Skip to main content
SpringerLink
Log in

Dynamics of H2 Interacting with Substitutional Bimetallic Surface Alloys

  • Chapter
  • First Online:
Dynamics of Gas-Surface Interactions

Part of the book series: Springer Series in Surface Sciences ((SSSUR,volume 50))

  • 1935 Accesses

Abstract

We review recent theoretical work focused on H2 reactive adsorption dynamics on substitutional surface alloys obtained by evaporating sub-monolayer amounts of Pd on Cu(111) and Cu on W(100). Reactive dissociative adsorption probabilities as a function of the molecular impact energy as well as the angular distribution of unreactive scattered molecules are analyzed and connected with the most relevant mechanisms observed: direct and dynamic trapping.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Notes

  1. 1.

    For a discussion about the known particular cases in which semilocal DFT-GGA methods fail see e.g. [35] and references therein.

References

  1. G.A. Attard, D.A. King, Surf. Sci. 188, 589 (1987)

    Article  ADS  Google Scholar 

  2. D.A. Butler, B.E. Hayden, Surf. Sci. 337, 67–78 (1995)

    Article  ADS  Google Scholar 

  3. M. Beutl, J. Lesnik, K.D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, J. Hafner, Chem. Phys. Lett. 342, 473 (2001)

    Article  ADS  Google Scholar 

  4. R. Otero, F. Calleja, V.M. García-Suárez, J.J. Hinarejos, J. de la Figuera, J. Ferrer, A.L. Vázquez de Parga, R. Miranda, Surf. Sci. 550(1–3), 65–72 (2004)

    Article  ADS  Google Scholar 

  5. J. Libuda, H. Freund, Surf. Sci. Rep. 57(7–8), 157–298 (2005)

    Article  ADS  Google Scholar 

  6. M. Wilde, K. Fukutani, W. Ludwig, B. Brandt, J-H. Fischer, S. Schauermann, H.-J. Freund, Angw. Chem. Int. 47(48), 9289–9293 (2008)

    Google Scholar 

  7. H.L. Tierney, A.E. Baber, J.R. Kitchin, E.C.H. Sykes, Phys. Rev. Lett. 103(24), 1–4 (2009)

    Article  Google Scholar 

  8. A.E. Baber, H.L. Tierney, T.J. Lawton, E.C.H. Sykes, Chem. Cat. Chem. 3(3), 607–614 (2011)

    Google Scholar 

  9. J.A. Rodriguez, Surf. Sci. Rep. 24(78), 223–287 (1996)

    Article  ADS  Google Scholar 

  10. S. Sakong, A. Groß, Surf. Sci. 525(1–3), 107–118 (2003)

    Article  ADS  Google Scholar 

  11. J. Greeley, M. Mavrikakis, Nat. Mater. 3(11), 810–5 (2004)

    Article  ADS  Google Scholar 

  12. J. Chen, C. Menning, M. Zellner, Surf. Sci. Rep. 63(5), 201–254 (2008)

    Article  ADS  Google Scholar 

  13. M.F. Bertino, D. Farías, J. Phys. Condens. Matter. 14, 6037 (2002)

    Article  ADS  Google Scholar 

  14. D. Farías, R. Miranda, Prog. Surf. Sci. 86(910), 222–254 (2011)

    Article  ADS  Google Scholar 

  15. P. Alnot, A. Cassuto, D.A. King, Surf. Sci. 215, 29 (1989)

    Article  ADS  Google Scholar 

  16. C.T. Rettner, H.A. Michelsen, D.J. Auerbach, J. Chem. Phys. 102, 4625 (1994)

    Article  ADS  Google Scholar 

  17. H.A. Michelsen, C.T. Rettner, D.J. Auerbach, Surface Reactions, Springer Series in Surface Science, vol. 34, ed. by R.J. Madix (Springer, Berlin, 1994), p. 185

