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Volumn 117, Issue 33, 2013, Pages 16907-16920

Effect of metal-support interface during CH4 and H2 dissociation on Ni/γ-Al2O3: A density functional theory study

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY STUDIES; HYDROGEN DISSOCIATION; INTERFACE ADSORPTION; METAL OXIDE INTERFACE; METAL-SUPPORT INTERACTIONS; METAL-SUPPORT INTERFACES; MOLECULAR ADSORPTION; THEORETICAL STUDY;

EID: 84883136205     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp402421q     Document Type: Article
Times cited : (75)

References (100)
  • 1
    • 0031055530 scopus 로고    scopus 로고
    • Dissociation of Methane into Hydrocarbons at Extreme (Planetary) Pressure and Temperature
    • Ancilotto, F.; Chiarotti, G. L.; Scandolo, S.; Tosatti, E. Dissociation of Methane into Hydrocarbons at Extreme (Planetary) Pressure and Temperature Science 1997, 275, 1288-1290
    • (1997) Science , vol.275 , pp. 1288-1290
    • Ancilotto, F.1    Chiarotti, G.L.2    Scandolo, S.3    Tosatti, E.4
  • 3
    • 59649117806 scopus 로고    scopus 로고
    • Hydrogen Dissociation and Diffusion on Transition Metal (= Ti, Zr, V, Fe, Ru, Co, Rh, Ni, Pd, Cu, Ag)-doped Mg (0001) Surfaces
    • Pozzo, M.; AlfeÌ, D. Hydrogen Dissociation and Diffusion on Transition Metal (= Ti, Zr, V, Fe, Ru, Co, Rh, Ni, Pd, Cu, Ag)-doped Mg (0001) Surfaces Int. J. Hydrogen Energy 2009, 34, 1922-1930
    • (2009) Int. J. Hydrogen Energy , vol.34 , pp. 1922-1930
    • Pozzo, M.1    Alfeì, D.2
  • 5
    • 34250000047 scopus 로고    scopus 로고
    • Experimental Study and Modeling of a High-temperature Solar Chemical Reactor for Hydrogen Production from Methane Cracking
    • Abanades, S.; Flamant, G. Experimental Study and Modeling of a High-temperature Solar Chemical Reactor for Hydrogen Production from Methane Cracking Int. J. Hydrogen Energy 2007, 32, 1508-1515
    • (2007) Int. J. Hydrogen Energy , vol.32 , pp. 1508-1515
    • Abanades, S.1    Flamant, G.2
  • 8
    • 80855165170 scopus 로고    scopus 로고
    • Reaction and Deactivation Rates of Methane Catalytic Cracking over Nickel
    • Amin, A.; Epling, W.; Croiset, E. Reaction and Deactivation Rates of Methane Catalytic Cracking over Nickel Ind. Eng. Chem. Res. 2011, 50, 12460-12470
    • (2011) Ind. Eng. Chem. Res. , vol.50 , pp. 12460-12470
    • Amin, A.1    Epling, W.2    Croiset, E.3
  • 9
    • 32344440230 scopus 로고    scopus 로고
    • Novel Ni Catalysts for Methane Decomposition to Hydrogen and Carbon Nanofibers
    • Li, Y.; Zhang, B.; Xie, X.; Liu, J.; Xu, Y.; Shen, W. Novel Ni Catalysts for Methane Decomposition to Hydrogen and Carbon Nanofibers J. Catal. 2006, 238, 412-424
    • (2006) J. Catal. , vol.238 , pp. 412-424
    • Li, Y.1    Zhang, B.2    Xie, X.3    Liu, J.4    Xu, Y.5    Shen, W.6
  • 13
    • 33847709480 scopus 로고    scopus 로고
