Abstract
Transition metals exhibit interesting and technically useful chemical interactions both among themselves and with other atoms. Their high strength and corrosion resistance makes them essential structural materials, and their chemical reactivity and selectivity give them a central role as catalytic promoters of reactions. These special properties are popularly associated with the presence of a semilocalized, partially occupied nd electronic configuration. However, the nature of the metal-metal bond, and the precise character of electronic interactions associated with cohesion and bonding in the transition metals (TM) has not yet been fully elucidated. In particular, the properties of TM surfaces and small particles (which are essentially all surface) are at present very poorly understood. There are, of course, large scale experimental and theoretical efforts underway to understand and control electronic properties of these materials.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
E.J. Baerends, D.E. Ellis and P. Ros, Chem. Phys. 2:41 (1973).
A. Rosen, D.E. Ellis, H. Adachi and F.W. Averill, J. Chem. Phys. 65: 3629 (1976).
B. Delley and D.E. Ellis, J. Chem. Phys. 76:1949 (1982).
D.E. Ellis and B. Delley, “Local Density Approximations” in “Quantum Chemistry and Solid State Physics”, ed. by J.P. Dahl and J. Avery Plenum, NY (1984).
B. Delley, D.E. Ellis, A.J. Freeman, E.J. Baerends, and D. Post, Phys. Rev. B27:2132 (1983).
M.M. Goodgame and W.A. Goddard, III, Phys. Rev. Lett. 48:135 (1982).
J. Harris and R.O. Jones, J. Chem. Phys. 70:830 (1979).
P. Joyes and M. Leleyter, J. Phys. B6.–150 (1973).
M.F. Guest, I.H. Hillier, and C.P. Garner, Chem. Phys. Lett. 48:587 (1977).
B. Delley, A.J. Freeman, and D.E. Ellis, Phys. Rev. Lett. 50:488 (1983).
S.K. Gupta, B.M. Nappi, and K.A. Gingerich, Ame. Chem. Soc. Inorg. Chem. 22:996 (1981).
M.S. Daw and M.I. Baskes, Phys. Rev. B29:6443 (1984).
D.E. Ellis and H.P. Cheng, manuscript in preparation.
B. Delley, M.C. Manning, D.E. Ellis, J. Berkowitz, and W.C. Trogler, Inorg. Chem. 21:2247 (1982).
G.F. Holland, D.E. Ellis, and W.C. Trogler, J. Chem. Phys. 83:3504 (1985).
G.F. Holland, D.E. Ellis, and W.C. Trogler, J. Am. Chem. Soc. 108:1884 (1986).
A. Rosen and D.E. Ellis, J. Chem. Phys. 62:3039 (1975);
D.E. Ellis, J. Phys. B10:1 (1977);
D.E. Ellis, in Actinides in Perspective, ed. by N.M. Edelstein, Pergamon, NY (1982)
D.E. Ellis and G.L. Goodman, Intl. J. Quantum Chem. 25:185 (1984);
D.E. Ellis in Handbook on the Physics and Chemistry of the Actinides, ed. by A.J. Freeman and G.H. Lander, North Holland, Amsterdam (1985).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1987 Plenum Press, New York
About this chapter
Cite this chapter
Ellis, D.E., Cheng, H.P., Holland, G.F. (1987). Local Density Models for Bare and Ligated Transition Metal Clusters. In: Jena, P., Rao, B.K., Khanna, S.N. (eds) Physics and Chemistry of Small Clusters. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0357-3_117
Download citation
DOI: https://doi.org/10.1007/978-1-4757-0357-3_117
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4757-0359-7
Online ISBN: 978-1-4757-0357-3
eBook Packages: Springer Book Archive