The adsorption of carbon monoxide on small cationic, neutral and anionic gold clusters was studied by using density functional theory. The adsorption energies of the anions was found to increase with cluster size and reached a maximum level at Au5CO-. The results showed that the differences in adsorption energies for the different charge states decreased with increasing cluster size.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry