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    Electronic structures of aluminum and aluminum clusters doped with other atoms


    Brennan, Shane J. and Breslin, Carmel B. and Quin, Charles M. (1997) Electronic structures of aluminum and aluminum clusters doped with other atoms. Journal of the Electrochemical Society, 144 (8). L217-L218. ISSN 0013-4651

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    Abstract

    Electronic structure calculations have been carried out for various model AlnX clusters with X and atom of an element known, or likely, to give rise to changes in the corrosion resistance of AlX alloys. The calculations involved the use of a novel orthogonal outer-sphere MSXα technique and results for the partial densities of states for the clusters Al50, Al49, Al49Zn, Al49Cr, Al49T1, and Al49Ta are consistent with the hypothesis that activation of aluminum is to be expected for dopant atoms with filled orbitals, giving rise to Friedel states at the surface, while passivation is to be expected when the d-band density is distributed about the cluster Fermi level.

    Item Type: Article
    Keywords: aluminium alloys; doping; corrosion resistance; corrosion testing; oxide coated cathodes; electronic structure;
    Academic Unit: Faculty of Science and Engineering > Chemistry
    Item ID: 7954
    Identification Number: https://doi.org/10.1149/1.1837861
    Depositing User: Dr. Carmel Breslin
    Date Deposited: 22 Feb 2017 15:20
    Journal or Publication Title: Journal of the Electrochemical Society
    Publisher: Electrochemical Society
    Refereed: Yes
    URI:

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