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Thin Film Growth Related Adsorption Study of Al and O Ions on an -Al2O3 Surface
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
2004 (English)In: J. Phys. Chem. B, Vol. 108, 19320-19324 p.Article in journal (Refereed) Published
Abstract [en]

The surface reactivity of -Al2O3 (0001) has been investigated theoretically using density functional theory. The adsorption process of Al+, Al2+, Al3+, and O+ were studied to identify possible preferential adsorption sites during thin film growth. Differences in near surface atomic displacements (e.g., adsorption-induced surface reconstructions), energies, and bonding character have been evaluated. The adsorption energies for the metallic ions showed a strong dependence on both initial charge and adsorption site. The O+ ions showed no site dependence, but adsorption energies similar to those calculated for Al+. The results indicate that the adsorption of O+ and Al3+ may favor the formation of an amorphous structure, which is consistent with experimental observations. The results are of fundamental importance for the understanding of thin film microstructure evolution.

Place, publisher, year, edition, pages
2004. Vol. 108, 19320-19324 p.
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Inorganic Chemistry
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URN: urn:nbn:se:uu:diva-69796DOI: doi:10.1021/jp048225+OAI: oai:DiVA.org:uu-69796DiVA: diva2:97707
Available from: 2006-03-21 Created: 2006-03-21 Last updated: 2011-01-12

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Larsson, Karin

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