Journal article
Particle size effects on the energies of bulk and surface F-centres
Transactions of the Faraday Society, Vol.67, pp.1193-1199
1971
Abstract
Calculations, using the point-ion lattice approximation, of the energies of F-centres in NaF and NaCl have been performed for small particles approximately 15–50 Å in edge length. Three-dimensional harmonic oscillator functions, which allow calculation of both bulk and surface centres, were used as the basis functions in a variational solution of the Schrödinger equation. Symmetry reduction leads directly to selection rules for the transitions in bulk and surface F-centres. The use of a screened potential for the nearest Na+ ions has negligible effect on the energies. The possible existence of surface F-centres is demonstrated and reasonable agreement of the transition energies with available spectral data is found. The effect of increasing particle size on the energies of the bulk and surface F-centres is negligible for particles larger than 25 Å.
Details
- Title
- Particle size effects on the energies of bulk and surface F-centres
- Authors/Creators
- R.St.C. Smart (Author/Creator)P.J. Jennings (Author/Creator)
- Publication Details
- Transactions of the Faraday Society, Vol.67, pp.1193-1199
- Publisher
- Royal Society of Chemistry
- Identifiers
- 991005545020207891
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Journal article
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