Abstract
Density functional calculations have been performed to investigate CO adsorption on neutral, cationic and anionic Pdn (n=1–7) clusters. From the results, it is observed that the binding of CO molecule to neutral and cationic palladium clusters takes place via 1-, 2- and 3-fold coordination. On the other hand, only terminal adsorption of CO molecule is possible in anionic clusters barring bridging adsorption in Pd7- cluster.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have