𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Oxidation of small gas phase Pd clusters: A density functional study

✍ Scribed by Bernd Huber; Hannu Häkkinen; Uzi Landman; Michael Moseler

Book ID
116374332
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
442 KB
Volume
35
Category
Article
ISSN
0927-0256

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A density functional study of small nick
A density functional study of small nickel clusters
✍ M. C. Michelini; R. Pis Diez; A. H. Jubert 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 304 KB 👁 2 views

Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetra

Density functional study of small molybd
Density functional study of small molybdenum clusters
✍ Reinaldo Pis Diez 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 178 KB 👁 2 views

Small molybdenum clusters up to the tetramer are investigated within the framework of the density functional theory. Both the geometry and the spin state are optimized for the dimer, trimer, and the tetramer. Moreover, all those calculations are followed by a vibrational analysis to discriminate bet

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

Density functional study of small aqueou
Density functional study of small aqueous Be2+ clusters
✍ D. Marx; J. Hutter; M. Parrinello 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 586 KB

We investigate the structural, vibrational, and energetic properties of [Be( HzO),]\*+ clusters with n = 1, 2, 3, 4, and 6 water molecules, relevant to Be \*+ hydration. The Becke exchange gradient-corrected local density approximation is used in the framework of a pseudopotential representation of