Predicting CH4 dissociation kinetics on metals: Trends, sticking coefficients, h tunneling, and kinetic isotope effect

Journal of Physical Chemistry C

Volumn 117, Issue 44, 2013, Pages 22811-22826

  German, Ernst D ^a   Sheintuch, Moshe ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

DRY REFORMING-OF-METHANE; KINETIC CHARACTERISTICS; KINETIC ISOTOPE EFFECTS; QUANTITATIVE AGREEMENT; STICKING COEFFICIENTS; TEMPERATURE DEPENDENCE; TEMPERATURE DEPENDENCIES; VIBRATIONAL ENERGY LEVELS;

ACTIVATION ENERGY; ADSORPTION; CARRIER MOBILITY; CATALYSIS; DISSOCIATION; FORECASTING; IRIDIUM; ISOTOPES; KINETICS; METHANE; MOLECULES; NICKEL; RATE CONSTANTS; RHODIUM;

SURFACE REACTIONS;

EID: 84889798391     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp406937r     Document Type: Article

References (137)

1. Bengaard, H. S.; Nørskov, J. K.; Sehested, J.; Clausen, B. S.; Nielsen, L. P.; Molenbroek, A. M.; Rostrup-Nielsen, J. R. Steam Reforming and Graphite Formation on Ni Catalysts J. Catal. 2002, 209, 365-384
2. Rostrup-Nielsen, J. R. In Catalytic Steam Reforming Catalysis-Science and Technology; Anderson, J. R.; Boudart, M., Eds.; Springer: Berlin, 1984.
3. Simakov, D. S. A.; Sheintuch, M. Demonstration of a Scaled-Down Autothermal Membrane Methane Reforming Hydrogen Generation Int. J. Hydrogen Energy 2009, 34, 8866-8876
4. Winters, H. F. The Activated, Dissociative Chemisorption of Methane on Tungsten J. Chem. Phys. 1975, 64, 2454-2460
5. Winters, H. F. The Kinetic Isotope Effect in the Dissociative Chemisorption of Methane J. Chem. Phys. 1976, 64, 3495-3500
6. 4 on W(110): Dramatic Activation by Initial Kinetic Energy Phys. Rev. Lett. 1985, 54, 2716-2719
7. Rettner, C. T.; Pfnür, H. E.; Auerbach, D. A. On the Role of Vibrational Energy in the Activated Dissociative Chemisorption of Methane on Tungsten and Rhodium J. Chem. Phys. 1986, 84, 4163-4167
8. 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
9. 4 Dissociation on Metals: A Quantum Dynamics Model Surf. Sci. 1991, 258, 397-426
10. Luntz, A. C.; Bethune, D. S. Activation of Methane Dissociation on a Pt(111) Surface J. Chem. Phys. 1989, 90, 1274-1280
11. 4 Dissociation on Ni(100): Comparison of a Direct Dynamical Model to Molecular Beam Experiments J. Chem. Phys. 1995, 102, 8264-8269
12. Hand, M.; Harris, J. Recoil Effects in Surface Dissociation J. Chem. Phys. 1990, 92, 7610-7617
13. Luntz, A. C.; Winters, H. F. Dissociation of Methane and Ethane on Pt(110): Evidence for a Direct Mechanism under Thermal Conditions J. Chem. Phys. 1994, 101, 10980-10989
14. Lo, T.-Ch; Ehrich, G. Activated Chemisorption of Methane and Tunneling Surf. Sci. 1987, 179, L19-L25
15. Beebe, T. P., Jr.; Goodman, D. W.; Kay, B. D.; Yates, J. T, Jr. Kinetics of the Activated Dissociative Adsorption of Methane on the Low Index Planes of Nickel Single Crystal Surfaces J. Chem. Phys. 1987, 87, 2305-2315
16. Jiang, X.; Goodman, D. W. Dissociative Adsorption of Alkanes on Clean and Sulfur-Modified Nickel Surfaces Appl. Phys. A: Mater. Sci. Process. 1990, 51, 99-107
17. Schoofs, G. R.; Arumainayagam, C. R.; McMaster, M. C.; Madix, R. J. Dissociative Chemisorption of Methane on Pt(111) Surf. Sci. 1989, 215, 1-28
