Journal
EUROPEAN PHYSICAL JOURNAL D
Volume 53, Issue 1, Pages 51-58Publisher
SPRINGER
DOI: 10.1140/epjd/e2009-00044-6
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Funding
- Council of Scientific and Industrial Research, New Delhi
- Department of Science and Technology, New Delhi
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Density functional calculations have been performed to investigate CO adsorption on neutral, cationic and anionic Pd-n (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 Pd-7 (-) cluster.
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