
    • 2 (110) Studied using Electron Stimulated Desorption ion Angular Distribution," Phys. Rev. Lett., 77, 3851 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3851
    • Guo, Q.1    Cocks, I.2    Williams, E.M.3
  • 19
    • 0029512476 scopus 로고
    • Electronic factors determining the reactivity of metal surfaces
    • Hammer, B. and Nørskov, J. K., "Electronic Factors Determining the Reactivity of Metal Surfaces," Surf. Sci., 343, 211 (1995).
    • (1995) Surf. Sci. , vol.343 , pp. 211
    • Hammer, B.1    Nørskov, J.K.2
  • 21
    • 2742512129 scopus 로고    scopus 로고
    • The influence of soft vibrational modes on our understanding of oxide surface structure
    • Harrison, N. M., Wang, X. G., Muscat, J. and Scheffler, M., "The Influence of Soft Vibrational Modes on our Understanding of Oxide Surface Structure," Faraday Discussions, 114, 305 (1999).
    • (1999) Faraday Discussions , vol.114 , pp. 305
    • Harrison, N.M.1    Wang, X.G.2    Muscat, J.3    Scheffler, M.4
  • 22
    • 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, 36, 153 (1997).
    • (1997) Catal. Today , vol.36 , pp. 153
    • Haruta, M.1
  • 23
    • 0347723661 scopus 로고    scopus 로고
    • 2 catalysts in the presence of oxygen and hydrogen
    • 2 Catalysts in the Presence of Oxygen and Hydrogen," J. Catal., 178, 566 (1998).
    • (1998) J. Catal. , vol.178 , pp. 566
    • Hayash, T.1    Tanaka, K.2    Haruta, M.3
  • 24
    • 0002459963 scopus 로고    scopus 로고
    • 2 (110) at elevated pressures and temperatures
    • 2 (110) at Elevated Pressures and Temperatures," Catal. Lett., 70, 93 (2000).
    • (2000) Catal. Lett. , vol.70 , pp. 93
    • Kolmakov, A.1    Goodman, D.W.2
  • 25
    • 0035451503 scopus 로고    scopus 로고
    • 2 (110): CO oxidation at elevated pressures
    • 2 (110): CO Oxidation at Elevated Pressures," Surf. Sci., 490, L597-L601 (2001).
    • (2001) Surf. Sci. , vol.490
    • Kolmakov, A.1    Goodman, D.W.2
  • 26
    • 12844286241 scopus 로고
    • Ab-initio molecular-dynamics for liquid-metals
    • Kresse, G. and Hafner, J., "Ab-initio Molecular-dynamics for Liquid-metals," Phys. Rev. B, 47, RC558 (1993); Kresse, G. and Furthmüller, J., "Efficient Iterative Schemes for ab initio Total-energy Calculations using a Plane-wave Basis Set," Phys. Rev. B, 54, 11169 (1996).
    • (1993) Phys. Rev. B , vol.47
    • Kresse, G.1    Hafner, J.2
  • 27
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G. and Hafner, J., "Ab-initio Molecular-dynamics for Liquid-metals," Phys. Rev. B, 47, RC558 (1993); Kresse, G. and Furthmüller, J., "Efficient Iterative Schemes for ab initio Total-energy Calculations using a Plane-wave Basis Set," Phys. Rev. B, 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 28
    • 0028763270 scopus 로고
    • Norm-conserving and ultra-soft pseudopotentials first-row and transition elements
    • Kresse, G. and Hafner, J., "Norm-conserving and Ultra-soft Pseudopotentials First-row and Transition Elements," J. Phys.: Condens. Matter, 6, 8245 (1994).
    • (1994) J. Phys.: Condens. Matter , vol.6 , pp. 8245
    • Kresse, G.1    Hafner, J.2
  • 31
    • 0037145780 scopus 로고    scopus 로고
    • Computing accurate surface energies and the importance of electron self-energy in metal/metal-oxide adhesion
    • Mattsson, A. E. and Jennison, D. R., "Computing Accurate Surface Energies and the Importance of Electron Self-energy in Metal/metal-oxide Adhesion," Surf. Sci., 520, L611-L618 (2002).
    • (2002) Surf. Sci. , vol.520
    • Mattsson, A.E.1    Jennison, D.R.2
  • 32
    • 0032665675 scopus 로고    scopus 로고
    • Adsorption of transition metal atoms on oxygen vacancies and regular sites of theMgO(001) surface
    • Matveev, A. V., Neyman, K. M., Yudanov, I. V. and Rosch, N., "Adsorption of Transition Metal Atoms on Oxygen Vacancies and Regular Sites of theMgO(001) Surface," Surf. Sci., 426, 123 (1999)].
