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Spectromicroscopy of C-60 and azafullerene C59N

Subtitle:Identifying surface adsorbed water
Authors/others:Erbahar, Dogan (Univ Nantes, Centre National de la Recherche Scientifique (CNRS), University of Nantes Angers Le Mans, University of Nantes, CNRS, Inst Mat Jean Rouxel) Susi, TomaRocquefelte, Xavier (Univ Nantes, Centre National de la Recherche Scientifique (CNRS), University of Nantes Angers Le Mans, University of Nantes, CNRS, Inst Mat Jean Rouxel) Bittencourt, Carla (University of Mons ) Scardamaglia, Mattia (University of Mons ) Blaha, Peter (Technische Universität Wien) Guttmann, Peter (Helmholtz-Zentrum Berlin für Materialien und Energie) Rotas, Georgios (National Hellenic Research Foundation) Tagmatarchis, Nikos (National Hellenic Research Foundation) Zhu, Xiaohui (McMaster University) Hitchcock, Adam P. (McMaster University) Ewels, Chris P. (Univ Nantes, Centre National de la Recherche Scientifique (CNRS), University of Nantes Angers Le Mans, University of Nantes, CNRS, Inst Mat Jean Rouxel)
Abstract: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.
Language:English
Number of pages:12
Date of publication:17.10.2016
Journal title:Scientific Reports
Volume:6
Links:
Digital Object Identifier (DOI):http://dx.doi.org/10.1038/srep35605
Publication Type:Article
Research Group Physics of Nanostructured Materials
Faculty of Physics

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