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Ballistic Diffusion in Poly-aromatic Hydrocarbons on Graphite

Calvo-Almazán, I, Sacchi, Marco, Tamtögl, A, Bahn, E, Koza, MM, Miret-Artés, S and Fouquet, P (2016) Ballistic Diffusion in Poly-aromatic Hydrocarbons on Graphite Journal of Physical Chemistry Letters, 7. pp. 5285-5290.

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Abstract

This work presents an experimental picture of molecular ballistic diffusion on a surface, a process which is difficult to pinpoint since it generally occurs at very short length scales. By combining neutron-time-of-flight data, with molecular dynamics simulations and density functional theory calculations, we provide a complete description of the ballistic translations and rotations of a poly-aromatic hydrocarbon (PAH) adsorbed on the basal plane of graphite. Pyrene, C16H10, adsorbed on graphite is a unique system where at relative surface coverages of about 10-20 %, its mean free path matches the experimentally accessible time/space scale of neutron time-of-flight spectroscopy (IN6 at the Institut Laue-Langevin). The comparison between the diffusive behavior of large and small PAHs such as pyrene and benzene adsorbed on graphite, brings a strong experimental indication that the interaction between molecules is the dominating mechanism in the surface diffusion of poly-aromatic hydrocarbons adsorbed on graphite.

Item Type: Article
Subjects : Chemistry
Divisions : Faculty of Engineering and Physical Sciences > Chemistry
Authors :
NameEmailORCID
Calvo-Almazán, IUNSPECIFIEDUNSPECIFIED
Sacchi, Marcom.sacchi@surrey.ac.ukUNSPECIFIED
Tamtögl, AUNSPECIFIEDUNSPECIFIED
Bahn, EUNSPECIFIEDUNSPECIFIED
Koza, MMUNSPECIFIEDUNSPECIFIED
Miret-Artés, SUNSPECIFIEDUNSPECIFIED
Fouquet, PUNSPECIFIEDUNSPECIFIED
Date : 2 December 2016
Identification Number : https://doi.org/10.1021/acs.jpclett.6b02305
Copyright Disclaimer : Copyright 2016 American Chemical Society
Related URLs :
Depositing User : Symplectic Elements
Date Deposited : 30 Nov 2016 13:44
Last Modified : 15 Jun 2017 13:59
URI: http://epubs.surrey.ac.uk/id/eprint/813011

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