An embedded atom method study of the equilibrium shapes of small platinum and palladium clusters
Tóm tắt
The embedded atom method (EAM) was used to determine the equilibrium shapes of small platinum and palladium clusters (N=5–60 atoms). The stability of various polyhedral symmetries was performed at 0K. A search for the presence of any other lower energy structures was also carried out. Pt clusters reconstructed to lower energy clusters even at the magic numbers. Pd also reconstructed to lower energy structures except at the magic number sizes where the icosahedron was found to be the most stable.
Tài liệu tham khảo
Hoare, M. R., Pal, P.; Adv. Chem. Phys.20, 161 (1971)
Hoare, M. R., Pal, P.; Adv. Chem. Phys.24, 645 (1975)
Yacaman, M. J., Heinemann, K., Yang, C.Y., Poppa, H., J. Cryst. Growth47, 187 (1979)
Howie, A., Marks, L.D.; Phil. Mag.;A49 95 (1984)
Marks, L. D., Smith, D. J.; J. Cryst. Growth54 425 (1981)
Penisson, J-M, Renou, A.; J. Cryst. Growth102 585 (1990)
Fuchs, G., Neiman, D., Poppa, H.; Langmuir7 2853 (1991)
Daw, M. S., Baskes, M. I.; Phys. Rev B.29, 6443 (1984)
Foiles, S. M..; Surf. Sci.191, L779 (1987).
Schwoebel, P. R., Foiles, S.M., Bisson, C.L., Kellogg, G.L.; Phys. Rev. B42, 9409 (1989)
Sachdev, A., Masel, R.I., Adams, J. B.; J. Catal.136, 320 (1992)
Bigot, B., Minot, C.; J. Am. Chem. Soc.106, 6601 (1984)
Fayet, P., Kaldor, A., Cox, D.M., J. Chem. Phys.92, 254 (1990).