Molecular reaction dynamics: Surfaces

Encyclopedia of Chemical Physics and Physical Chemistry: Volume 1: Fundamentals

Volumn , Issue , 2023, Pages 775-794

  Darling, George R ^a   Holloway, Stephen ^a   Rettner, Charles ^b  

^a UNIVERSITY OF LIVERPOOL   (United Kingdom)

^b IBM ALMADEN RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 27944498739     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter

References (102)

1. Barker J A and Auerbach D J 1985 Gas-surface interactions and dynamics; thermal energy atomic and molecular beam studies Surf. Sci. Rep. 4 1
2. Rettner C T and Ashfold M N R 1991 Dynamics of Gas-Surface Interactions (London: Royal Society of Chemistry)
3. Rettner C T, Auerbach D J, Tully J C and Kleyn A W 1996 Chemical dynamics at the gas-surface interface J. Phys. Chem. 100 13 201
4. Langmuir I 1922 Chemical reactions on surfaces Trans. Faraday Soc. 17 607
5. Holloway S 1993 Dynamics of gas-surface interactions Surf Sci. 299/300 656
6. Ertl G 1993 Reactions at well-defined surfaces Surf. Sci. 299/300 742
7. Rettner C T, Michelsen H A and Auerbach D J 1993 From quantum-state-specific dynamics to reaction-rates-the dominant role of translational energy in promoting the dissociation of D2 on Cu(111) under equilibrium conditions Faraday Discuss. 96 17
8. Harris J and Kasemo B 1981 On precursor mechanisms for surface reactions Surf. Sci. 105 L281
9. Zangwill A 1988 Physics at Surfaces (Cambridge: Cambridge University Press)
10. Head-Gordon M, Tully J C, Rettner C T, Mullins C B and Auerbach D J 1991 On the nature of trapping and desorption at high surface temperatures: Theory and experiments for the Ar-Pt(111) system J. Chem. Phys. 94 1516
11. Spruit MEM, van den Hoek P J, Kuipers E W, Geuzebroek F and Kleyn A W 1989 Direct inelastic scattering of superthermal Ar, CO, NO and 02 from Ag(III) Surf. Sci. 214 591
12. Harris J 1987 Notes on the theory of atom-surface scattering Phys. Sen 36 156
13. Harris J 1991 Mechanical energy transfer in particle-surface collisions Dynamics of Gas-Surface Interactions ed C T Rettner and M N R Ashfold (London: Royal Society of Chemistry) p 1
14. Hurst J E, Becker C A, Cowin J P, Janda K C, Auerbach D J and Wharton L 1979 Observation of direct inelastic scattering in the presence of trapping-desorption scattering: Xe on Pt(111) Phys. Rev. Lett. 43 1175
15. Janda K C, Hurst J E, Cowin J P, Warton L and Auerbach D J 1983 Direct-inelastic and trapping-desorption scattering of N2 and CH4 from Pt(111) Surf. Sci. 130 395
16. Barker J A and Rettner C T 1992 Accurate potential energy surface for Xe/Pt(111): A benchmark gas-surface interaction potential J. Chem. Phys. 97 5844
17. Kirchner E J J, Kleyn A W and Baerends E J 1994 A comparative study of Ar/Ag(111) potentials J. Chem. Phys. 101 9155
18. Schweizer E K and Rettner C T 1989 Quantum effects in the scattering of argon from 2H-W(100) Phys. Rev. Lett. 62 3085
19. Lennard-Jones J E and Devonshire A F 1936 Diffraction and selective adsorption of atoms at crystal surfaces Nature 137 1069
20. Andersson S, Wilzén L, Persson M and Harris J 1989 Sticking in the quantum regime: H2 and D2 on Cu(100) Phys. Rev. B 40 8146
21. Persson M, Wilzén L and Andersson S 1990 Mean free path of a trapped physisorbed hydrogen molecule Phys. Rev. B 42 5331
22. Backx C, de Groot C P M and Biloen P 1981 Adsorption of oxygen on Ag(110) studied by high resolution ELS and TPD Surf. Sci. 104 300
23. Gravil P A and Bird D M 1996 Chemisorption of O2 on Ag(110) Surf. Sci. 352 248
24. Campbell C T 1985 Atomic and molecular oxygen adsorption on Ag(111) Surf. Sci. 157 43
25. Rettner C T 1991 Inelastic scattering of NO from Ag(111): Internal state, angle, and velocity resolved measurements J. Chem. Phys. 94 734
