Approximating the 3D Character of a Van Der Waals Atom–Solid Potential

Approximating the 3D Character of a Van Der Waals Atom–Solid Potential

A truncated Fourier decomposition of the atom–substrate potential energy is developed for three-dimensional models of van der Waals systems, specifically for adsorption on the basal plane surface of graphite or the (111) face of a face-centered-cubic lattice. This provides a framework for analysis o...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Journal of low temperature physics 2016-10, Vol.185 (1-2), p.122-128
1. Verfasser: Bruch, L. W.
Format: Artikel
Sprache:eng
Schlagworte:
Adsorption
Approximation
Basal plane
Characterization and Evaluation of Materials
Condensed Matter Physics
Cubic lattice
Fourier analysis
Graphite
Low temperature physics
Magnetic Materials
Magnetism
Physics
Physics and Astronomy
Potential energy
Surface chemistry
Three dimensional models
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:A truncated Fourier decomposition of the atom–substrate potential energy is developed for three-dimensional models of van der Waals systems, specifically for adsorption on the basal plane surface of graphite or the (111) face of a face-centered-cubic lattice. This provides a framework for analysis of a priori calculations of physical adsorption energies.
ISSN:0022-2291
1573-7357
DOI:10.1007/s10909-016-1613-x