Surface composition of a solid solution of monovalent ionic compounds of NaCl structure

W. H. Cheng, Harold H Kung

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The surface composition of a perfect (100) surface of a solid solution of monovalent ionic compounds AX and BX of NaCl structure was calculated using a monolayer model. The ions in the surface layer were assumed to possess dipole moments, and were allowed to relax from their perfect lattice positions. The surface composition was calculated by searching for the condition of lowest Gibbs free energy of the solid, which was predominantly determined by the coulombic and the repulsive interactions between ions. Thus, it is possible to express the surface composition as a function of the difference in the ionic radii of A and B, and in their repulsive parameters, for a given anion, temperature, and bulk composition. Results are presented for the solutions of NaClKCl, and AXBX where A and B were characterized by their electronic polarizabilities, their repulsive parameters, and the number of electrons of each ion.

Original languageEnglish
Pages (from-to)153-176
Number of pages24
JournalSurface Science
Volume88
Issue number1
DOIs
Publication statusPublished - 1979

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Surface structure
Solid solutions
solid solutions
Ions
Dipole moment
Gibbs free energy
ions
Anions
Monolayers
Negative ions
surface layers
dipole moments
Electrons
anions
Chemical analysis
radii
electronics
Temperature
electrons
interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

Surface composition of a solid solution of monovalent ionic compounds of NaCl structure. / Cheng, W. H.; Kung, Harold H.

In: Surface Science, Vol. 88, No. 1, 1979, p. 153-176.

Research output: Contribution to journalArticle

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