    • 4: A Density Functional Theory Study
    • 4: A Density Functional Theory Study J. Phys. Chem. B 2007, 111, 1657-1663
    • (2007) J. Phys. Chem. B , vol.111 , pp. 1657-1663
    • Xiao, L.1    Wang, L.2
  • 14
    • 0034050740 scopus 로고    scopus 로고
    • Heterogeneous Catalysis Through Subsurface Sites
    • Ledentu, V.; Dong, W.; Sautet, P. Heterogeneous Catalysis Through Subsurface Sites J. Am. Chem. Soc. 2000, 122, 1796-1801
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 1796-1801
    • Ledentu, V.1    Dong, W.2    Sautet, P.3
  • 16
    • 84867479502 scopus 로고    scopus 로고
    • Methane Dissociation on Ni (100), Ni (111), and Ni (553): A Comparative Density Functional Theory Study
    • Li, J.; Croiset, E.; Ricardez-Sandoval, L. Methane Dissociation on Ni (100), Ni (111), and Ni (553): A Comparative Density Functional Theory Study J. Mol. Catal. A 2012, 365, 103-114
    • (2012) J. Mol. Catal. A , vol.365 , pp. 103-114
    • Li, J.1    Croiset, E.2    Ricardez-Sandoval, L.3
  • 17
    • 67349283008 scopus 로고    scopus 로고
    • Dissociative Adsorption of Methane on Ni(1 1 1) Surface with and without Adatom: A theoretical study
    • Haroun, M. F.; Moussounda, P. S.; Légaré, P. Dissociative Adsorption of Methane on Ni(1 1 1) Surface with and without Adatom: A theoretical study J. Mol. Struct. (Theochem) 2009, 903, 83-88
    • (2009) J. Mol. Struct. (Theochem) , vol.903 , pp. 83-88
    • Haroun, M.F.1    Moussounda, P.S.2    Légaré, P.3
  • 20
    • 21344498617 scopus 로고
    • Electronic Structure Calculations and Dynamics of the Chemisorption of Methane on a Ni (111) Surface
    • Burghgraef, H.; Jansen, A. P. J.; van Santen, R. A. Electronic Structure Calculations and Dynamics of the Chemisorption of Methane on a Ni (111) Surface Chem. Phys. 1993, 177, 407-420
    • (1993) Chem. Phys. , vol.177 , pp. 407-420
    • Burghgraef, H.1    Jansen, A.P.J.2    Van Santen, R.A.3
  • 21
    • 49249142576 scopus 로고
    • Activation of Molecular Hydrogen by a Small Nickel Particle
    • Charlot, M. F.; Kahn, O. Activation of Molecular Hydrogen by a Small Nickel Particle Surf. Sci. 1979, 81, 90-108
    • (1979) Surf. Sci. , vol.81 , pp. 90-108
    • Charlot, M.F.1    Kahn, O.2
  • 24
    • 76349114963 scopus 로고    scopus 로고
    • Methane Dissociation and Adsorption on Ni (111), Pt (111), Ni (100), Pt (100), and Pt (110)-(1 × 2): Energetic Study
    • 054705
    • Nave, S.; Tiwari, A. K.; Jackson, B. Methane Dissociation and Adsorption on Ni (111), Pt (111), Ni (100), Pt (100), and Pt (110)-(1 × 2): Energetic Study J. Chem. Phys. 2010, 132 (054705) 1-12
    • (2010) J. Chem. Phys. , vol.132 , pp. 1-12
    • Nave, S.1    Tiwari, A.K.2    Jackson, B.3
  • 26
    • 65249170842 scopus 로고    scopus 로고
    • Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni (111) under Realistic Conditions
