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Carbon nanotubes interacting with vitamins: First principles calculations

✍ Scribed by Vivian M. de Menezes; S.B. Fagan; I. Zanella; R. Mota

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
765 KB
Volume
40
Category
Article
ISSN
0026-2692

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πŸ“œ SIMILAR VOLUMES

Fe and Mn atoms interacting with carbon
Fe and Mn atoms interacting with carbon nanotubes
✍ Solange B. Fagan; R. Mota; AntΓ΄nio.J.R. da Silva; A. Fazzio πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 351 KB

We study the structural, electronic and magnetic properties of Fe and Mn monomers and dimers adsorbed on a semiconductor (8,0) single-wall carbon nanotube. Using spin-polarized total-energy ab initio calculations based on the density-functional theory, we find for both Fe and Mn monomers the hexagon