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Erbahar, D., Susi, T., Rocquefelte, X., Bittencourt, C., Scardamaglia, M., Blaha, P., Guttmann, P., Rotas, G., Tagmatarchis, N., Zhu, X., Hitchcock, A. P. & Ewels, C. P. (2016) Spectromicroscopy of C-60 and azafullerene C59N: Identifying surface adsorbed water. Sci Rep, 6 35605. 
Added by: Richard Baschera (2016-12-02 14:35:00)   Last edited by: Richard Baschera (2016-12-02 14:38:33)
Type de référence: Article
DOI: 10.1038/srep35605
Numéro d'identification (ISBN etc.): 2045-2322
Clé BibTeX: Erbahar2016
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Mots-clés: (c59n)(2), absorption, electronic-structure, energy, films, Fullerenes, Oxygen, space, spectroscopy, walled carbon nanotubes
Créateurs: Bittencourt, Blaha, Erbahar, Ewels, Guttmann, Hitchcock, Rocquefelte, Rotas, Scardamaglia, Susi, Tagmatarchis, Zhu
Collection: Sci Rep
Consultations : 2/469
Indice de consultation : 3%
Indice de popularité : 0.75%
C-60 fullerene crystals may serve as important catalysts for interstellar organic chemistry. To explore this possibility, the electronic structures of free-standing powders of C-60 and (C59N)(2) azafullerenes are characterized using X-ray microscopy with near-edge X-ray adsorption fine structure (NEXAFS) spectroscopy, closely coupled with density functional theory (DFT) calculations. This is supported with X-ray photoelectron spectroscopy (XPS) measurements and associated core-level shift DFT calculations. We compare the oxygen 1s spectra from oxygen impurities in C-60 and C59N, and calculate a range of possible oxidized and hydroxylated structures and associated formation barriers. These results allow us to propose a model for the oxygen present in these samples, notably the importance of water surface adsorption and possible ice formation. Water adsorption on C-60 crystal surfaces may prove important for astrobiological studies of interstellar amino acid formation.
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