Application of an improved thermodynamic description of multilayer surface compositions of binary alloys

W. Hofer and L.Z. Mezey^*

Fres. J. Anal. Chem. 353 (1995) 631 - 633

The previous developed new thermodynamic theory, the Òmodern thermodynamic calculation of interface propertiesÓ (MTCIP), in its first calculational approximation to a successful description of the surface composition of dilute binary alloys, has been improved in a multilayer description (using several surface atomic sublayers) by allowing for any bulk composition, accounting for farther than first neighbour effects, describing component partial molar surface areas as functions of the mixture surface composition, and including a treatment of surface reconstructions. The calculations for the {100}, {110} and {111} surfaces of Pt₅₀Ni₅₀ single crystal alloys at 1000 K, which are in good agreement with experimental results for all surface atomic sublayers and all surface orientations.

Corresponding author: W. Hofer (hofer).