26. Lahaye R J W E, Stolte S, Holloway S and Kleyn A W 1996 NO/Pt(111) orientation and energy dependence of scattering J. Chem. Phys. 104 8301
27. Heinzmann U, Holloway S, Kleyn A W, Palmer R E and Snowdon K J 1996 Orientation in molecule-surface interactions J. Phys.: Condens. Matter 8 3245
28. Rettner C T, Kimman J, Fabre F, Auerbach D J and Morawitz H 1987 Direct vibrational excitation in gas-surface collisions of NO with Ag(111) Surf. Sci. 192 107
29. Gates G A, Darling G R and Holloway S 1994 A theoretical study of the vibrational excitation of NO/Ag(111) J. Chem. Phys. 101 6281
30. Gro B A and Brenig W 1993 Vibrational excitation of NO in NO Ag scattering revisited Surf. Sci. 289 335
31. Auerbach D J and Rettner C T 1987 Precursor states, myth or reality: A perspective from molecular beam studies Kinetics of Interface Reactions ed M Grunze and H J Kreuzer (Berlin: Springer) p 125
32. Luntz A C, Grimblot J and Fowler D 1989 Sequential precursors in dissociative chemisorption-O2 on Pt(111) Phys. Rev. B 39 12903
33. Vattuone L, Boragno C, Pupo M, Restelli P, Rocca M and Valbusa U 1994 Azimuthal dependence of sticking probability of O2 on Ag(110) Phys. Rev. Lett. 72 510
34. Doren D J and Tully J C 1991 Dynamics of precursor-mediated chemisorption J. Chem. Phys. 94 8428
35. Kang H C and Weinberg W H 1994 Kinetic modelling of surface rate processes Surf. Sci. 299/300 755
36. DePristo A E and Kara A 1990 Molecule-surface scattering and reaction dynamics Adv. Chem. Phys. 11 163
37. Darling G R and Holloway S 1995 The dissociation of diatomic molecules Rep. Prog. Phys. 58 1595
38. Jacobs D C 1995 The role of internal energy and approach geometry in molecule-surface reactive scattering J. Phys.: Condens. Matter 1 1023
39. Gro B A 1996 Dynamical quantum processes of molecular beams at surfaces-hydrogen on metals Surf. Sci. 363 1
40. Gro B A 1998 Reactions at surfaces studied by ab initio dynamics calculations Surf. Sci. Rep. 32 291
41. Kroes G J 1999 Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces Prog. Surf. Sci. 60 1
42. Lennard-Jones J E 1932 Processes of adsorption and diffusion on solid surfaces Trans. Faraday Soc. 28 333
43. Kasemo B 1996 Charge transfer, electronic quantum processes, and dissociation dynamics in molecule-surface collisions Surf. Sci. 363 22
44. Katz G, Zeiri Y and Kosloff R 1999 Non-adiabatic charge transfer process of oxygen on metal surfaces Surf. Sci. 425 1
45. Bòttcher A, Imbeck R, Morgante A and Ertl G 1990 Nonadiabatic surface reaction: Mechanism of electron emission in the CS+O2 system Phys. Rev. Lett. 65 2035
46. Polanyi J C and Wong W H 1969 Location of energy barriers. I. Effect on the dynamics of reactions A + BC J. Chem. Phys. 51 1439
47. Polanyi J C 1987 Some concepts in reaction dynamics Science 236 680
48. Robota H J, Vielhaber W, Lin M C, Segner J and Ertl G 1985 Dynamics of the interaction of H2 and D2 with Ni(110) and Ni(111) surfaces Surf. Sci. 155 101
49. Rendulic K D, Anger G and Winkler A 1989 Wide-range nozzle beam adsorption data for the systems H2/NÍ and H2/Pd(100) Surf. Sci. 208 404
50. Hay den B E and Lamont C L A 1989 Coupled translational-vibrational activation in dissociative hydrogen adsorption on Cu(110) Phys. Rev. Lett. 63 1823
51. Michelsen H A, Rettner C T and Auerbach D J 1993 The adsorption of hydrogen at copper surfaces: A model system for the study of activated adsorption Surface Reactions ed R J Madix (Berlin: Springer) p 123
52. Rettner C T, Michelsen H A and Auerbach D J 1995 Quantum-state-specific dynamics of the dissociative adsorption and associative desorption of H2 at a Cu(111) surface J. Chem. Phys. 102 4625
53. Rettner C T, Auerbach D J and Michelsen H A 1992 Observation of direct vibrational-excitation in collisions of H2 and D2 with a Cu(111) surface Phys. Rev. Lett. 68 2547
