Lattice potentials as an instrument in crystal chemistry. III. Applications to crystal surfaces1
Abstract
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.
© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München
Articles in the same Issue
- Profile analysis of the supersatellite reflections in Labradorite – A synchrotron X-ray diffraction study
- Crystal structure determination from powder diffraction data by the application of a genetic algorithm
- The 3-regular nets with four and six vertices per unit cell
- Lattice potentials as an instrument in crystal chemistry. I. Theory and calculation1
- Lattice potentials as an instrument in crystal chemistry. II. Applications to the crystal bulk1
- Lattice potentials as an instrument in crystal chemistry. III. Applications to crystal surfaces1
- Locating symmetry elements in Patterson superposition maps
- Crystal structure determination of the TiSe2-based misfit layer compound (LaSe)1.20(TiSe2)2
- Conformation of ergopeptam and ergopeptine alkaloids (ergocristam and ergocristine)
- A comparison of the structures of RE3+ with proline
- Réduction de (+)-3-[di(alkylsulfanyl)méthylène]bornan-2-ones. Formation de complexes zinciques chiraux. Structure cristalline et dichroïsme circulaire
- Books Received
Articles in the same Issue
- Profile analysis of the supersatellite reflections in Labradorite – A synchrotron X-ray diffraction study
- Crystal structure determination from powder diffraction data by the application of a genetic algorithm
- The 3-regular nets with four and six vertices per unit cell
- Lattice potentials as an instrument in crystal chemistry. I. Theory and calculation1
- Lattice potentials as an instrument in crystal chemistry. II. Applications to the crystal bulk1
- Lattice potentials as an instrument in crystal chemistry. III. Applications to crystal surfaces1
- Locating symmetry elements in Patterson superposition maps
- Crystal structure determination of the TiSe2-based misfit layer compound (LaSe)1.20(TiSe2)2
- Conformation of ergopeptam and ergopeptine alkaloids (ergocristam and ergocristine)
- A comparison of the structures of RE3+ with proline
- Réduction de (+)-3-[di(alkylsulfanyl)méthylène]bornan-2-ones. Formation de complexes zinciques chiraux. Structure cristalline et dichroïsme circulaire
- Books Received
