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Zeitschrift für Kristallographie

International journal for structural, physical, and chemical aspects of crystalline materials

ISSN 0044-2968 www.zkristallogr.de

Zeitschrift für Kristallographie, 1997, Volume 212, Issue 08, p. 572
General Aspects

Horst P. Beck, T. Beyer

Lattice potentials as an instrument in crystal chemistry.
III.Applications to crystal surfaces

Some applications of surface potential and MAPSE (Madelung Part of Surface Energy) calculations are presented. MAPSE is a useful tool for the prediction of crystal morphologies and the terminating ion layer in crystal, surfaces. The surface specific part of a lattice potential called epi-potential can be used to analyse the range of surface effects and to study the potential topology in epi-potential maps. These maps of crystal surfaces show the positions of the next one or two missing ion layers above the surface as active centres for reactions and adsorption phenomena.
We present here calculations for NaCl, CaF₂ and some members of the PbFCl and the PbCl₂ structure family.

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Zeitschrift für Kristallographie
International journal for structural, physical, and chemical aspects of crystalline materials
ISSN 0044-2968	www.zkristallogr.de
Zeitschrift für Kristallographie, 1997, Volume 212, Issue 08, p. 572 General Aspects
Horst P. Beck, T. Beyer
Lattice potentials as an instrument in crystal chemistry. III.Applications to crystal surfaces
Some applications of surface potential and MAPSE (Madelung Part of Surface Energy) calculations are presented. MAPSE is a useful tool for the prediction of crystal morphologies and the terminating ion layer in crystal, surfaces. The surface specific part of a lattice potential called epi-potential can be used to analyse the range of surface effects and to study the potential topology in epi-potential maps. These maps of crystal surfaces show the positions of the next one or two missing ion layers above the surface as active centres for reactions and adsorption phenomena. We present here calculations for NaCl, CaF₂ and some members of the PbFCl and the PbCl₂ structure family.
Back/Zurück