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DFT study of CO adsorption on neutral and charged Pdn(n = 1–7) clusters

✍ Scribed by B. Kalita; R. C. Deka

Book ID
111629208
Publisher
Springer
Year
2009
Tongue
English
Weight
317 KB
Volume
53
Category
Article
ISSN
1434-6060

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Adsorption of CO on oxygen preadsorbed n
Adsorption of CO on oxygen preadsorbed neutral and charged gas phase Pd4 clusters: A density functional study
✍ Bulumoni Kalita; Ramesh C. Deka 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 689 KB

We present the results of a density functional calculation on adsorption of O 2 , CO, and their coadsorption at various sites of neutral, cationic, and anionic Pd 4 clusters. For all the clusters, the dissociative adsorption of oxygen sitting on Pd bridge sites is found to be preferable. Both O 2 an