    • Blaylock, D. W.; Ogura, T.; Green, W. H.; Beran, G. J. O. Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni (111) Under Realistic Conditions J. Phys. Chem. C 2009, 113, 898-908
    • (2009) J. Phys. Chem. C , vol.113 , pp. 898-908
    • Blaylock, D.W.1    Ogura, T.2    Green, W.H.3    Beran, G.J.O.4
  • 27
    • 71649087054 scopus 로고    scopus 로고
    • DFT Studies of Dry Reforming of Methane on Ni Catalyst
    • Zhu, Y.; Chen, D.; Zhou, X.; Yuan, W. DFT Studies of Dry Reforming of Methane on Ni Catalyst Catal. Today. 2009, 148, 260-267
    • (2009) Catal. Today. , vol.148 , pp. 260-267
    • Zhu, Y.1    Chen, D.2    Zhou, X.3    Yuan, W.4
  • 32
    • 70349861885 scopus 로고    scopus 로고
    • Platinum Group Metal Adsorption on Clean and Hydroxylated Corundum Surfaces
    • Briquet, L. G. V.; Catlow, C. R. A.; French, S. A. Platinum Group Metal Adsorption on Clean and Hydroxylated Corundum Surfaces J. Phys. Chem. C 2009, 113, 16747-16756
    • (2009) J. Phys. Chem. C , vol.113 , pp. 16747-16756
    • Briquet, L.G.V.1    Catlow, C.R.A.2    French, S.A.3
  • 34
    • 77949468741 scopus 로고    scopus 로고
    • 3 Surfaces: A Density Functional Theory Study
    • 3 Surfaces: A Density Functional Theory Study J. Phys. Chem. C 2010, 114, 4445-4450
    • (2010) J. Phys. Chem. C , vol.114 , pp. 4445-4450
    • Liu, Z.1    Ma, L.2    Junaid, A.S.M.3
  • 35
    • 79951621235 scopus 로고    scopus 로고
    • Structure and Reactivity of Aluminum Oxide Supported Nickel Clusters
    • Briquet, L. G. V.; Catlow, C. R. A.; French, S. A. Structure and Reactivity of Aluminum Oxide Supported Nickel Clusters J. Phys. Chem. C 2010, 114, 22155-22158
    • (2010) J. Phys. Chem. C , vol.114 , pp. 22155-22158
    • Briquet, L.G.V.1    Catlow, C.R.A.2    French, S.A.3
  • 37
    • 34249880376 scopus 로고    scopus 로고
    • 2 Interaction with Supported BaO Clusters
    • 2 Interaction with Supported BaO Clusters Surf. Sci. 2007, 601, 65-68
    • (2007) Surf. Sci. , vol.601 , pp. 65-68
    • Cheng, L.1    Ge, Q.2
  • 42
    • 33745167973 scopus 로고    scopus 로고
    • Catalytic Decomposition of Methane for Hydrogen Production
    • Rahman, M. S.; Croiset, E.; Hudgins, R. R. Catalytic Decomposition of Methane for Hydrogen Production Top Catal. 2006, 37, 137-145
    • (2006) Top Catal. , vol.37 , pp. 137-145
    • Rahman, M.S.1    Croiset, E.2    Hudgins, R.R.3
  • 43
    • 79951578998 scopus 로고    scopus 로고
    • Review of Methane Catalytic Cracking for Hydrogen Production
    • Amin, A. M.; Croiset, E.; Epling, W. Review of Methane Catalytic Cracking for Hydrogen Production Int. J. Hydrogen Energy 2011, 36, 2904-2935
    • (2011) Int. J. Hydrogen Energy , vol.36 , pp. 2904-2935
    • Amin, A.M.1    Croiset, E.2    Epling, W.3
  • 45
    • 0037068691 scopus 로고    scopus 로고
