Abstract
Within the broad class of metal-hydrogen systems, clusters are of particular importance. Their high surface to volume ratio makes them ideal candidates for catalytic applications. Surface and bulk studies have shown that transport and vibrational spectroscopy of hydrogen are very sensitive to substrate structure. The wide variety of geometries exhibited by clusters offers a noteworthy opportunity to examine the effect of substrate geometry on hydrogen. Further, hydrogen’s small mass and uniquely large isotopic variation gives rise to a number of intrinsically quantum mechanical effects. For example, inverse isotope effects have been observed for hydrogen chemisorption on palladium clusters. Comparing classical and quantum mechanical Monte Carlo methods, the effects of quantum mechanics on cluster structure, population distribution, vibrational spectra, and rates for hydrogen motion are discussed for a single hydrogen on nickel and palladium clusters.
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References
P. Fayet, A. Kaldor, and D. M. Cox, J. Chem. Phys. 92, 254 (1990).
J. Völkl and G. Alefeld. Diffusion in Solids: Recent Developments, edited by A. S. Nowick and J. J. Burton (Academic Press, New York, 1975), chapter 5.
S. W. Rick, D. L. Lynch, and J. D. Doll, J. Chem. Phys. 99, 8183 (1993).
B. Chen, M. A. Gomez, M. Sehl, J. D. Doll, and D. L. Freeman, J. Chem. Phys. 105, 9686 (1996).
M. S. Daw, and M. I. Baskes, Phys. Rev. B 29, 6443 (1984).
D. L. Lynch, S. W. Rick, M. A. Gomez, B. W. Spath, J. D. Doll, and L. R. Pratt, J. Chem. Phys. 97 5177 (1992).
S. W. Rick, and J. D. Doll, Surface Science Letters. 302, L305 (1994).
B. M. Rice, B. C. Garrett, M. L. Koszykowski, S. M. Foiles, and M. S. Daw, J. Chem. Phys. 92, 775 (1990).
S. E. Wonchoba, and D. G. Truhlar, Phys. Rev. B 53, 11222 (1996).
A. F. Voter and S. P. Chen, Mater. Res. Soc. Symp. Proc. 82, 175 (1987)
J. Jellinek, in Metal-Ligand Interactions: Structure and Reactivity, edited by N. Russo and D. R. Salahub. (Kluwer Academic Publishers, Dordrecht, 1996), p. 325; J. Jellinek and Z. B. Guvenc, in The Synergy Between Dynamics and Reactivity at Clusters and Surfaces edited by L. J. Farrugia (Kluwer Academic Publishers, Dordrecht, 1995), p. 217; M. J. López and J. Jellinek, Phys. Rev. A 50, 1445 (1994); J. Jellinek and Z. B. Guvenc, Z. Phys. D. 26, 110 (1993).
M. S. Stave and A. E. DePristo, J. Chem. Phys 97, 3386 (1992); R. Fournier, M. S. Stave, and A. E. DePristo, J. Chem. Phys. 96, 1530 (1992).
E. Curotto, A. Matro, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 108, 729 (1998).
H. Gronbeck, D. Tomanek, S. G. Kim, and A. Rosen, Zeitschrift Für Physik D 40, 469 (1997)
M. W. Lee, R. J. Wolf, and J. R. Ray, J. Alloys Compd. 231, 343 (1995); R. J. Wolf, M. W. Lee, and J. R. Ray, Phys. Rev. Lett. 73, 557 (1994); R. J. Wolf, M. W. Lee, and R. C. Davis, Phys. Rev. B. 48, 12415 (1993); R. J. Wolf, M. W. Lee, and J. R. Ray, Phys. Rev. B. 46, 8027 (1992).
L. Lian, C.-X. Su, and P. B. Armentrout, J. Chem. Phys. 96, 7542 (1992).
D. G. Vlachos, L. D. Schmidt, and R. Aris, J. Chem. Phys. 96, 6880 (1992).
E. K. Parks, L. Zhu, J. Ho, and S. J. Riley, J. Chem. Phys. 100 7206 (1994).
W. H. Press, S. A. Teukolsky, W. T. Vetterling, B. P. Flannery. Numerical Recip-ies in FORTRAN. The Art of Scientific Computing. Second Edition (Cambridge University Press, Cambridge, 1992).
A. B. Finnila, M. A. Gomez, C. Sebenik, C. Stenson, and J. D. Doll, Chem. Phys. Lett. 219, 343 (1994).
Hydrogen in Metals I & II, edited by G. Alefeld and J. Völkl (Springer-Verlag, Berlin, 1978).
K. J. Maynard, A. D. Johnson, S. P. Daley, and S. T. Ceyer, Faraday Discuss. Chem. Soc. 91, 437 (1991).
F. G. Amar and R. S. Berry, J. Chem. Phys. 85, 5943 (1986).
S. W. Rick, D. L. Leitner, J. D. Doll, D. L. Freeman, and D. D. Frantz, J. Chem. Phys. 95, 6658 (1991).
J. D. Doll, D. L. Freeman, and T. L. Beck, Advances in Chemical Physics 78, 61 (1990).
D. D. Frantz, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 93, 2769 (1990).
J. E. Gubernatis, M. Jarrell, R. N. Silver, and D. S. Sivia, Phys. Rev. B. 44, 6011 (1991).
G. A. Voth, D. Chandler, and W. H Miller, J. Chem Phys. 91, 7749 (1989).
A. F. Voter, J. Chem. Phys. 82, 1890 (1985).
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Gomez, M.A., Chen, B., Freeman, D.L., Doll, J.D. (1999). Quantum Mechanics of Hydrogen on Nickel and Palladium Clusters. In: Jellinek, J. (eds) Theory of Atomic and Molecular Clusters. Springer Series in Cluster Physics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-58389-6_13
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DOI: https://doi.org/10.1007/978-3-642-58389-6_13
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