54. Hodgson A, Moryl J, Traversaro P and Zhao H 1992 Energy transfer and vibrational effects in the dissociation and scattering of D2 from Cu(111) Nature 356 501
55. Rettner C T, Fabre F, Kimman J and Auerbach D J 1985 Observation of direct vibrational-excitation in gas-surface collisions-NO on Ag(111) Phys. Rev. Lett. 55 1904
56. Beauregard J N and Mayne H R 1993 The role of reactant rotation and rotational alignment in the dissociative chemisorption of hydrogen on Ni(100) Chem. Phys. Lett. 205 515
57. Darling G R and Holloway S 1993 Rotational effects in the dissociative adsorption of H2 on Cu(111) Faraday Discuss. Chem. Soc. 96 43
58. Darling G R and Holloway S 1994 Rotational motion and the dissociation of H2 on Cu(111) J. Chem. Phys. 101 3268
59. Wahnstròm G, Lee A B and Strõmquist J 1996 Motion of ‘hot’ oxygen adatoms on corrugated metal surfaces J. Chem. Phys. 105 326
60. Wang Z S, Darling G R and Holloway S 2000 Translation-to-rotational energy transfer in scattering of H2 molecules from Cu(111) surfaces Surf. Sci. 458 63
61. Somorjai G A 1994 The surface science of heterogeneous catalysis Surf. Sci. 299/300 849
62. Bird D M, Clarke L J, Payne M C and Stich I 1993 Dissociation of H2 on Mg(0001) Chem. Phys. Lett. 212 518
63. White J A, Bird D M, Payne M and Stich I 1994 Surface corrugation in the dissociative adsorption of H2 on Cu(100) Phys. Rev. Lett. 73 1404
64. Hammer B, Scheffler M, Jacobsen K W and Norskov J K 1994 Multidimensional potential energy surface for H2 dissociation over Cu(111) Phys. Rev. Lett. 73 1400
65. Darling G R and Holloway S 1994 The role of parallel momentum in the dissociative adsorption of H2 at highly corrugated surfaces Surf. Sci. 304 L461
66. McCormack D A and Kroes G J 1999 A classical study of rotational effects in dissociation of H2 on Cu(100) Phys. Chem. Chem. Phys. 1 1359
67. White J A, Bird D M and Payne M C 1995 Dissociation of H2 on W(100) Phys. Rev. B 53 1667
68. Gro B A, Wilke S and Scheffler M 1995 6-dimensional quantum dynamics of adsorption and desorption of H2 at Pd(100)-steering and steric effects Phys. Rev. Lett. 75 2718
69. Kay M, Darling G R, Holloway S, White J A and Bird D M 1995 Steering effects in non-activated adsorption Chem. Phys. Lett. 245 311
70. Butler D A, Hay den B E and Jones J D 1994 Precursor dynamics in dissociative hydrogen adsorption on W(100) Chem. Phys. Lett. 111 423
71. Butler D A and Hayden B E 1995 The indirect channel to hydrogen dissociation on W(100)c(2 x 2)Cu-evidence for a dynamical precursor Chem. Phys. Lett. 232 542
72. Hand M R and Harris J 1990 Recoil effects in surface dissociation J. Chem. Phys. 92 7610
73. Guo X-C, Bradley J M, Hopkinson A and King DA 1994 O2 interaction with Pt{100}-hexR0.7°-scattering, sticking and saturating Surf. Sci. 310 163
74. Luntz A C and Harris J 1991 CH4 dissociation on metals-a quantum dynamics model Surf. Sci. 258 397
75. Walker A V and King D A 1999 Dynamics of the dissociative adsorption of methans on Pt(110)-(1 x 2) Phys. Rev. Lett. 82 5156
76. Rettner C T, Schweizer E K and Stein H 1990 Dynamics of chemisorption of N2 on W(100): Precursor-mediated and activated dissociation J. Chem. Phys. 93 1442
77. Rettner C T and Mullins C B 1991 Dynamics of the chemisorption of 0 2 on Pt(111): Dissociation via direct population of a molecularly chemisorbed precursor at high incidence kinetic energy J. Chem. Phys. 94 1626
78. Rettner C T and Stein H 1987 Effect of the translational energy on the chemisorption of N2 on Fe(111): Activated dissociation via a precursor state Phys. Rev. Lett. 59 2768
79. Rettner C T and Stein H 1987 Effect of the vibrational energy on the dissociative chemisorption of N2 on Fe(111) J. Chem. Phys. 87 770