18. Nave, S.; Jackson, B. Methane Dissociation on Ni(111): The Role of Lattice Reconstruction Phys. Rev. Lett. 2007, 98, 173003/1-173003/4
19. Nave, S.; Jackson, B. Methane Dissociation on Ni(111): The Effects of Lattice Motion and Relaxation on reactivity J. Chem. Phys. 2007, 127, 224702/1-224702/11
20. 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, 134702/1-134702/9
21. 4 on Ni: The Role of Molecular Orientation J. Chem. Phys. 1998, 108, 3722-3730
22. Nave, S.; Jackson, B. Methane Dissociation on Ni(111) and Pt(111): Energetic and Dynamical Studies J. Chem. Phys. 2009, 130, 054701/1-054701/14
23. 2 Associative Desorption from Ni(111): Could Subsurface Hydrogen Play an Important Role? J. Chem. Phys. 2006, 124, 044706/1-044706/9
24. Burghgraef, H.; Jansen, A. P. J.; van Santen, R. A. Electronic Structure Calculations and Dynamics of Methane Activation on Nickel and Cobalt J. Chem. Phys. 1994, 101, 11012-11020
25. Burghgraef, H.; Jansen, A. P. J.; van Santen, R. A. Methane Activation and Dehydrogenation on Nickel and Cobalt: a Computational Study Surf. Sci. 1995, 324, 345-356
26. Klier, K.; Hess, J. S.; Herman, R. G. Structure Sensitivity of Methane Dissociation on Palladium Single Crystal Surfaces J. Chem. Phys. 1997, 107, 4033-4043
27. Wang, Y.-N.; Herman, R. G.; Klier, K. Dissociative Adsorption of Methane on Pd(679) Surface Surf. Sci. 1992, 279, 33-48
28. 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, 054705/1-054705/12
29. Kay, B. D.; Coltrin, M. E. Quantum Tunneling and the Activation Chemisorption of Methane on Tungsten. Comment on 'Activated Chemisorption of Methane and Tunneling' Surf. Sci. 1988, 198, L375-L379
30. Ceyer, S. T. Translational and Collision-Induced Activation of CH4 on Ni(111): Phenomena Connecting Ultra-High-Vacuum Surface Science to High-Pressure Heterogeneous Catalysis Langmuir 1990, 6, 82-87
31. 3 on Ni(111) J. Am. Chem. Soc. 1991, 113, 6442-6449
32. 4 on Ni(111) J. Chem. Phys. 1992, 96, 5529-5537
33. x Fragments on Ni(111) Surf. Sci. 1991, 255, 193-207
34. 4 on Ni(111) by Inert Gas Atoms: The Mechanism for Chemistry with a Hammer J. Chem. Phys. 1989, 91, 5756-5777
35. Stewart, C. N.; Ehrlich, G. Dynamics of Activated Chemisorption: Methane on Rhodium J. Chem. Phys. 1975, 62, 4672-4682
36. Brass, S. G.; Ehrlich, G. Activated Chemisorption: Internal Degrees of Freedom and Measured Activation Energies Phys. Rev. Lett. 1986, 57, 2532-2535
37. Brass, S. G.; Ehrlich, G. Dissociative and Molecular Adsorption of Methane on Rhodium Surf. Sci. 1987, 187, 21-35
38. 4 on Rhodium J. Chem. Phys. 1987, 87, 4285-4293
39. 4 Dissociation on Pt(111) Phys. Rev. Lett. 1991, 67, 652-655
40. Marcus, R. A.; Cohen, A. O. On the Slope of Free Energy Plots in Chemical Kinetics J. Phys. Chem. 1968, 72, 4249-4256
41. Hanley, L.; Xu, Z.; Yates, J. T., Jr. Methane Activation on Ni(111) at High Pressures Surf. Sci. 1991, 248, L265-L273
42. Nielsen, B. Ø.; Luntz, A. C.; Homblad, P. M.; Chorkendorff, I. Activated Dissociative Chemisorption of Methane on Ni(100): A Direct Mechanism under Thermal Conditions? Catal. Lett. 1995, 32, 15-30
