메뉴 건너뛰기




Volumn 119, Issue 50, 2015, Pages 12434-12441

Substrate Vibrations as Promoters of Chemical Reactivity on Metal Surfaces

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC TEMPERATURE; ATOMS; SURFACE SCATTERING;

EID: 84950987528     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b07873     Document Type: Article
Times cited : (27)

References (48)
  • 1
    • 32044443352 scopus 로고    scopus 로고
    • In; H. Knöpffer, Gates, B. C. Academic Press: San Diego, CA, Vol
    • J. R. Rostrup-Nielsen, Sehested, J.; Norskov, J. K. In Advances in Catalysis; H. Knöpffer, Gates, B. C., Eds.; Academic Press: San Diego, CA, 2002; Vol. 47, pp 65-139.
    • (2002) Advances in Catalysis , vol.47 , pp. 65-139
    • Rostrup-Nielsen, J.R.1    Sehested, J.2    Norskov, J.K.3
  • 2
    • 0001478448 scopus 로고
    • Some Concepts in Reaction Dynamics
    • Polanyi, J. C. Some Concepts in Reaction Dynamics Acc. Chem. Res. 1972, 5, 161-168 10.1021/ar50053a001
    • (1972) Acc. Chem. Res. , vol.5 , pp. 161-168
    • Polanyi, J.C.1
  • 4
    • 62249126377 scopus 로고    scopus 로고
    • Mode-Selective Chemistry at Surfaces
    • Utz, A. L. Mode-Selective Chemistry at Surfaces Curr. Opin. Solid State Mater. Sci. 2009, 13, 4-12 10.1016/j.cossms.2009.01.004
    • (2009) Curr. Opin. Solid State Mater. Sci. , vol.13 , pp. 4-12
    • Utz, A.L.1
  • 5
    • 62249165788 scopus 로고    scopus 로고
    • State-Resolved Probes of Methane Dissociation Dynamics
    • Juurlink, L. B. F.; Killelea, D. R.; Utz, A. L. State-Resolved Probes of Methane Dissociation Dynamics Prog. Surf. Sci. 2009, 84, 69-134 10.1016/j.progsurf.2009.01.001
    • (2009) Prog. Surf. Sci. , vol.84 , pp. 69-134
    • Juurlink, L.B.F.1    Killelea, D.R.2    Utz, A.L.3
  • 6
    • 0000683148 scopus 로고
    • Activation of Methane Dissociation on a Pt(111) Surface
    • Luntz, A. C.; Bethune, D. S. Activation of Methane Dissociation on a Pt(111) Surface J. Chem. Phys. 1989, 90, 1274-1280 10.1063/1.456132
    • (1989) J. Chem. Phys. , vol.90 , pp. 1274-1280
    • Luntz, A.C.1    Bethune, D.S.2
  • 7
    • 0000749820 scopus 로고    scopus 로고
    • Dissociative Chemisorption of Methane on Ir(111): Evidence for Direct and Trapping-Mediated Mechanisms
    • Seets, D. C.; Reeves, C. T.; Ferguson, B. A.; Wheeler, M. C.; Mullins, C. B. Dissociative Chemisorption of Methane on Ir(111): Evidence for Direct and Trapping-Mediated Mechanisms J. Chem. Phys. 1997, 107, 10229-10241 10.1063/1.475306
    • (1997) J. Chem. Phys. , vol.107 , pp. 10229-10241
    • Seets, D.C.1    Reeves, C.T.2    Ferguson, B.A.3    Wheeler, M.C.4    Mullins, C.B.5
  • 9
    • 0001560802 scopus 로고
    • Molecular-Beam Study of Dissociative Sticking of Methane on Ni(100)
    • Holmblad, P. M.; Wambach, J.; Chorkendorff, I. Molecular-Beam Study of Dissociative Sticking of Methane On Ni(100) J. Chem. Phys. 1995, 102, 8255-8263 10.1063/1.468955
    • (1995) J. Chem. Phys. , vol.102 , pp. 8255-8263
    • Holmblad, P.M.1    Wambach, J.2    Chorkendorff, I.3
  • 10
    • 0000905232 scopus 로고
    • 4 Dissociation on Ni(100): Comparison of a Direct Dynamical Model to Molecular Beam Experiments
    • 4 Dissociation on Ni(100): Comparison of a Direct Dynamical Model to Molecular Beam Experiments J. Chem. Phys. 1995, 102, 8264-8269 10.1063/1.468956
    • (1995) J. Chem. Phys. , vol.102 , pp. 8264-8269
    • Luntz, A.C.1
  • 11
    • 36549102650 scopus 로고
    • 4 and Implication for the Pressure Gap in Catalysis: A Molecular Beam-High Resolution Electron Energy Loss Study
    • 4 and Implication for the Pressure Gap in Catalysis: A Molecular Beam-High Resolution Electron Energy Loss Study J. Chem. Phys. 1987, 87, 2724-2741 10.1063/1.453060
    • (1987) J. Chem. Phys. , vol.87 , pp. 2724-2741
    • Lee, M.B.1    Yang, Q.Y.2    Ceyer, S.T.3
  • 13
    • 71049146234 scopus 로고    scopus 로고
    • Surface Temperature Dependence of Methane Activation on Ni(111)