80. Luntz A C and Harris J 1992 The role of tunneling in precursor mediated dissociation: Alkanes on metal surfaces J. Chem. Phys. 96 7054
81. Elkowitz A B, McCreery J H and Wolken G 1976 Dynamics of atom-adsorbed atom collisions: Hydrogen on tungsten Chem. Phys. 17 423
82. Tully J C 1980 Dynamics of gas-surface interactions: Reactions of atomic oxygen with adsorbed carbon on platinum J. Chem. Phys. 73 6333
83. Weinberg W H 1991 Kinetics of surface reactions Dynamics of Gas-Surface Interactions ed C T Rettner and M N R Ashfold (London: Royal Society of Chemistry)
84. Kuipers E W, Vardi A, Danon A and Amirav A 1991 Surface-molecule proton transfer-a demonstration of the Eley-Ridel mechanism Phys. Rev. Lett. 66 116
85. Rettner C T 1992 Dynamics of the direct reaction of hydrogen atoms adsorbed on Cu(111) with hydrogen atoms incident from the gas phase Phys. Rev. Lett. 69 383
86. Lykke K R and Kay B D 1990 State-to-state inelastic and reactive molecular beam scattering from surfaces Laser Photoionization and Desorption Surface Analysis Techniques vol 1208, ed N S Nogar (Bellingham, WA: SPIE) p 1218
87. Rettner C T and Auerbach D J 1994 Distinguishing the direct and indirect products of a gas-surface reaction Science 263 365
88. Rettner C T 1994 Reaction of an H-atom beam with Cl/Au(III)-dynamics of concurrent Eley-Rideal and Langmuir-Hinshelwood mechanisms J. Chem. Phys. 101 1529
89. Rettner C T and Auerbach D J 1996 Quantum-state distributions for the HD product of the direct reaction of H(D)/Cu(111) with D(H) incident from the gas phase J. Chem. Phys. 104 2732
90. Shalashilin D V, Jackson B and Persson M 1999 Eley-Rideal and hot atom reactions of H(D) atoms with D(H)-covered Cu(111) surfaces; quasiclassical studies J. Chem. Phys. 110 11 038
91. Xi M and Bent B E 1992 Evidence for an Eley-Rideal mechanism in the addition of hydrogen atoms to unsaturated hydrocarbons on Cu(111) J. Vac. Sci. Technol. B 10 2440
92. Xi M and Bent B E 1993 Reaction of deuterium atoms with cyclohexane on Cu(111)-hydrogen abstraction reactions by Eley-Rideal mechanisms J. Phys. Chem. 97 4167
93. Xie J, Mitchell W J, Lyons K J and Weinberg W H 1994 Atomic hydrogen induced decomposition of chemisorbed formate at 100 K on the Ru(001) surface J. Chem. Phys. 101 9195
94. Dai E H L and Ho W 1995 Laser Spectroscopy and Photochemistry at Metal Surfaces (Singapore: World Scientific)
95. Polanyi J C and Rieley H 1991 Photochemistry in the adsorbed state Dynamics of Gas-Surface Interactions ed C T Rettner and M N R Ashfold (London: Royal Society of Chemistry) p 329
96. Hasselbrink E 1994 State-resolved probes of molecular desorption dynamics induced by short-lived electronic excitations Laser Spectroscopy and Photochemistry at Metal Surfaces ed E H L Dai and W Ho (Hong Kong: World Scientific) p 685
97. Ho W 1994 Surface photochemistry Surf. Sci. 299/300 996
98. Cavanagh R R, King D S, Stephenson J C and Heinz T F 1993 Dynamics of nonthermal reactions-femtosecond surface chemistry J. Phys. Chem. 97 786
99. Bonn M, Funk S, Hess C, Denzler D N, Stampfl C, Scheffler M, Wolf M and Ertl G 1999 Phonon versus electron-mediated desorption and oxidation of CO on Ru(001) Science 285 1042
100. Michelsen H A, Rettner C T, Auerbach D J and Zare R N 1993 Effect of rotation on the translational and vibrational energy dependence of the dissociative adsorption of D2 on Cu(111) J. Chem. Phys. 98 8294
101. Rettner C T, DeLouise L A and Auerbach D J 1986 Effect of incidence kinetic energy and surface coverage on the dissociative chemisorption of oxygen on W(110) J. Chem. Phys. 85 1131
102. Darling G R, Kay M and Holloway S 1998 The steering of molecules in simple dissociation reactions Surf. Sci. 400 314