  Four cluster models for a copper(I)oxide (111) surface have been designed, of
which three were studied with respect to their applicability in density
functional calculations in the general gradient approximation. Formic acid
adsorption on these systems was modelled and yielded four different adsorption
structures, of which two were found to have a high adsorption energy. The
energetically most favourable adsorption structure was further investigated
with respect to its decomposition and a few reactions with adsorbed H and OH
species using synchronous transit methods to estimate reaction barriers and
single point energy calculations for the reaction energy.