43. Campbell, R.; Szanyi, J.; Lenz, P.; Goodman, D. W. Methane Activation on Clean and Oxidized Ni(100) Catal. Lett. 1993, 17, 39-46
44. Seets, D. C.; Wheeler, M. C.; Mullins, C. B. Trapping-Mediated and Direct Dissociative Chemisorption of Methane on Ir(110): A Comparison of Molecular Beam and Bulb Experiments J. Chem. Phys. 1997, 107, 3986-3998
45. 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, 10229-10240
46. Jachimowski, T. A.; Hagedorn, C. J.; Weinberg, W. H. Direct and Trapping-Mediated Dissociative Chemisorption of Methane on Ir(111) Surf. Sci. 1997, 393, 126-134
47. Larsen, J. H.; Chorkendorff, I. From Fundamental Studies of Reactivity on Single Crystals to the Design of Catalysts Surf. Sci. Rep. 1999, 35, 163-222
48. Bukoski, A.; Abbott, H. L.; Harrison, I. Microcanonical Unimolecular Rate Theory at Surfaces. III. Thermal Dissociative Chemisorption of Methane on Pt(111) and Detailed Balance J. Chem. Phys. 2005, 123, 094707/1-094707/17
49. Abbott, H. L.; Harrison, I. Methane Dissociative Chemisorption on Ru(0001) and Comparison to Metal Nanocatalysts J. Catal. 2008, 254, 27-38
50. Abbott, H. L.; Harrison, I. Dissociative Chemisorption and Energy Transfer for Methane on Ir(111) J. Phys. Chem. B 2005, 109, 10371-10380
51. 4 Dissociation on Ru(0001): A View from both Sides of the Barrier J. Chem. Phys. 2002, 116, 5781-5794
52. 4 Dissociation on Ni(111) Surf. Sci. 1995, 344, 149-158
53. 4 Dissociation on Pure and Goldalloyed Ni(111) Surfaces J. Chem. Phys. 1966, 105, 5595-5604
54. x Species on Ni(111) J. Catal. 2000, 189, 16-30
55. Gajewski, G.; Pao, C.-W. Ab Initio Calculations of the Reaction Pathways for Methane Decomposition over the Cu(111) Surface J. Chem. Phys. 2011, 135, 064707/1-064707/9
56. Kokalj, A.; Bonini, N.; Gironcoli, S.; Sbraccia, C.; Fratesi, G.; Baroni, S. Methane Dehydrogenation on Rh@Cu(111): A First-Principles Study of a Model Catalyst J. Am. Chem. Soc. 2006, 128, 12448-12454
57. Liu, Z.-P.; Hu, P. General Rules for Predicting Where a Catalytic Reaction Should Occur on Metal Surfaces: A Density Functional Theory Study of C-H and C-O Bond Breaking/Making on Flat, Stepped, and Kinked Metal Surfaces J. Am. Chem. Soc. 2003, 125, 1958-1967
58. Ciobica, I. M.; Frechard, F.; van Santen, R. A.; Kleyn, A. W.; Hafner, J. A DFT Study of Transition States for C-H Activation on the Ru(0001) Surfaces J. Phys. Chem. B 2000, 104, 3364-3369
59. 4 on an Ir(111) Surface Phys. Rev. Lett. 2001, 86, 664-667
60. van Grootel, P. W.; van Santen, R. A.; Hensen, E. J. M. Methane Dissociation on High and Low Indices Rh Surfaces J. Phys. Chem. C 2011, 115, 13027-13034
61. 4 Reforming Reactions on Ni(111): A Density Functional Theory Calculation Surf. Sci. 2009, 603, 2600-2606
62. Michaelides, A.; Liu, Z.-P.; Zhang, C. J.; Alavi, A.; King, D. A.; Hu, P. Identification of General Linear Relationships between Activation Energies and Enthalpy Changes for Dissociation Reactions at Surfaces J. Am. Chem. Soc. 2003, 125, 3704-3705
63. Galea, N. M.; Knapp, D.; Ziegler, T. Density Functional Theory Studies of Methane Dissociation on Anode Catalysts in Solid-Oxide Fuel Cells: Suggestions for Coke Reduction J. Catal. 2007, 247, 20-33