    • Study of γ-alumina Surface Reactivity: Adsorption of Water and Hydrogen Sulfide on Octahedral Aluminum Sites
    • Ionescu, A.; Allouche, A.; Aycard, J. P.; Rajzmann, M.; Hutschka, F. Study of γ-alumina Surface Reactivity: Adsorption of Water and Hydrogen Sulfide on Octahedral Aluminum Sites J. Phys. Chem. B 2002, 106, 9359-9366
    • (2002) J. Phys. Chem. B , vol.106 , pp. 9359-9366
    • Ionescu, A.1    Allouche, A.2    Aycard, J.P.3    Rajzmann, M.4    Hutschka, F.5
  • 47
    • 3042845370 scopus 로고    scopus 로고
    • Use of DFT to Achieve a Rational Understanding of Acid-basic Properties of γ-alumina Surfaces
    • Digne, M.; Sautet, P.; Raybaud, P.; Euzen, P.; Toulhoat, H. Use of DFT to Achieve a Rational Understanding of Acid-basic Properties of γ-alumina Surfaces J. Catal. 2004, 226, 54-68
    • (2004) J. Catal. , vol.226 , pp. 54-68
    • Digne, M.1    Sautet, P.2    Raybaud, P.3    Euzen, P.4    Toulhoat, H.5
  • 51
    • 33751258939 scopus 로고    scopus 로고
    • Comment on "examination of Spinel and Nonspinel Structural Models for γ-Al2O3 by DFT and Rietveld Refinement Simulations
    • Digne, M.; Raybaud, P.; Sautet, P.; Rebours, B.; Toulhoat, H. Comment on "Examination of Spinel and Nonspinel Structural Models for γ-Al2O3 by DFT and Rietveld Refinement Simulations J. Phys. Chem. B 2006, 110, 20719-20720
    • (2006) J. Phys. Chem. B , vol.110 , pp. 20719-20720
    • Digne, M.1    Raybaud, P.2    Sautet, P.3    Rebours, B.4    Toulhoat, H.5
  • 53
    • 33751294150 scopus 로고    scopus 로고
    • 3 by DFT and Rietveld Refinement Simulations
    • 3 by DFT and Rietveld Refinement Simulations J. Phys. Chem. B 2006, 110, 20724-20726
    • (2006) J. Phys. Chem. B , vol.110 , pp. 20724-20726
    • Nelson, A.1    Sun, M.2    Adjaye, J.3
  • 54
    • 0034754275 scopus 로고    scopus 로고
    • Substrate-support Interactions in Metal-catalyzed Carbon Nanofiber Growth
    • Vander Wal, R. L.; Ticich, T. M.; Curtis, V. E. Substrate-support Interactions in Metal-catalyzed Carbon Nanofiber Growth Carbon 2001, 39, 2277-2289
    • (2001) Carbon , vol.39 , pp. 2277-2289
    • Vander Wal, R.L.1    Ticich, T.M.2    Curtis, V.E.3
  • 55
    • 10844280993 scopus 로고    scopus 로고
    • Roles of Metal-support Interaction in Growth of Single-and Double-walled Carbon Nanotubes Studied with Diameter-controlled Iron Particles Supported on MgO
    • Ago, H.; Nakamura, K.; Uehara, N.; Tsuji, M. Roles of Metal-support Interaction in Growth of Single-and Double-walled Carbon Nanotubes Studied with Diameter-controlled Iron Particles Supported on MgO J. Phys. Chem. B 2004, 108, 18908-18915
    • (2004) J. Phys. Chem. B , vol.108 , pp. 18908-18915
    • Ago, H.1    Nakamura, K.2    Uehara, N.3    Tsuji, M.4
  • 56
    • 50649098250 scopus 로고    scopus 로고
    • In-situ X-ray Photoelectron Spectroscopy Study of Catalyst-Support Interactions and Growth of Carbon Nanotube Forests