    Google Scholar 

  18. G.O. Sitz, Rep. Prog. Phys. 65, 1165–1193 (2002)

    Article  ADS  Google Scholar 

  19. G. Comsa, R. David, Surf. Sci. Rep. 5, 145 (1985)

    Article  ADS  Google Scholar 

  20. H. Hou, S.J. Gulding, C.T. Rettner, A.M. Wodtke, D.J. Auerbach, Science 277, 80 (1997)

    Article  Google Scholar 

  21. A. Hodgson, Prog. Surf. Sci. 63, 1 (2000)

    Article  ADS  Google Scholar 

  22. M. Born, R. Oppenheimer, Zur quantentheorie der molekeln. Annalen der Physik 389(20), 457–484 (1927)

    Article  ADS  Google Scholar 

  23. O.M. Løvvik, R.A. Olsen, J. Chem. Phys. 118(7), 3268 (2003)

    Article  ADS  Google Scholar 

  24. A. Roudgar, A. Groß, Surf. Sci. 597(1–3), 42–50 (2005)

    Article  ADS  Google Scholar 

  25. P. Rivière, H.F. Busnengo, F. Martín, J. Chem. Phys. 121, 751 (2004)

    Article  ADS  Google Scholar 

  26. M.N. Batista, H.F. Busnengo, A.E. Martínez, Phys. Chem. Chem. Phys. 13(10), 4614–4624 (2011)

    Article  Google Scholar 

  27. J.C. Chen, M. Ramos, C. Arasa, J.C. Juanes-Marcos, M.F. Somers, A.E. Martínez, C. Díaz, R.A. Olsen, G.J. Kroes, Phys. Chem. Chem. Phys. 14, 3234–3247 (2012)

    Article  Google Scholar 

  28. A. Groß, Surf. Sci. Rep. 32, 291 (1998)

    Article  ADS  Google Scholar 

  29. G.J. Kroes, Prog. Surf. Sci. 60, 1 (1999)

    Article  ADS  Google Scholar 

  30. G.J. Kroes, M.F. Somers, J. Theor. Comp. Chem. 4, 493 (2005)

    Article  Google Scholar 

  31. H.F. Busnengo, C. Díaz, P. Rivière, M.A. Di Césare, F. Martín, W. Dong, A. Salin, Proceedings of the XXIV International Conference on Photonic, Electronic and Atomic Collisions, (World Scientific Publishing, Singapore, 2006)

    Google Scholar 

  32. G.J. Kroes, Science 321, 794 (2008)

    Article  ADS  Google Scholar 

  33. A.E. Martínez, W. Dong, H.F. Busnengo, Appl. Surf. Sci. 254, 82 (2007)

    Article  ADS  Google Scholar 

  34. M. Ramos, A.E. Martínez, H.F. Busnengo, Phys. Chem. Chem. Phys. 14(1), 303–10 (2012)

    Article  Google Scholar 

  35. L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, G. Kresse, Nat. Mater. 9(9), 741–744 (2010)

    Article  ADS  Google Scholar 

  36. T. Bligaard, J.K. Nørskov, Chemical Bonding at Surfaces and Interfaces (Elsevier, Amsterdam, 2008)

    Google Scholar 

  37. A. Bach Aaen, Surf. Sci. 408(1–3), 43–56 (1998)

    Article  ADS  Google Scholar 

  38. H.L. Tierney, A.E. Baber, E.C.H. Sykes, J. Phys. Chem. C 113, 7246–7250 (2009)

    Google Scholar 

  39. E. Bauer H. Poppa G. Todd, F. Bonczek, J. App. Phys. 45, 5164 (1974)

    Article  ADS  Google Scholar 

  40. D.A. Butler, B.E. Hayden, Surf. Sci. 342(1–3), 21–28 (1995)

    Article  ADS  Google Scholar 

  41. D.A. Butler, B.E. Hayden, Chem. Phys. Lett. 232(5–6), 542–546 (1995)

    Article  ADS  Google Scholar 

  42. H.F. Busnengo, W. Dong, A. Salin, Phys. Rev. Lett. 93, 236103 (2004)

    Article  ADS  Google Scholar 

  43. G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993)

    Article  ADS  Google Scholar 

  44. G. Kresse, J. Hafner, Phys. Rev. B 49, 14251 (1994)

    Article  ADS  Google Scholar 

  45. G. Kresse, J. Hafner, J. Phys. Condens. Matt. 6, 8245 (1994)

    Article  ADS  Google Scholar 

  46. G. Kresse, J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996)

    Article  Google Scholar 

  47. G. Kresse, J. Furthmüller, Phys. Rev. B 54, 11169 (1996)

    Article  ADS  Google Scholar 

  48. G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999)

    Article  ADS  Google Scholar 

  49. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990)

