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Atomistic Study of the Clean and Hydroxylated TiO2 Surface

Published online by Cambridge University Press:  15 February 2011

R. Podloucky ,
S. G. Steinemann  and
A. J. Freeman
R. Podloucky
Affiliation:
Inst. f. Physical Chemistry, Univ. Vienna, Währingerstrasse 42, A-1090 Vienna, Austria
S. G. Steinemann
Affiliation:
Inst. f. Experimental Physics, Univ. Lausanne, CH-1015 Lausanne-Dorigny, Switzerland
A. J. Freeman
Affiliation:
Dept. of Physics, Northwestern Univ., Evanston, IL 60208-3112, USA
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Abstract

The coverage of an oxidized Ti-surface by amphoteric OH groups seems to be the driving mechanism for the attachement of bone material to Ti-implants. To contribute to the quantitative and fundamental understanding of this phenomenon, an ab-inito surface method was applied to calculate the electronic structure and energetics of the clean and hydroxylated (110) TiO2 rutile surface. Some of the most important relaxation and reconstruction effects of surface geometries were derived from total energy minimization.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 252: Symposium T – Tissue-Inducing Biomaterials , 1991 , 43
Copyright
Copyright © Materials Research Society 1992

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References

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