    • Mattevi, C.; Wirth, C. T.; Hofmann, S.; Blume, R.; Cantoro, M.; Ducati, C. In-situ X-ray Photoelectron Spectroscopy Study of Catalyst-Support Interactions and Growth of Carbon Nanotube Forests J. Phys. Chem. C 2008, 112, 12207-12213
    • (2008) J. Phys. Chem. C , vol.112 , pp. 12207-12213
    • Mattevi, C.1    Wirth, C.T.2    Hofmann, S.3    Blume, R.4    Cantoro, M.5    Ducati, C.6
  • 57
    • 0001553329 scopus 로고
    • Bonded-atom Fragments for Describing Molecular Charge Densities
    • Hirshfeld, F. L. Bonded-atom Fragments for Describing Molecular Charge Densities Theoret. Chim. Acta 1977, 44, 129-138
    • (1977) Theoret. Chim. Acta , vol.44 , pp. 129-138
    • Hirshfeld, F.L.1
  • 58
    • 0001674952 scopus 로고
    • Precise Density-functional Method for Periodic Structures
    • te Velde, G.; Baerends, E. J. Precise Density-functional Method for Periodic Structures Phys. Rev. B 1991, 44, 7888-7903
    • (1991) Phys. Rev. B , vol.44 , pp. 7888-7903
    • Te Velde, G.1    Baerends, E.J.2
  • 59
    • 0000011226 scopus 로고
    • Quadratic Integration over the Three-dimensional Brillouin Zone
    • Wiesenekker, G.; Baerends, E. J. Quadratic Integration over the Three-dimensional Brillouin Zone J. Phys.: Condens. Matter 1991, 3, 6721-6742
    • (1991) J. Phys.: Condens. Matter , vol.3 , pp. 6721-6742
    • Wiesenekker, G.1    Baerends, E.J.2
  • 60
    • 84883175680 scopus 로고    scopus 로고
    • Compute/Calcul Canada. Compute/Calcul Canada.
    • Compute/Calcul Canada. Compute/Calcul Canada. https://computecanada.org/.
  • 61
    • 28144440701 scopus 로고
    • Numerical Integration for Polyatomic Systems
    • te Velde, G.; Baerends, E. J. Numerical Integration for Polyatomic Systems J. Comput. Phys. 1992, 99, 84-98
    • (1992) J. Comput. Phys. , vol.99 , pp. 84-98
    • Te Velde, G.1    Baerends, E.J.2
  • 62
    • 0031998810 scopus 로고    scopus 로고
    • x Fragments (x= 0-3) on a Pd (111) Surface: A Periodic Density Functional Study
    • x Fragments (x= 0-3) on a Pd (111) Surface: A Periodic Density Functional Study J. Phys. Chem. B 1998, 102, 1578-1585
    • (1998) J. Phys. Chem. B , vol.102 , pp. 1578-1585
    • Paul, J.-F.1    Sautet, P.2
  • 63
    • 0033225762 scopus 로고    scopus 로고
    • Theoretical Study of the CO Adsorption on the (100) Surface of the Face-centered Cubic d-block Transition Metals
    • Aray, Y.; Rodriguez, J.; Rivero, J.; Vega, D. Theoretical Study of the CO Adsorption on the (100) Surface of the Face-centered Cubic d-block Transition Metals Surf. Sci. 1999, 441, 344-350
    • (1999) Surf. Sci. , vol.441 , pp. 344-350
    • Aray, Y.1    Rodriguez, J.2    Rivero, J.3    Vega, D.4
  • 64
    • 84883145186 scopus 로고    scopus 로고
    • ACCURACY.
    • http://www.scm.com/Doc/Doc2012/BAND/BandUsersGuide/page39.html#keyterm ACCURACY.
