DFT study of CO adsorption on Pd-SnO2(1Â 1Â 0) surfaces

- We study CO adsorption on clean SnO2(1 1 0) and on Pd-SnO2 surfaces by DFT calculations.
- CO adsorption is energetically more favourable in the presence of Pd.
- The most stable adsorption sites are those with the C atom bonded to Pd.
- A C-surface bond is formed producing a weakening of its first neighbours surface bonds.
- CO molecule withdraws charge from the surface.