Spectromicroscopy of C-60 and azafullerene C59N

Author(s)

Dogan Erbahar, Toma Susi, Xavier Rocquefelte, Carla Bittencourt, Mattia Scardamaglia, Peter Blaha, Peter Guttmann, Georgios Rotas, Nikos Tagmatarchis, Xiaohui Zhu, Adam P. Hitchcock, Chris P. Ewels

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.

Organisation(s)

Physics of Nanostructured Materials

External organisation(s)

Université de Nantes, Gebze Technical University, Université Rennes-I, University of Mons, Technische Universität Wien, Helmholtz-Zentrum Berlin für Materialien und Energie, National Hellenic Research Foundation, McMaster University

Journal

Scientific Reports

Volume

6

No. of pages

12

ISSN

2045-2322

DOI

https://doi.org/10.1038/srep35605

Publication date

10-2016

Peer reviewed

Yes

Austrian Fields of Science 2012

103015 Condensed matter, 104011 Materials chemistry

Keywords

Portal url

https://ucris.univie.ac.at/portal/en/publications/spectromicroscopy-of-c60-and-azafullerene-c59n(187d8d7a-27b7-4356-86e2-3fef8bf72566).html