  • 65
    • 0000637417 scopus 로고
    • Analytic Quadratic Integration over the Two-dimensional Brillouin Zone
    • Wiesenekker, G.; te Velde, G.; Baerends, E. J. Analytic Quadratic Integration over the Two-dimensional Brillouin Zone J. Phys. C: Solid State Phys. 1988, 21, 4263-4283
    • (1988) J. Phys. C: Solid State Phys. , vol.21 , pp. 4263-4283
    • Wiesenekker, G.1    Te Velde, G.2    Baerends, E.J.3
  • 66
    • 84883155542 scopus 로고    scopus 로고
    • http://www.scm.com/Doc/Doc2012/BAND/BandUsersGuide/page121.html
  • 67
    • 0001673618 scopus 로고    scopus 로고
    • Theory, Spectroscopy and Kinetics of Zeolite Catalysed Reactions
    • van Santen, R. A. Theory, Spectroscopy and Kinetics of Zeolite Catalysed Reactions Catal. Today 1999, 50, 511-515
    • (1999) Catal. Today , vol.50 , pp. 511-515
    • Van Santen, R.A.1
  • 68
    • 0035909717 scopus 로고    scopus 로고
    • The Formation of Epoxides from Reactions of Oxametallacycles on Ag (110): A Density Functional Theory Study
    • Medlin, J. W.; Barteau, M. A. The Formation of Epoxides from Reactions of Oxametallacycles on Ag (110): A Density Functional Theory Study J. Phys. Chem. B 2001, 105, 10054-10061
    • (2001) J. Phys. Chem. B , vol.105 , pp. 10054-10061
    • Medlin, J.W.1    Barteau, M.A.2
  • 69
    • 0038739471 scopus 로고    scopus 로고
    • Construction of a Reaction Coordinate and a Microkinetic Model for Ethylene Epoxidation on Silver from DFT Calculations and Surface Science Experiments
    • Linic, S.; Barteau, M. A. Construction of a Reaction Coordinate and a Microkinetic Model for Ethylene Epoxidation on Silver from DFT Calculations and Surface Science Experiments J. Catal. 2003, 241, 200-212
    • (2003) J. Catal. , vol.241 , pp. 200-212
    • Linic, S.1    Barteau, M.A.2
  • 71
    • 28344450125 scopus 로고    scopus 로고
    • Determination of the Structure of γ-alumina from Interatomic Potential and First-principles Calculations: The Requirement of Significant Numbers of Nonspinel Positions to Achieve an Accurate Structural Model
    • 224115
    • Paglia, G.; Rohl, A. L.; Buckley, C. E.; Gale, J. D. Determination of the Structure of γ-alumina from Interatomic Potential and First-principles Calculations: The Requirement of Significant Numbers of Nonspinel Positions to Achieve an Accurate Structural Model Phys. Rev. B 2005, 71 (224115) 1-16
    • (2005) Phys. Rev. B , vol.71 , pp. 1-16
    • Paglia, G.1    Rohl, A.L.2    Buckley, C.E.3    Gale, J.D.4
  • 72
    • 66249135323 scopus 로고    scopus 로고
    • 3 Surface: Combination of Experimental and Theoretical Results
    • 3 Surface: Combination of Experimental and Theoretical Results Surf. Sci. 2009, 603, 2210-2217
    • (2009) Surf. Sci. , vol.603 , pp. 2210-2217
    • Loviat, F.1    Czekaj, I.2    Wambach, J.3    Wokaun, A.4
  • 73
    • 4644346482 scopus 로고    scopus 로고
    • 3: A Density Functional Study of Metal-support Interactions
    • 3: A Density Functional Study of Metal-support Interactions Appl. Surf. Sci. 2004, 238, 82-85
    • (2004) Appl. Surf. Sci. , vol.238 , pp. 82-85
    • Márquez, A.M.1    Sanz, J.F.2
  • 74
    • 0000860047 scopus 로고    scopus 로고
