title: Ordered phases of ethylene adsorbed on charged fullerenes and their aggregates.
abstract: In spite of extensive investigations of ethylene adsorbed on graphite, bundles of nanotubes, and crystals of fullerenes, little is known about the existence of commensurate phases; they have escaped detection in almost all previous work. Here we present a combined experimental and theoretical study of ethylene adsorbed on free C60and its aggregates. The ion yield of [Formula: see text] measured by mass spectrometry reveals a propensity to form a structurally ordered phase on monomers, dimers and trimers of C60in which all sterically accessible hollow sites over carbon rings are occupied. Presumably the enhancement of the corrugation by the curvature of the fullerene surface favors this phase which is akin to a hypothetical 1 × 1 phase on graphite. Experimental data also reveal the number of molecules in groove sites of the C60dimer through tetramer. The identity of the sites, adsorption energies and orientations of the adsorbed molecules are determined by molecular dynamics calculations based on quantum chemical potentials, as well as density functional theory. The decrease in orientational order with increasing temperature is also explored in the simulations whereas in the experiment it is impossible to vary the temperature.
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Samuel
authors.initials: S
authors.lastname: Zöttl
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Alexander
authors.initials: A
authors.lastname: Kaiser
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Matthias
authors.initials: M
authors.lastname: Daxner
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Marcelo
authors.initials: M
authors.lastname: Goulart
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Andreas
authors.initials: A
authors.lastname: Mauracher
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Michael
authors.initials: M
authors.lastname: Probst
authors.affiliation: Department of Physics and Astronomy, East Tennessee State University, Johnson City, TN 37614, USA.
authors.forename: Frank
authors.initials: F
authors.lastname: Hagelberg
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Stephan
authors.initials: S
authors.lastname: Denifl
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.
authors.forename: Paul
authors.initials: P
authors.lastname: Scheier
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, University of Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria ; Department of Physics, University of New Hampshire, Durham, NH 03824, USA.
authors.forename: Olof
authors.initials: O
authors.lastname: Echt
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