Abstract
Classical and quantum molecular-dynamics simulations are used to investigate a new class of cluster-catalyzed reactions induced via collisions between reactants embedded in clusters, and the energetics and dynamics of fission of doubly charged sodium clusters, exhibiting shell- closing effects, double-hump barriers, and a precursor fission mechanism.
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H.-P. Kaukonen, U. Landman and C. L. Cleveland, J. Chem. Phys. 95, 4997 (1991).
For other representative theoretical studies see (a) K. Raghavan, M. S. Stave, and A. E. DePristo, J. Chem. Phys. 91, 1904 (1989); (b) J. E. Adams, ibid. 92, 1849 (1990); (c) J. Jellinek and Z. B. Guvenc, Z. Phys. D 19, 371 (1991); (d) R. Schmidt, G. Seifert and H. O. Lutz, Phys. Lett. A 158, 231 (1991)
For representative experimental studies see (a) J. L. Elkind, F. D. Weiss, J. M. Alford, R. T. Laaksomen, and R. E. Smalley, J. Chem. Phys. 88, 5215 (1988); (b) W. D. Reents, Jr. and M. L. Mandich, J. Phys.Chem. 92, 2908 (1988); (c) W. F. Hoffman, E. K. Parks, and S. J. Riley, J. Chem. Phys. 90, 1526 (1989); (d) Y. M. Hamrick and M. D. Morse, J. Phys. Chem. 93, 6494 (1989); (e) S. K. Loh, L. Lian, and P. B. Armentrout, J. Chem. Phys. 91, 6148 (1989); (f) P. Fayet, A. Kaldor, and D. M. Cox, ibid. 92, 254 (1990); (g) K. M. Creegan and M. F. Jarrold, J. Am. Chem. Soc. 112, 3768 (1990); R. E. Leuchtner, A. C. Harms, and A. W. Castlemen, Jr., J. Chem. Phys. 92, 6527 (1990); 91, 2753 (1989).
R. N. Barnett, U. Landman and G. Rajagopal, Phys. Rev. Lett. 67, 3058 (1991); (b) R. N. Barnett, U. Landman, A. Nitzan and G. Rajagopal, J. Chem. Phys. 94, 608 (1991).
C. Brechignac, Ph. Cahuzac, F. Carlier and J. Leygnier, Phys. Rev. Lett. 63, 1368 (1989); (b) C. Brechignac, Ph. Cahuzac, F. Carlier and M. de Frutos, ibid. 64, 2893 (1990).
W. A. Saunders, Phys. Rev. Lett. 64, 3046 (1990); (b) W. A. Saunders, ibid. 66, 840 (1991).
Y. Ishii, S. Ohnishi and S. Sugano, Phys. Rev. B 33, 5271 (1986); (b) S. Sugano in Microclusters, edited by S. Sugano et al., (SpringerBerlin, 1987), p. 226; (c) S. Sugano, A. Tawara and Y. Ishii, Phys. D12, 213 (1989); (d) M. Nakamura, Y. Ishii, A. Tamura, and S. Sugano, Phys. Rev. A 42, 2267 (1990).
M. P. Iniguez, J. A. Alonso, M. A. Alloc, and L. C. Balbas, Phys. Rev. B 34, 2152 (1986); (b) M. P. Iniguez, J. A. Alonso, A. Rubio, M. J. Lopez and L. C. Balbas, ibid. B 41, 5595 (1990).
See review by W. A. de Heer et al., Solid State Phys. 40, 93 (1987), and references therein.
V. Bonačić-Koutecký, P. Fantucci, and J. Koutecký, Chem. Rev. (in press, 1991).
H. Gohlich, T. Lange, T. Bergmann and T. P. Martin, Phys. Rev. Lett. 65, 748 (1990); S. Bjonholm, J. Borggreen, 0. Echt, K. Hansen, J. Pedersen, and H. Rasmussen, Phys. Rev. Lett. 65, 1627 (1990).
See references (6–13) in Ref. 4(b).
See U. Landman, R. N. Barnett, R. Rajagopal and A. Nitzan, in Nuclear and Atomic Clusters 1991, Proceedings of a European Phys. Soc. Conf. Turku, Finland, edited by M. Brenner (Springer, Berlin, 1991).
M. R. Flannery, in Molecular Processes in Space, edited by T. Watanabe, I. Shimamura, M. Shimizu, and Y. Itikawa (Plenum, New York, 1990), p. 145.
M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University, London, 1954).
R. Ahlrichs, H. J. Bohm, S. Brode, K. T. Tang, and J. P. Toennies, J. Chem. Phys. 88, 6290 (1988).
G. Rajagopal, R. N. Barnett, and U. Landman, Phys. Rev. Lett. 67, 727 (1991); (b) R. N. Barnett and U. Landman (to be published).
For a discussion of shell corrections leading to double-hump nuclear fission barriers see M. A. Preston and R. K. Bhaduri, Structure of the Nucleus (Addison-Wesley, Reading, MA, 1975), p. 589. Shell effects on symmetric fragmentations of alkali-metal clusters have been studied using an approximate expression for the energy by M. Nakamura et al., see Ref. 7d. We remark that examination of the variations in the KS orbital energies, calculated along the dynamical fission trajectory of the cluster, indicates a correlation between these variations (in particular level crossings) and the shape of the barrier which is thus related to the energetics of the deformation of the cluster (R. N. Barnett and U. Landman, unpublished).
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Landman, U., Barnett, R.N., Cleveland,, C.L., Kaukonen, H.P., Rajagopal, G. (1992). Reactions and fission of clusters. In: Schmidt, R., Lutz, H.O., Dreizler, R. (eds) Nuclear Physics Concepts in the Study of Atomic Cluster Physics. Lecture Notes in Physics, vol 404. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-55625-7_17
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DOI: https://doi.org/10.1007/3-540-55625-7_17
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