Structure sensitivity in adsorption: CO interaction with stepped and
reconstructed Pt surfaces

Structure sensitivity in adsorption: CO interaction with stepped and reconstructed Pt surfaces
==============================================================================================

by B. Hammer, O. H. Nielsen, and J. K. Nørskov.

Catalysis Letters, **46**, 31 (1997).

Abstract
--------

The structure sensitivity of CO adsorption on different flat, stepped,
kinked and reconstructed Pt surfaces is studied using large scale
density-functional calculations. We find an extremely strong structure
sensitivity in the adsorption energy with variations up to 1 eV (or
100\\%) from one structure to the next. We propose a model to explain
this behavior, and use it to discuss more generally the origin of
structure sensitivity in heterogeneous catalysis.