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Photo Petter Persson

Petter Persson

Senior lecturer

Photo Petter Persson

The Smallest Possible Nanocrystals of Semiionic Oxides

Author

  • Petter Persson
  • J. C. M. Gebhardt
  • S. Lunell

Summary, in English

General bonding principles are used to predict the structure of individual nanocrystals in nanocrystalline materials with semiionic bonding. The relationship between the general principles and actual nanocrystal structures is demonstrated using titanium dioxide in the anatase form. The proposed nanocrystals simultaneously fulfill strict criteria of stoichiometry, high coordination, and balanced charge distribution. The smallest such nanocrystals are remarkably simple, e.g., consisting of less than 100 atoms in anatase. According to computer simulations, these nanocrystals show strong quantum size effects, while other clusters of similar size instead show typical defect characteristics.

Publishing year

2003

Language

English

Pages

3336-3339

Publication/Series

Journal of Chemical Physics

Volume

107

Issue

15

Document type

Journal article

Publisher

American Institute of Physics (AIP)

Topic

  • Atom and Molecular Physics and Optics

Status

Published

ISBN/ISSN/Other

  • ISSN: 0021-9606