We study how the binding energy, the vibrational frequencies and the
adsorption isotherm of CO on Pd(100) are modified when the solid is subject to
uniform strain. The parameters controlling the thermodynamics of adsorption
(the adsorption energy, the vibrational frequencies of the adsorbed molecules
and the interaction energy between the molecules) have been calculated by using
density functional theory. These parameters are then used in a grand canonical
Monte Carlo simulation that determines the CO coverage when the surface is in
thermodynamic equilibrium with a CO gas, at a specified pressure and
temperature. We find that this is substantially affected by the strain. Our
results, along with those obtained by others, suggest that the development of
"elastochemistry", a study of the change in the chemical properties of a
surface when subjected to strain, will lead to interesting and measurable
results. It also suggests that differences in chemical activity between
clusters on a support and clusters in gas phase may be partly due to the strain
induced when a cluster is placed on the support.Comment: 8 pages, 5 figures, Submitted to J. Chem. Phy