    • Energetics of Aluminum Vacancies in Gamma Alumina
    • Streitz, F. H.; Mintmire, J. W. Energetics of Aluminum Vacancies in Gamma Alumina Phys. Rev. B 1999, 60, 773-777
    • (1999) Phys. Rev. B , vol.60 , pp. 773-777
    • Streitz, F.H.1    Mintmire, J.W.2
  • 78
    • 0017927104 scopus 로고
    • Catalytic Aluminas: Surface Models and Characterization of Surface Sites
    • Knozinger, H.; Ratnasamy, P. Catalytic Aluminas: Surface Models and Characterization of Surface Sites Catal. Rev. Sci. Eng. 1978, 17, 31-39
    • (1978) Catal. Rev. Sci. Eng. , vol.17 , pp. 31-39
    • Knozinger, H.1    Ratnasamy, P.2
  • 80
    • 77954212643 scopus 로고    scopus 로고
    • 3: A density functional theory study
    • 3: A density functional theory study J. Catal. 2010, 272, 227-234
    • (2010) J. Catal. , vol.272 , pp. 227-234
    • Pan, Y.1    Liu, C.2    Ge, Q.3
  • 81
    • 56449114784 scopus 로고    scopus 로고
    • 3 Surfaces: A Density Functional Theory Study
    • 3 Surfaces: A Density Functional Theory Study Langmuir 2008, 24, 12410-12419
    • (2008) Langmuir , vol.24 , pp. 12410-12419
    • Pan, Y.1    Liu, C.2    Ge, Q.3
  • 84
    • 84862112560 scopus 로고    scopus 로고
    • 3 Surfaces: A Density Functional Theory Study
    • 3 Surfaces: A Density Functional Theory Study J. Phys. Chem. C 2012, 116, 10623-10631
    • (2012) J. Phys. Chem. C , vol.116 , pp. 10623-10631
    • Shi, X.R.1    Sholl, D.S.2
  • 85
    • 57949094340 scopus 로고    scopus 로고
    • Comparison of the Adsorption of Ni, Pd, and Pt on the (0001) Surface of α-Alumina
    • Briquet, L.G. V.; Catlow, C. R.A.; French, S. A. Comparison of the Adsorption of Ni, Pd, and Pt on the (0001) Surface of α-Alumina J. Phys. Chem. C 2008, 112, 18948-18954
    • (2008) J. Phys. Chem. C , vol.112 , pp. 18948-18954
    • Briquet, L.G.V.1    Catlow, C.R.A.2    French, S.A.3
  • 86
    • 0006981489 scopus 로고
    • Theoretical Description of Molecule-metal Interaction and Surface Reactions
    • Lundqvist, B. I.; Gunnarsson, O.; Hjelmberg, H.; Nørskov, J. K. Theoretical Description of Molecule-metal Interaction and Surface Reactions Surf. Sci. 1979, 89, 196-225
    • (1979) Surf. Sci. , vol.89 , pp. 196-225
    • Lundqvist, B.I.1    Gunnarsson, O.2    Hjelmberg, H.3    Nørskov, J.K.4
  • 88
    • 0342953178 scopus 로고
    • Chemisorption on Metal Surfaces
    • Nørskov, J. K. Chemisorption on Metal Surfaces Rep. Prog. Phys. 1990, 53, 1253-1295
    • (1990) Rep. Prog. Phys. , vol.53 , pp. 1253-1295
    • Nørskov, J.K.1
  • 89
    • 0029512476 scopus 로고
    • Electronic Factors Determining the Reactivity of Metal Surfaces
    • Hammer, B.; Nørskov, J. K. Electronic Factors Determining the Reactivity of Metal Surfaces Surf. Sci. 1995, 343, 211-220
    • (1995) Surf. Sci. , vol.343 , pp. 211-220
    • Hammer, B.1    Nørskov, J.K.2
  • 90
    • 60849113132 scopus 로고    scopus 로고
    • Relating the Coverage Dependence of Oxygen Adsorption on Au and Pt fcc (111) Surfaces Through Adsorbate-induced Surface Electronic Structure Effects
    • Miller, S. D.; Kitchin, J. R. Relating the Coverage Dependence of Oxygen Adsorption on Au and Pt fcc (111) Surfaces Through Adsorbate-induced Surface Electronic Structure Effects Surf. Sci. 2009, 603, 794-801