64. Au, C.-T.; Liao, M.-S.; Ng, C.-F. A Detailed Theoretical Treatment of the Partial Oxidation of Methane to Syngas on Transition and Coinage Metal (M) Catalysts (M=Ni, Pd, Pt, Cu) J. Phys. Chem. A 1998, 102, 3959-3969
65. Au, C.-T.; Ng, C.-F.; Liao, M.-S. Methane Dissociation and Syngas Formation on Ru, Os, Rh, Ir, Pd, Pt, Cu, Ag, and Au: A Theoretical Study J. Catal. 1999, 185, 12-22
66. Bunnik, B. S.; Kramer, G. J. Energetics of Methane Dissociative Adsorption on Rh{111} from DFT Calculations J. Catal. 2006, 242, 309-318
67. Michaelides, A.; Hu, P.; Alavi, A. Physical Origin of the High Reactivity of Subsurface Hydrogen in Catalytic Hydrogenation J. Chem. Phys. 1999, 111, 1343-1345
68. Cai, J.-Q.; Tao, X.-M; Tan, M.-Q. Atomic Geometry and Adsorption of Cu(100)/H System Acta Phys. Chim. Sin. 2007, 23, 355-360
69. Grabow, L. C.; Gokhale, A. A.; Evans, S. T.; Dumesic, J. A.; Mavrikakis, M. Mechanism of the Water Gas Shift Reaction on Pt: First Principles, Experiments, and Microkinetic Modeling J. Phys. Chem. C 2008, 112, 4608-4617
70. Stamatakis, M.; Chen, Y.; Vlachos, D. G. First-Principles-Based Kinetic Monte Carlo Simulation of the Structure Sensitivity of the Water-Gas Shift Reaction on Platinum Surfaces J. Phys. Chem. C 2011, 115, 24750-24762
71. Walter, E. J.; Rappe, A. M. Coadsorption of Methyl Radicals and Oxygen on Rh(111) Surf. Sci. 2004, 549, 265-272
72. 4 dissociation on NiPd(111) surface Surf. Sci. 2013, 612, 63-68
73. Fan, C.; Zhu, Y.-A.; Xu, Y.; Zhou, Y.; Zhou, X.-G.; Chen, D. Origin of Synergistic Effect over Ni-based Bimetallic Surfaces: A Density Functional Theory Study J. Chem. Phys. 2012, 137, 014703/1-014703/11
74. An, W.; Zeng, X. C.; Tumer, C. H. First-Principles Study of Methane Dehydrogenation on a Bimetallic Cu/Ni(111) Surface J. Chem. Phys. 2009, 131, 174702/1-174702/11
75. Michaelides, A.; Hu, P. Insight into Microscopic Reaction Pathways in Heterogeneous Catalysis J. Am. Chem. Soc. 2000, 122, 9866-9867
76. Abid-Pedersen, F.; Lytken, O.; Engbaek, J.; Nielsen, G.; Chorkendorff, I.; Nørskov, J. K. Methane Activation on Ni(111): Effects of Poisons and Step Defects Surf. Sci. 2005, 590, 127-137
77. Abid-Pedersen, F.; Greeley, J.; Studt, F.; Rossmeis, I. J; Munter, T. R.; Moses, P. G.; Skulason, E.; Bligaard, T.; Nørskov, J. K. Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces Phys. Rev. Lett. 2007, 99, 016105/1-016105/4
78. Wang, S. Universal Transition State Scaling Relations for (De)Hydrogenation over Transition Metals Phys. Chem. Chem. Phys. 2011, 13, 20760-20765
79. Nørskov, J. K. Universality in Heterogeneous Catalysis J. Catal. 2002, 209, 275-278
80. Cheng, J.; Hu, P. Utilization of the Three-Dimensional Volcano Surface to Understand the Chemistry of Multiphase System in Heterogeneous Catalysis J. Am. Chem. Soc. 2008, 130, 10868-10869
81. Nørskov, J. K.; Bligaard, T.; Rossmeisl, J.; Christensen, C. H. Towards the Computational Design of Solid Catalyst Nat. Chem. 2009, 1, 37-46
82. German, E. D.; Sheintuch, M. Kinetics of Catalytic OH Dissociation on Metal Surfaces J. Phys. Chem. C 2012, 116, 5700-5709
