%0 Journal Article %1 Kalita2009 %A Kalita, B. %A Deka, R. C. %D 2009 %J European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics %K science surface %P 51-58 %R 10.1140/epjd/e2009-00044-6 %T DFT study of CO adsorption on neutral and charged Pd_n (n = 1-7) clusters %U http://dx.doi.org/10.1140/epjd/e2009-00044-6 %V 51 %X 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.

@article{Kalita2009, abstract = {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.}, added-at = {2009-10-30T10:04:05.000+0100}, author = {Kalita, B. and Deka, R. C.}, biburl = {https://www.bibsonomy.org/bibtex/22c6a183252891405d08089173061a785/jfischer}, doi = {10.1140/epjd/e2009-00044-6}, groups = {public}, interhash = {d8d1614194b249cd398e6327658308e9}, intrahash = {2c6a183252891405d08089173061a785}, journal = {European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, keywords = {science surface}, pages = {51-58}, timestamp = {2009-10-30T10:04:14.000+0100}, title = {DFT study of CO adsorption on neutral and charged Pd_n (n = 1-7) clusters}, url = {http://dx.doi.org/10.1140/epjd/e2009-00044-6}, volume = 51, year = 2009 }