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Spectromicroscopy of C-60 and azafullerene C59N: Identifying surface adsorbed water

Abstract : C fullerene crystals may serve as important catalysts for interstellar organic chemistry. To explore this possibility, the electronic structures of free-standing powders of C and (CN) 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 and CN, 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 crystal surfaces may prove important for astrobiological studies of interstellar amino acid formation.
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01395474
Contributor : Laurent Jonchère <>
Submitted on : Thursday, November 10, 2016 - 5:10:16 PM
Last modification on : Thursday, March 5, 2020 - 2:55:43 PM

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Dogan Erbahar, Toma Susi, Xavier Rocquefelte, Carla Bittencourt, Mattia Scardamaglia, et al.. Spectromicroscopy of C-60 and azafullerene C59N: Identifying surface adsorbed water. Scientific Reports, Nature Publishing Group, 2016, 6 (1), pp.35605. ⟨10.1038/srep35605⟩. ⟨hal-01395474⟩

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