83. Kuznetsov, A. M. Charge Transfer in Physics, Chemistry and Biology; Gordon & Breach: Reading, U.K., 1995.
84. Kuznetsov, A. M. Stochastic and Dynamic Views of Chemical Reaction Kinetics in Solutions; Press Polytechniques et Universitaires: Lausanne, Switzerland, 1999.
85. German, E. D.; Sheintuch, M. Analytical Approach for Estimating Kinetics of Elementary Steps on Transition Metals: Tunneling, Trends and Brønsted-Evans-Polanyi relation J. Electroanal. Chem. 2011, 660, 261-275
86. German, E. D.; Kuznetsov, A. M.; Sheintuch, M. Quantum Mechanical Model for the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces J. Phys. Chem. A 2005, 109, 3542-3549
87. Lide, D. R., Ed. CRC Handbook of Chemistry and Physics, Internet Version 2005, (http://www.hbcpnetbase.com); CRC Press: Boca Raton, FL, 2005.
88. Bertolini, J. C.; Tardy, B. Vibrational EELS Studies of CO Chemisorption on Clean and Carbided (111) and (100) Nickel Surfaces Surf. Sci. 1981, 102, 131-150
89. Landau, L. D.; Lifshitz, E. M. Quantum Mechanics; Pergamon: Oxford, U.K., 1965.
90. Georgievskii, Y.; Stuchebrukhov, A. A. Concerted Electron and Proton Transfer: Transition from Nonadiabatic to Adiabatic Proton Tunneling J. Chem. Phys. 2000, 113, 10438-10450
91. Psofogiannakis, G.; St-Amant, A.; Ternan, M. Methane Oxidation Mechanism on Pt(111): A Cluster Model DFT Study J. Phys. Chem. B 2006, 110, 24593-24605
92. Zhu, Y.-A.; Chen, D.; Zhou, X.-G.; Yuan, W.-K. DFT Studies of Dry Reforming of Methane on Ni Catalyst Catal. Today 2009, 148, 260-267
93. Christmann, K.; Schober, O.; Ertl, G.; Neumann, M. Adsorption of Hydrogen on Nickel Single Crystal Surfaces J. Chem. Phys. 1974, 60, 4528-4540
94. 2 and H adsorption on Ni(111) J. Chem. Phys. 2000, 112, 6006-6013
95. Pozzo, M.; Carlini, G.; Rosei, R.; Alfe, D. Comparative Study of Water Dissociation on Rh(111) and Ni(111) Studied with First Principle Calculations J. Chem. Phys. 2007, 126, 164706/1-164706/12
96. Greeley, J.; Mavrikakis, M. A First-Principles Study of Surface and Subsurface H on and in Ni(111): Diffusional Properties and Coverage-Dependent Behavior Surf. Sci. 2003, 540, 215-229
97. Cavanagh, R. R.; Kelly, R. D.; Rush, J. J. Neutron Vibrational Spectroscopy of Hydrogen and Deuterium on Raney Nickel J. Chem. Phys. 1982, 77, 1540-1547
98. Greeley, J.; Mavrikakis, M. Surface and Subsurface Hydrogen: Adsorption Properties on Transition Metals and Near-Surface Alloys J. Phys. Chem. B 2005, 109, 3460-3471
99. Paul, J.-F.; Sautet, P. Comparison of the Nature of the Hydrogen-Metal Bond on Pd(111) and Ni(111) by a Periodic Density Functional Method Surf. Sci. 1996, 356, L403-L409
100. Hammer, L.; Landskron, H.; Nichtl-Pecher, H.; Fricke, A.; Heinz, K.; Müller, K. Hydrogen-Induced Restructuring of Close-Packed Metal Surfaces: H/Ni(111) and H/Fe(111) Phys. Rev. B 1993, 47, 15969-15972