    Article  ADS  Google Scholar 

  50. P.E. Blöchl, Phys. Rev. B 50, 17953 (1994)

    Article  ADS  Google Scholar 

  51. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  52. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997)

    Article  ADS  Google Scholar 

  53. J.P. Perdew, Electronic Structure of Solids ’91, ed. by P. Ziesche, H. Eschring (Akademie, Berlin, 1991)

    Google Scholar 

  54. J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992)

    Article  ADS  Google Scholar 

  55. J.P. Perdew, S. Kurth, Ale š Zupan, P. Blaha, Phys. Rev. Lett. 82, 2544–2547 (1999)

    Google Scholar 

  56. B. Hammer, L.B. Hansen, J.K. Nørskov, Phys. Rev. B 59, 7413 (1999)

    Article  ADS  Google Scholar 

  57. S. Kurth, J.P. Perdew, P. Blaha, Int. J. Quantum Chem. 75, 889–909 (1999)

    Article  Google Scholar 

  58. C. Adamo, M. Ernzerhof, G.E. Scuseria, J. Chem. Phys. 112(6), 2643–2649 (2000)

    Google Scholar 

  59. A.D. Rabuck, G.E. Scuseria, Theor. Chem. Acc. Theory Comput. Model. (Theoretica Chimica Acta). 104, 439–444 (2000). doi:10.1007/s002140000163

  60. M. Methfessel, A.T. Paxton, Phys. Rev. B 40, 3616 (1989)

    Article  ADS  Google Scholar 

  61. H.F. Busnengo, A. Salin, W. Dong, J. Chem. Phys. 112, 7641 (2000)

    Article  ADS  Google Scholar 

  62. E. Pijper, M.F. Somers, G.J. Kroes, R.A. Olsen, E.J. Baerends, H.F. Busnengo, A. Salin, D. Lemoine, Chem. Phys. Lett. 347, 277 (2001)

    Article  ADS  Google Scholar 

  63. H.F. Busnengo, E. Pijper, M.F. Somers, G.J. Kroes, A. Salin, R.A. Olsen, D. Lemoine, W. Dong, Chem. Phys. Lett. 356, 515 (2002)

    Article  ADS  Google Scholar 

  64. H.F. Busnengo, E. Pijper, G.J. Kroes, A. Salin, J. Chem. Phys. 119, 12553 (2003)

    Article  ADS  Google Scholar 

  65. M.F. Somers, R.A. Olsen, H.F. Busnengo, E.J. Baerends, G.J. Kroes, J. Chem. Phys. 121(22), 11379–11387 (2004)

    Google Scholar 

  66. J.K. Vincent, R.A. Olsen, G.J. Kroes, M. Luppi, E.J. Baerends, J. Chem. Phys. 122, 044701 (2005)

    Article  ADS  Google Scholar 

  67. P. Rivière, M.F. Somers, G.J. Kroes, F. Martín, Phys. Rev. B 73, 205417 (2006)

    Article  ADS  Google Scholar 

  68. G.J. Kroes, E. Pijper, A. Salin, J. Chem. Phys. 127, 164722 (2007)

    Article  ADS  Google Scholar 

  69. C. Díaz, E. Pijper, R.A. Olsen, H.F. Busnengo, D. Auerbach, G.J. Kroes, Science 326, 832 (2009)

    Article  ADS  Google Scholar 

  70. J.C. Chen, J.C. Juanes-Marcos, S. Woittequand, M.F. Somers, C. Diaz, R.A. Olsen, G.J. Kroes, J. Chem. Phys. 134(11), 114708 (2011)

    Article  ADS  Google Scholar 

  71. D.A. McCormack, G.J. Kroes, Chem. Phys. Lett. 296, 515 (1998)

    Article  ADS  Google Scholar 

  72. G. Stock, U. Müller, J. Chem. Phys. 111(1), 65–76 (1999)

    Google Scholar 

  73. H.F. Busnengo, C. Crespos, W. Dong, J.C. Rayez, A. Salin, J. Chem. Phys. 116, 9005 (2002)

    Article  ADS  Google Scholar 

  74. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1971)

