𝔖 Bobbio Scriptorium
✦   LIBER   ✦

c-C5H5 on a Ni(1 1 1) surface: Theoretical study of the adsorption, electronic structure and bonding

✍ Scribed by E. Germán; S. Simonetti; E. Pronsato; A. Juan; G. Brizuela

Book ID
108060548
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
537 KB
Volume
254
Category
Article
ISSN
0169-4332

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A bonding study of cyclopentene (c-C5H8)
A bonding study of cyclopentene (c-C5H8) adsorption on Ni(1 1 1) surface
✍ E. Germán; I. López-Corral; A. Juan; G. Brizuela 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 608 KB

The adsorption of cyclopentene (c-C 5 H 8 ) on Ni(1 1 1) was studied using DFT and semiempirical calculations. Preferred site and geometry calculations were carried out considering a Ni(1 1 1) surface and a unit cell of 64-atoms. The tetrahedral threefold hollow position was identified as the most f

Study of the adsorption, electronic stru
Study of the adsorption, electronic structure and bonding of C2H4 on the FeNi(1 1 1) surface
✍ S. Simonetti; G. Brizuela; A. Juan 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 853 KB

The adsorption of C 2 H 4 on the FeNi(1 1 1) alloy surface has been studied by ASED-MO tight binding calculations. The C 2 H 4 molecule presents its most stable geometry with the C C bond axis parallel to the surface along the [1, -1, 0] direction, bonded on top Fe atom and bonded along a Fe-Fe brid