101. Christmann, K.; Behm, R. J.; Ertl, G.; Van Hove, M. A.; Weinberg, W. H. Chemisorption Geometry of Hydrogen on Ni(111): Order and Disorder J. Chem. Phys. 1979, 70, 4168-4184
102. Schüle, J.; Siegbahn, P.; Wahlgren, U. A Theoretical Study of Methyl Chemisorption on Ni(111) J. Chem. Phys. 1988, 89, 6982-6988
103. Wang, G.-C.; Li, J.; Xu, X.-F.; Li, R.-F.; Nakamura, J. The Relationship between Adsorption Energies of Methyl on Metals and Metallic Electronic Properties: A First-Principles DFT Study J. Comput. Chem. 2005, 26, 871-878
104. Michaelides, A.; Hu, P. Methyl Chemisorption on Ni(111) and C-H-M Multicentre Bonding: A Density Functional Theory Study Surf. Sci. 1999, 437, 362-376
105. Michaelides, A.; Hu, P. Softened C-H Modes of Adsorbed Methyl and their Implications for Dehydrogenation: An ab Initio Study J. Chem. Phys. 2001, 114, 2523-2526
106. Catapan, R. C.; Oliveira, A. A. M.; Chen, Y.; Vlachos, D. G. DFT Study of the Water-Gas Shift Reaction and Coke Formation on Ni(111) and Ni(211) Surfaces J. Phys. Chem. C 2012, 116, 20281-20291
107. Ford, D. C.; Xu, Y.; Mavrikakis, M. Atomic and Molecular Adsorption on Pt(111) Surf. Sci. 2005, 587, 159-174
108. Wilke, S.; Natoli, V.; Cohen, M. H. Theoretical Investigation of Water Formation on Rh and Pt Surfaces J. Chem. Phys. 2000, 112, 9986-9995
109. Strömquist, J.; Bengtsson, L.; Persson, M.; Hammer, B. The Dynamics of H Adsorption in and Adsorption on Cu(111) Surf. Sci. 1998, 397, 382-394
110. Gokhale, A. A.; Dumesic, J. A.; Mavrikakis, M. On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper J. Am. Chem. Soc. 2008, 130, 1402-1414
111. Tang, Q.-L.; Chen, Z.-X.; He, X. A Theoretical Study of the Water Gas Shift Reaction Mechanism on Cu(111) Model System Surf. Sci. 2009, 603, 2138-2144
112. 3 on Cu(111): A Density Functional Theory Study Surf. Sci. 2002, 498, 203-211
113. 3O Decomposition on PdZn(111), Pd(111), and Cu(111). A Theoretical Study Langmuir 2004, 20, 8068-8077
114. Chuang, T. J.; Chan, Y. L.; Chuang, P.; Klauser, R. The Surface Chemistry of Methyl and Methylene Radicals Adsorbed on Cu(111) J. Electron Spectrosc. Relat. Phenom. 1999, 98-99, 149-173
115. Chiang, C.-M.; Bent, B. E. Methyl Radical Adsorption on Cu(111): Bonding, Reactivity, and the Effect of Coadsorbed Iodine Surf. Sci. 1992, 279, 79-88
116. Watson, G. W.; Wells, R. P. K.; Willock, D. J.; Hutchings, G. J. A Comparison of the Adsorption and Diffusion of Hydrogen on the {111} Surfaces of Ni, Pd, and Pt from Density Functional Theory Calculations J. Phys. Chem. B 2001, 105, 4889-4894
117. x Fragments (x=0-3) on a Pd(111) Surface: A Periodic Density Functional Study J. Phys. Chem. B 1998, 102, 1578-1585
118. Conrad, H.; Kordesh, M. E.; Scala, R.; Stenzel, W. Surface Resonances on Pd(111)/H Observed with HREELS J. Electron Spectrosc. Relat. Phenom. 1986, 38, 289-298