    • Killelea, D. R.; Campbell, V. L.; Shuman, N. S.; Smith, R. R.; Utz, A. L. Surface Temperature Dependence of Methane Activation on Ni(111) J. Phys. Chem. C 2009, 113, 20618-20622 10.1021/jp9065339
    • (2009) J. Phys. Chem. C , vol.113 , pp. 20618-20622
    • Killelea, D.R.1    Campbell, V.L.2    Shuman, N.S.3    Smith, R.R.4    Utz, A.L.5
  • 14
    • 4444268048 scopus 로고    scopus 로고
    • Microcanonical unimolecular rate theory at surfaces. II. Vibrational state resolved dissociative chemisorption of methane on Ni(100)
    • Abbott, H. L.; Bukoski, A.; Harrison, I. Microcanonical unimolecular rate theory at surfaces. II. Vibrational state resolved dissociative chemisorption of methane on Ni(100) J. Chem. Phys. 2004, 121, 3792-3810 10.1063/1.1777221
    • (2004) J. Chem. Phys. , vol.121 , pp. 3792-3810
    • Abbott, H.L.1    Bukoski, A.2    Harrison, I.3
  • 15
    • 0026414386 scopus 로고
    • 4 dissociation on metals: A quantum dynamics model
    • 4 dissociation on metals: a quantum dynamics model Surf. Sci. 1991, 258, 397-426 10.1016/0039-6028(91)90934-K
    • (1991) Surf. Sci. , vol.258 , pp. 397-426
    • Luntz, A.C.1    Harris, J.2
  • 16
    • 31544440169 scopus 로고    scopus 로고
    • 2 Associative Desorption from Ni(111): Could Subsurface Hydrogen Play an Important Role?
    • 2 Associative Desorption from Ni(111): Could Subsurface Hydrogen Play an Important Role? J. Chem. Phys. 2006, 124, 044706 10.1063/1.2161193
    • (2006) J. Chem. Phys. , vol.124 , pp. 044706
    • Henkelman, G.1    Arnaldsson, A.2    Jonsson, H.3
  • 18
    • 34247568502 scopus 로고    scopus 로고
    • Methane Dissociation on Ni(111): The Role of Lattice Reconstruction
    • Nave, S.; Jackson, B. Methane Dissociation on Ni(111): The Role of Lattice Reconstruction Phys. Rev. Lett. 2007, 98, 173003 10.1103/PhysRevLett.98.173003
    • (2007) Phys. Rev. Lett. , vol.98 , pp. 173003
    • Nave, S.1    Jackson, B.2
  • 19
    • 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
    • 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 10.1063/1.3297885
    • (2010) J. Chem. Phys. , vol.132 , pp. 054705
    • Nave, S.1    Tiwari, A.K.2    Jackson, B.3
  • 20
    • 79955424265 scopus 로고    scopus 로고
    • On the temperature dependence of electronically non-adiabatic vibrational energy transfer in molecule-surface collisions
    • Matsiev, D. et al. On the temperature dependence of electronically non-adiabatic vibrational energy transfer in molecule-surface collisions Phys. Chem. Chem. Phys. 2011, 13, 8153-8162 10.1039/C0CP01418D
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 8153-8162
    • Matsiev, D.1
  • 21
    • 0002523439 scopus 로고    scopus 로고
    • A Molecular Beam Apparatus for Eigenstate-Resolved Studies of Gas-Surface Reactivity
    • McCabe, P. R.; Juurlink, L. B. F.; Utz, A. L. A Molecular Beam Apparatus for Eigenstate-Resolved Studies of Gas-Surface Reactivity Rev. Sci. Instrum. 2000, 71, 42-53 10.1063/1.1150158
    • (2000) Rev. Sci. Instrum. , vol.71 , pp. 42-53
    • McCabe, P.R.1    Juurlink, L.B.F.2    Utz, A.L.3
  • 25
    • 27744460065 scopus 로고
    • Ab-Initio Molecular-Dynamics Simulation of the Liquid-Metal Amorphous-Semiconductor Transition in Germanium
    • Kresse, G.; Hafner, J. Ab-Initio Molecular-Dynamics Simulation of the Liquid-Metal Amorphous-Semiconductor Transition in Germanium Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 49, 14251-14269 10.1103/PhysRevB.49.14251
    • (1994) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.49 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 26
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G.; Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmuller, J.2
  • 27
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse, G.; Furthmuller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 1996, 6, 15-50 10.1016/0927-0256(96)00008-0
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 28
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 30