    • (2009) Surf. Sci. , vol.603 , pp. 794-801
    • Miller, S.D.1    Kitchin, J.R.2
  • 92
    • 11544320930 scopus 로고    scopus 로고
    • Effect of Strain on the Reactivity of Metal Surfaces
    • Mavrikakis, M.; Hammer, B.; Nørskov, J. K. Effect of Strain on the Reactivity of Metal Surfaces Phys. Rev. Lett. 1998, 81, 2819-2822
    • (1998) Phys. Rev. Lett. , vol.81 , pp. 2819-2822
    • Mavrikakis, M.1    Hammer, B.2    Nørskov, J.K.3
  • 93
    • 2942640180 scopus 로고    scopus 로고
    • Modification of the Surface Electronic and Chemical Properties of Pt (111) by Subsurface 3d Transition Metals
    • Kitchin, J. R.; Nørskov, J. K.; Barteau, M. A.; Chen, J. G. Modification of the Surface Electronic and Chemical Properties of Pt (111) by Subsurface 3d Transition Metals J. Chem. Phys. 2004, 120, 10240-10246
    • (2004) J. Chem. Phys. , vol.120 , pp. 10240-10246
    • Kitchin, J.R.1    Nørskov, J.K.2    Barteau, M.A.3    Chen, J.G.4
  • 94
    • 0029512476 scopus 로고
    • Electronic Factors Determining the Reactivity of Metal Surfaces
    • Hammer, B.; Nørskov, J. K. Electronic Factors Determining the Reactivity of Metal Surfaces Surf. Sci. 1995, 343, 211-220
    • (1995) Surf. Sci. , vol.343 , pp. 211-220
    • Hammer, B.1    Nørskov, J.K.2
  • 95
    • 13444307808 scopus 로고    scopus 로고
    • Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces
    • 156801
    • Kitchin, J. R.; Nørskov, J. K.; Barteau, M. A.; Chen, J. G. Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces Phys. Rev. Lett. 2004, 93 (156801) 1-4
    • (2004) Phys. Rev. Lett. , vol.93 , pp. 1-4
    • Kitchin, J.R.1    Nørskov, J.K.2    Barteau, M.A.3    Chen, J.G.4
  • 96
    • 0002306679 scopus 로고    scopus 로고
    • Structure Sensitivity in Adsorption: CO Interaction with Stepped and Reconstructed Pt Surfaces
    • Hammer, B.; Nielsen, O. H.; Nørskov, J. K. Structure Sensitivity in Adsorption: CO Interaction with Stepped and Reconstructed Pt Surfaces Catal. Lett. 1997, 46, 31-35
    • (1997) Catal. Lett. , vol.46 , pp. 31-35
    • Hammer, B.1    Nielsen, O.H.2    Nørskov, J.K.3
  • 98
    • 32544450178 scopus 로고    scopus 로고
    • Catalysis by Oxide-supported Clusters of Iridium and Rhodium: Hydrogenation of Ethene, Propene, and Toluene
    • Argo, A. M.; Odzak, J. F.; Goellner, J. F.; Lai, F. S.; Xiao, F.-S.; Gates, B. C. Catalysis by Oxide-supported Clusters of Iridium and Rhodium: Hydrogenation of Ethene, Propene, and Toluene J. Phys. Chem. B 2006, 110, 1775-1786
    • (2006) J. Phys. Chem. B , vol.110 , pp. 1775-1786
    • Argo, A.M.1    Odzak, J.F.2    Goellner, J.F.3    Lai, F.S.4    Xiao, F.-S.5    Gates, B.C.6
  • 99
    • 42749105688 scopus 로고    scopus 로고
    • Trapping, Molecular adsorption, and Precursors for Nonactivated Chemisorption
    • 236103
    • Busnengo, H. F.; Dong, W.; Salin, A. Trapping, Molecular adsorption, and Precursors for Nonactivated Chemisorption Phys. Rev. Lett. 2004, 93 (236103) 1-4
    • (2004) Phys. Rev. Lett. , vol.93 , pp. 1-4
    • Busnengo, H.F.1    Dong, W.2    Salin, A.3


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