    Google Scholar 

  75. H. Monkhorst, D. Pack, Phys. Rev. B 13, 5186 (1976)

    Article  MathSciNet  ADS  Google Scholar 

  76. B. Hammer, J.K. Nørskov. Nature 376, 238 (1995)

    Article  ADS  Google Scholar 

  77. P. Kratzer, B. Hammer, J.K. Nørskov, Surf. Sci. 359, 45 (1996)

    Article  ADS  Google Scholar 

  78. C. Díaz, J.K. Vincent, G.P. Krishnamohan, R.A. Olsen, G.J. Kroes, K. Honkala, J.K. Nørskov, Phys. Rev. Lett. 96, 096102 (2006)

    Article  ADS  Google Scholar 

  79. M. Alducin, R.M. A. Díez Muiño, H.F. Busnengo, A. Salin, Phys. Rev. Lett. 97, 056102 (2006)

    Article  ADS  Google Scholar 

  80. P. Rivière, H.F. Busnengo, F. Martín, J. Chem. Phys. 123, 074705 (2005)

    Article  ADS  Google Scholar 

  81. C. Díaz, R.A. Olsen, J. Chem. Phys. 130, 094706 (2009)

    Article  ADS  Google Scholar 

  82. A. Salin. J. Chem. Phys. 124, 104704 (2006)

    Article  ADS  Google Scholar 

  83. G.A. Bocan, R. Díez Muiño, M. Alducin, H.F. Busnengo, A. Salin, J. Chem. Phys. 128(15), 154704 (2008)

    Article  ADS  Google Scholar 

  84. W.P. Davey, Phys. Rev. 26, 736 (1925)

    Article  ADS  Google Scholar 

  85. G. Laurent, H.F. Busnengo, P. Rivière, F. Martín, Phys. Rev. B 77, 193408 (2008)

    Article  ADS  Google Scholar 

  86. D. Barredo, G. Laurent, C. Díaz, P. Nieto, H.F. Busnengo, A. Salin, D. Farías, F. Martín, J. Phys. Chem. B 125, 051101 (2006)

    Article  Google Scholar 

  87. M.A. Di Césare, H.F. Busnengo, W. Dong, A. Salin, J. Chem. Phys. 118, 11226 (2003)

    Article  ADS  Google Scholar 

  88. H.F. Busnengo, A.E. Martínez, J. Phys. Chem. C 112, 5579 (2008)

    Article  Google Scholar 

  89. D. Farías, H.F. Busnengo, F. Martín, J. Phys. Condens. Matter 19, 305003 (2007)

    Article  Google Scholar 

Download references

Acknowledgements

The authors acknowledge CONICET, ANPCyT and UNR for financial support. Part of the results presented in this work have been obtained by using the facilities of the CCT-Rosario Computational Center, member of the High Performance Computing National System (SNCAD, MincyT-Argentina).

Author information

Authors and Affiliations

  1. Instituto de Física Rosario (CONICET-UNR), Av. Pellegrini, 250 (2000), Rosario, Argentina

    Maximiliano Ramos, M. Natalia Batista, Alejandra E. Martínez & H. Fabio Busnengo

Authors
  1. Maximiliano Ramos
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. M. Natalia Batista
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Alejandra E. Martínez
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. H. Fabio Busnengo
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to H. Fabio Busnengo .

Editor information

Editors and Affiliations

  1. , Centro de Física de Materiales, CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, Donostia-San Sebastián, 20018, Spain

    Ricardo Díez Muiño

  2. , Instituto de Física Rosario, CONICET-UNR, 27 de Febrero 210, Rosario, 2000, Argentina

    Heriberto Fabio Busnengo

Rights and permissions

Reprints and permissions

Copyright information

© 2013 Springer-Verlag Berlin Heidelberg

About this chapter

Cite this chapter

Ramos, M., Batista, M.N., Martínez, A.E., Busnengo, H.F. (2013). Dynamics of H2 Interacting with Substitutional Bimetallic Surface Alloys. In: Díez Muiño, R., Busnengo, H. (eds) Dynamics of Gas-Surface Interactions. Springer Series in Surface Sciences, vol 50. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-32955-5_6

Download citation

Publish with us

Policies and ethics

Search

Navigation