    • 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, 3865-3868 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 31
    • 4944232881 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple (vol 77, pg 3865, 1996)
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple (vol 77, pg 3865, 1996) Phys. Rev. Lett. 1997, 78, 1396-1396 10.1103/PhysRevLett.78.1396
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396-1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 32
    • 36749120357 scopus 로고
    • Reaction-Path Hamiltonian for Polyatomic-Molecules
    • Miller, W. H.; Handy, N. C.; Adams, J. E. Reaction-Path Hamiltonian for Polyatomic-Molecules J. Chem. Phys. 1980, 72, 99-112 10.1063/1.438959
    • (1980) J. Chem. Phys. , vol.72 , pp. 99-112
    • Miller, W.H.1    Handy, N.C.2    Adams, J.E.3
  • 33
    • 80053207330 scopus 로고    scopus 로고
    • The dissociative chemisorption of methane on Ni(100): Reaction path description of mode-selective chemistry
    • Jackson, B.; Nave, S. The dissociative chemisorption of methane on Ni(100): reaction path description of mode-selective chemistry J. Chem. Phys. 2011, 135, 114701 10.1063/1.3634073
    • (2011) J. Chem. Phys. , vol.135 , pp. 114701
    • Jackson, B.1    Nave, S.2
  • 34
    • 84877728704 scopus 로고    scopus 로고
    • The Dissociative Chemisorption of Methane on Ni(111): The effects of Molecular Vibration and Lattice Motion
    • Jackson, B.; Nave, S. The Dissociative Chemisorption of Methane on Ni(111): The effects of Molecular Vibration and Lattice Motion J. Chem. Phys. 2013, 138, 174705 10.1063/1.4802008
    • (2013) J. Chem. Phys. , vol.138 , pp. 174705
    • Jackson, B.1    Nave, S.2
  • 35
    • 84903362625 scopus 로고    scopus 로고
    • The dissociative chemisorption of methane on Ni(100) and Ni(111): Classical and quantum studies based on the Reaction Path Hamiltonian
    • Mastromatteo, M.; Jackson, B. The dissociative chemisorption of methane on Ni(100) and Ni(111): Classical and quantum studies based on the Reaction Path Hamiltonian J. Chem. Phys. 2013, 139, 194701 10.1063/1.4829678
    • (2013) J. Chem. Phys. , vol.139 , pp. 194701
    • Mastromatteo, M.1    Jackson, B.2
  • 36
    • 84906060789 scopus 로고    scopus 로고
    • Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics
    • Jackson, B.; Nattino, F.; Kroes, G. J. Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics J. Chem. Phys. 2014, 141, 054102 10.1063/1.4891327
    • (2014) J. Chem. Phys. , vol.141 , pp. 054102
    • Jackson, B.1    Nattino, F.2    Kroes, G.J.3
  • 37
    • 84950141232 scopus 로고    scopus 로고
    • The dissociative chemisorption of water on Ni(111): Mode- and bond-selective chemistry on metal surfaces
    • Farjamnia, A.; Jackson, B. The dissociative chemisorption of water on Ni(111): Mode- and bond-selective chemistry on metal surfaces J. Chem. Phys. 2015, 142, 234705 10.1063/1.4922625
    • (2015) J. Chem. Phys. , vol.142 , pp. 234705
    • Farjamnia, A.1    Jackson, B.2
  • 38
    • 84898959748 scopus 로고    scopus 로고
    • Ab Initio molecular dynamics calculations versus quantum state-resolved experiments on CHD3 + Pt(111): New insights into a prototypical gas-surface reaction
    • Nattino, F.; Ueta, H.; Chadwick, H.; van Reijzen, M. E.; Beck, R. D.; Jackson, B.; van Hemert, M. C.; Kroes, G. J. Ab Initio molecular dynamics calculations versus quantum state-resolved experiments on CHD3 + Pt(111): New insights into a prototypical gas-surface reaction J. Phys. Chem. Lett. 2014, 5, 1294-1299 10.1021/jz500233n
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 1294-1299
    • Nattino, F.1    Ueta, H.2    Chadwick, H.3    Van Reijzen, M.E.4    Beck, R.D.5    Jackson, B.6    Van Hemert, M.C.7    Kroes, G.J.8
  • 39
    • 72449130525 scopus 로고    scopus 로고
    • Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect
    • Tiwari, A. K.; Nave, S.; Jackson, B. Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect Phys. Rev. Lett. 2009, 103, 253201 10.1103/PhysRevLett.103.253201
