Surface electronic structure and reactivity of transition and noble
metals

Surface electronic structure and reactivity of transition and noble metals
==========================================================================

by A. Ruban, B. Hammer, P. Stoltze, H. L. Skriver, and J. K. Nørskov.
Journal of Molecular Catalysis A: Chemical **115**, 421 (1997).

Abstract
--------

We present self-consistent density functional calculations using the
LMTO-ASA method of the variations in the surface electronic structure
for pseudomorfic overlayers and impurities of Fe, Co, Ni, Cu, Ru, Rh,
Pd, Ag, Ir, Pt, and Au on the other metals. Knowledge of these
variations is of importance in understanding trends in the reactivity of
metal surfaces. A simple model is presented which gives a description of
the overall trends in the self-consistently calculated results.