𝔖 Bobbio Scriptorium
✦   LIBER   ✦

NO adsorption on Pd clusters. A density functional study

✍ Scribed by Hélio A. Duarte; Dennis R. Salahub


Book ID
110385414
Publisher
Springer
Year
1999
Tongue
English
Weight
181 KB
Volume
9
Category
Article
ISSN
1022-5528

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Interaction of NO molecules with Pd clus
✍ Robert Grybos; Lubomir Benco; Tomas Bučko; Jürgen Hafner 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 573 KB

## Abstract The adsorption of NO molecules on small Pd~__n__~ (__n__ = 1−6) clusters has been studied using first‐principles density‐functional theory. Three adsorption sites were considered: vertex (on–top), bridge, and hollow. Adsorption is strong, ranging from 2 to 3 eV. In all cases NO adsorbs

Density functional study of multiple H2
✍ Yanjin Wang; Zexing Cao; Qianer Zhang 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 314 KB

Density functional calculations are used to determine structures and stabilities of Pd 6 and hydride complexes Pd 6 (H) n (n ¼ 2; 4). Calculations show that a triplet state of Pd 6 with an elongated octahedral structure is the ground state and the Pd 6 cluster can activate the second H 2 molecule. B

Adsorption of CO on oxygen preadsorbed n
✍ 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