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 253201
    • Tiwari, A.K.1    Nave, S.2    Jackson, B.3
  • 40
    • 77955122806 scopus 로고    scopus 로고
    • The temperature dependence of methane dissociation on Ni(111) and Pt(111): Mixed quantum-classical studies of the lattice response
    • Tiwari, A. K.; Nave, S.; Jackson, B. The temperature dependence of methane dissociation on Ni(111) and Pt(111): mixed quantum-classical studies of the lattice response J. Chem. Phys. 2010, 132, 134702 10.1063/1.3357415
    • (2010) J. Chem. Phys. , vol.132 , pp. 134702
    • Tiwari, A.K.1    Nave, S.2    Jackson, B.3
  • 41
    • 2442446290 scopus 로고    scopus 로고
    • Preference for Vibrational over Translational Energy in a Gas-Surface Reaction
    • Smith, R. R.; Killelea, D. R.; DelSesto, D. F.; Utz, A. L. Preference for Vibrational Over Translational Energy in a Gas-Surface Reaction Science 2004, 304, 992-995 10.1126/science.1096309
    • (2004) Science , vol.304 , pp. 992-995
    • Smith, R.R.1    Killelea, D.R.2    DelSesto, D.F.3    Utz, A.L.4
  • 42
    • 11544320930 scopus 로고    scopus 로고
    • Effect of strain on the reactivity of metal surfaces
    • Mavrikakis, M.; Hammer, B.; Norskov, J. K. Effect of strain on the reactivity of metal surfaces Phys. Rev. Lett. 1998, 81, 2819-2822 10.1103/PhysRevLett.81.2819
    • (1998) Phys. Rev. Lett. , vol.81 , pp. 2819-2822
    • Mavrikakis, M.1    Hammer, B.2    Norskov, J.K.3
  • 43
    • 84887960845 scopus 로고    scopus 로고
    • On the Origin of Mode- and Bond Selectivity in Vibrationally Mediated Reactions on Surfaces
    • Killelea, D. R.; Utz, A. L. On the Origin of Mode- and Bond Selectivity in Vibrationally Mediated Reactions on Surfaces Phys. Chem. Chem. Phys. 2013, 15, 20545-20554 10.1039/c3cp53765j
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 20545-20554
    • Killelea, D.R.1    Utz, A.L.2
  • 44
    • 84884330039 scopus 로고    scopus 로고
    • The Dissociative Chemisorption of Methane on Pt(110)-(1 × 2): The Effects of Lattice Motion on Reactions at Step Edges
    • Han, D.; Nave, S.; Jackson, B. The Dissociative Chemisorption of Methane on Pt(110)-(1 × 2): The Effects of Lattice Motion on Reactions at Step Edges J. Phys. Chem. A 2013, 117, 8651-8659 10.1021/jp402987w
    • (2013) J. Phys. Chem. A , vol.117 , pp. 8651-8659
    • Han, D.1    Nave, S.2    Jackson, B.3
  • 45
    • 70449348245 scopus 로고    scopus 로고
    • Chemically Accurate Simulation of a Prototypical Surface Reaction: H-2 Dissociation on Cu(111)
    • Diaz, C. et al. Chemically Accurate Simulation of a Prototypical Surface Reaction: H-2 Dissociation on Cu(111) Science 2009, 326, 832-834 10.1126/science.1178722
    • (2009) Science , vol.326 , pp. 832-834
    • Diaz, C.1
  • 46
    • 59949103182 scopus 로고    scopus 로고
    • Methane dissociation on Ni(111) and Pt(111): Energetic and dynamical studies
    • Nave, S.; Jackson, B. Methane dissociation on Ni(111) and Pt(111): energetic and dynamical studies J. Chem. Phys. 2009, 130, 054701 10.1063/1.3065800
    • (2009) J. Chem. Phys. , vol.130 , pp. 054701
    • Nave, S.1    Jackson, B.2
  • 47
    • 84900338543 scopus 로고    scopus 로고
    • Vibrationally promoted dissociation of water on Ni(111)
    • Hundt, P. M.; Jiang, B.; van Reijzen, M. E.; Guo, H.; Beck, R. D. Vibrationally promoted dissociation of water on Ni(111) Science 2014, 344, 504-507 10.1126/science.1251277
    • (2014) Science , vol.344 , pp. 504-507
    • Hundt, P.M.1    Jiang, B.2    Van Reijzen, M.E.3    Guo, H.4    Beck, R.D.5
  • 48
    • 84903362556 scopus 로고    scopus 로고
    • Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity
    • Seenivasan, H.; Tiwari, A. K. Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity J. Chem. Phys. 2013, 139, 174707 10.1063/1.4827641
    • (2013) J. Chem. Phys. , vol.139 , pp. 174707
    • Seenivasan, H.1    Tiwari, A.K.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.