119. Conrad, H.; Scala, R.; Stenzel, W.; Unwin, R. Adsorption of Hydrogen and Deuterium on Ru (001) J. Chem. Phys. 1984, 81, 6371-6378
120. Shi, H.; Jacobi, K. Hydrogen Vibrations on the Ru(001) Surface Revisited Surf. Sci. 1994, 313, 289-294
121. Lindroos, M.; Pfnür, H.; Menzel, D. Investigation of a Disordered System by Electron Reflection: H/Ru(001) at Intermediate Coverages Surf. Sci. 1987, 192, 421-437
122. Chou, M. Y.; Chelikowsky, J. R. Theoretical Study of Hydrogen Adsorption on Ru(0001): Possible Surface and Subsurface Occupation Sites Phys. Rev. B 1989, 39, 5623-5631
123. Barteau, M. A.; Broughton, J. Q.; Menzel, D. Determination of Hydrogen Atom Binding Sites on Ru(001) by HREELS Surf. Sci. 1983, 133, 443-452
124. Mavrikakis, M.; Rempel, J.; Greeley, J.; Hansen, L. B.; Nørskov, J. K. Atomic and Molecular Adsorption on Rh(111) J. Chem. Phys. 2002, 117, 6737-6744
125. Yanagita, H.; Fujioka, H.; Aruga, T.; Takagi, N.; Nishijima, N. Vibrational Spectra of Hydrogen on Rh(111) Surface Surf. Sci. 1999, 441, 507-514
126. Lee, G.; Plummer, E. W. Interaction of Hydrogen with the Ag(111) Surface Phys. Rev. B 1955, 51, 7250-7261
127. 4 on Ni(111) and Ru(0001) Surf. Sci. 2002, 497, 183-193
128. Wu, M.-C.; Goodman, D. W. High-Resolution Electron Energy-Loss Measurements of Sticking Coefficients of Methane Decomposition on Ru(0001) Surf. Sci. Lett. 1994, 306, L529-L533
129. Zeigarnik, A. V.; Shustorovich, E. The UBI-QEP Method: Mechanistic and Kinetic Studies of Heterogeneous Catalytic Reactions Russ. J. Phys. Chem. B 2007, 1, 330-356
130. Shustorovich, E.; Sellers, H. The UBI-QEP Method: A Practical Theoretical Approach to Understanding Chemistry on Transition Metal Surfaces Surf. Sci. Rep. 1998, 31, 1-119
131. 4 Dissociation on Pt(111) J. Phys. Chem. B 2006, 110, 6705-6713
132. 4 on Ru(0001) J. Chem. Phys. 1999, 110, 2637-2642
133. Blaylock, D. W.; Ogura, T.; Geen, 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, 4898-4908
134. Marsh, A. L.; Becraft, K. A.; Somorjai, G. A. Methane Dissociative Adsorption on the Pt(111) Surface over the 300-500 K Temperature and 1-10 Torr Pressure Ranges J. Phys. Chem. B 2005, 109, 13619-13622
135. Higgins, J.; Conjusteau, A.; Scoles, G.; Bernasek, S. L. State Vibrational (2v3) Activation of the Chemisorption of Methane on Pt(111) J. Chem. Phys. 2001, 114, 5277-5283
136. Bengaard, H. S.; Alstrup, I.; Chorkendorf, I.; Ullmann, S.; Rostrup-Nielsen, J. R.; Nørskov, J. K. Chemisorption of Methane on Ni(100) and Ni(111) Surfaces with Preadsorbed Potassium J. Catal. 1999, 187, 238-244
137. Wei, J.; Iglesia, E. Mechanism and Site Requirements for Activation and Chemical Conversion of Methane on Supported Pt Clusters and Turnover Rate Comparisons among Noble Metals J. Phys. Chem. B 2004, 108, 4094-4103