Advertisement

Molecular orientation dependence of ortho-para H2 conversion on Fe(OH)3 cluster induced by hyperfine contact interaction

  • R. Muhida
  • M. David
  • M. M. Rahman
  • W. A. Diño
  • H. Nakanishi
  • H. Kasai
  • K. Fukutani
  • T. Okano
Gas-Surface Interactions

Abstract.

We investigate the molecular orientation dependence of the (o)rtho-(p)ara H2 conversion on Fe(OH)3 cluster. Taking Fermi's contact interaction as perturbation, we find that the o-p H2 conversion yield for the molecular orientation angle θ= 10 with respect to the surface normal is larger than that for θ= 70.

PACS.

31.70.Hq Time-dependent phenomena: excitation and relaxation processes, and reaction rates 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. R.A. Buyanov, Kin. Kata. 1, 306 (1960) Google Scholar
  2. E. Ilisca, Prog. Surf. Sci. 41, 217 (1992) CrossRefGoogle Scholar
  3. http://www.cchem.com Google Scholar
  4. W.D. Birch, A. Pring, A. Reller, H.W. Schmalle, Am. Min. 78, 827 (1993) Google Scholar
  5. D.E. Janney, J.M. Cowley, P.R. Buseck, Am. Min. 85, 1180 (2000) Google Scholar
  6. B. Lo, T.D. Waite, J. Coll. Interf. Sci. 222, 83 (2000) CrossRefGoogle Scholar
  7. R. Muhida, W.A. Diño, A. Fukui, H. Kasai, H. Nakanishi, A. Okiji, K. Fukutani, T. Okano, Surf. Sci. 493, 285 (2001) CrossRefGoogle Scholar
  8. R. Muhida, W.A. Diño, A. Fukui, Y. Miura, H. Kasai, H. Nakanishi, A. Okiji, K. Fukutani, T. Okano, J. Phys. Soc. Jpn. 70, 3654 (2001) CrossRefGoogle Scholar
  9. R. Muhida, Y. Miura, W.A. Diño, H. Kasai, H. Nakanishi, A. Okiji, K. Fukutani, T. Okano, J. Appl. Phys. 93, 644 (2003) CrossRefADSGoogle Scholar
  10. R. Muhida, W.A. Diño, Y. Miura, H. Kasai, H. Nakanishi, A. Okiji, K. Fukutani, T. Okano, J. Vac. Soc. Jpn 45, 448 (2002) Google Scholar
  11. H. Kasai, W.A. Diño, R. Muhida, Prog. Surf. Sci. 72, 53 (2003) CrossRefGoogle Scholar
  12. M.J. Frisch et al., Gaussian 98, Revision A.11.3, Gaussian, Inc., Pittsburgh PA, 2002 Google Scholar
  13. W. Kohn, L.J. Sham, Phys. Rev. 140, 1133 (1965) CrossRefADSMathSciNetGoogle Scholar
  14. A.D. Becke, J. Chem. Phys. 98, 1372 (1993); A.D. Becke, J. Chem. Phys. 98, 5648 (1993) CrossRefADSGoogle Scholar
  15. J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992) CrossRefADSGoogle Scholar
  16. T.H. Dunning Jr. P.J. Hay, Modern Theoretical Chemistry, edited by H.F. Schaefer III (Plenum, New York, 1976), Vol. 3 Google Scholar
  17. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 270 (1985); P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 284 (1985); P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 299 (1985) CrossRefADSGoogle Scholar
  18. http://www.chem.ox.ac.uk/InorganicChemistry3/ Google Scholar
  19. http://www.ccl.net/cca/documents/dyoung/ topics-orig/spin_cont.html. Google Scholar
  20. R. Muhida, A. Susanto, Md. M. Rahman, W.A. Diño, H. Kasai, H. Nakanishi, J. Vac. Soc. Jpn 48, 448 (2005) Google Scholar

Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Authors and Affiliations

  • R. Muhida
    • 1
  • M. David
    • 1
  • M. M. Rahman
    • 1
  • W. A. Diño
    • 2
    • 3
    • 4
  • H. Nakanishi
    • 1
  • H. Kasai
    • 1
  • K. Fukutani
    • 5
  • T. Okano
    • 5
  1. 1.Department of Precision Science & Technology and Applied PhysicsOsaka UniversityOsakaJapan
  2. 2.Center for the Promotion of Research on Nanoscience and Nanotechnology, ToyonakaOsakaJapan
  3. 3.Physics DepartmentDe La Salle UniversityManilaPhilippines
  4. 4.Department of PhysicsOsaka UniversityOsakaJapan
  5. 5.Institute of Industrial Science, The University of TokyoTokyoJapan

Personalised recommendations