    • (1999) Surf. Sci. , vol.426 , pp. 123
    • Matveev, A.V.1    Neyman, K.M.2    Yudanov, I.V.3    Rosch, N.4
  • 36
    • 0028444697 scopus 로고
    • 2 (110) surface - STM study with atomic scale resolution
    • 2 (110) Surface - STM Study with Atomic Scale Resolution," Surf. Sci., 313, L783-L789 (1994).
    • (1994) Surf. Sci. , vol.313
    • Onishi, H.1    Iwasawa, Y.2
  • 38
    • 26144450583 scopus 로고
    • Self interaction correction to density-functional approximations for many-electron systems
    • Perdew, J. and Zunger, A., "Self Interaction Correction to Density-functional Approximations for Many-electron Systems," Phys. Rev. B, 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.1    Zunger, A.2
  • 39
    • 23244460838 scopus 로고
    • Atoms, molecules, solids, and surfaces - Applications of the generalized gradient approximation for exchange and correlation
    • Perdew, J., Chevary, J., Vosko, S., Jackson, K., Pederson, M., Singh, D. and Fiolhais, C., "Atoms, Molecules, Solids, and Surfaces - Applications of the Generalized Gradient Approximation for Exchange and Correlation," Phys. Rev. B, 46, 6671 (1992).
    • (1992) Phys. Rev. B , vol.46 , pp. 6671
    • Perdew, J.1    Chevary, J.2    Vosko, S.3    Jackson, K.4    Pederson, M.5    Singh, D.6    Fiolhais, C.7
  • 40
    • 25744457889 scopus 로고
    • Electronic and geometrical structure of rutile surfaces
    • Reinhardt, P. and Hess, B. A., "Electronic and Geometrical Structure of Rutile Surfaces," Phys. Rev. B, 50, 12015 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 12015
    • Reinhardt, P.1    Hess, B.A.2
  • 41
    • 0037460358 scopus 로고    scopus 로고
    • Oxide-supported metal clusters: Models for heterogeneous catalysts
    • Santra, A. K. and Goodman, D. W., "Oxide-supported Metal Clusters: Models for Heterogeneous Catalysts," J. Phys.: Condens. Matter, 14, R31-R62 (2002).
    • (2002) J. Phys.: Condens. Matter , vol.14
    • Santra, A.K.1    Goodman, D.W.2
  • 44
    • 0000762973 scopus 로고    scopus 로고
    • Electronic structure of 5d transition metals adsorbed on the stoichiometric (110) rutile surface
    • Thiên-Nga, L. and Paxon, A. T., "Electronic Structure of 5d Transition Metals Adsorbed on the Stoichiometric (110) Rutile Surface," Phys. Rev. B, 58, 13233 (1998).
    • (1998) Phys. Rev. B , vol.58 , pp. 13233
    • Thiên-Nga, L.1    Paxon, A.T.2
  • 45
    • 0032508688 scopus 로고    scopus 로고
    • Onset of catalytic activity of gold clusters on titania with the appearance of nonmetallic properties
    • Valden, M., Lai, X. and Goodman, D. W., "Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties," Science, 281, 1647 (1998).
    • (1998) Science , vol.281 , pp. 1647
    • Valden, M.1    Lai, X.2    Goodman, D.W.3
  • 46
    • 20544463457 scopus 로고
    • Soft slef-consistent pseudopotentials in a generalized eigenvalue formalism
    • Vanderbilt, D., "Soft Slef-consistent Pseudopotentials in a Generalized Eigenvalue Formalism," Phys. Rev. B, 41, 7892 (1990).
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 51
    • 0041387545 scopus 로고    scopus 로고
    • 2 (110) rutile surfaces: A first principles study
    • 2 (110) Rutile Surfaces: A First Principles Study," Surf. Sci., 542, 72 (2003).
    • (2003) Surf. Sci. , vol.542 , pp. 72
    • Wang, Y.1    Hwang, G.S.2
  • 55
    • 0029512476 scopus 로고
    • Electronic factors determining the reactivity of metal surfaces
    • "Electronic Factors Determining the Reactivity of Metal Surfaces," Surf. Sci., 343, 211 (1995).
    • (1995) Surf. Sci. , vol.343 , pp. 211


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