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Ballistic Diffusion in Polyaromatic Hydrocarbons on Graphite.
- Source :
-
The journal of physical chemistry letters [J Phys Chem Lett] 2016 Dec 15; Vol. 7 (24), pp. 5285-5290. Date of Electronic Publication: 2016 Dec 07. - Publication Year :
- 2016
-
Abstract
- This work presents an experimental picture of molecular ballistic diffusion on a surface, a process that is difficult to pinpoint because it generally occurs on 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 polyaromatic hydrocarbon (PAH) adsorbed on the basal plane of graphite. Pyrene, C <subscript>16</subscript> H <subscript>10</subscript> , 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 polyaromatic hydrocarbons adsorbed on graphite.
Details
- Language :
- English
- ISSN :
- 1948-7185
- Volume :
- 7
- Issue :
- 24
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry letters
- Publication Type :
- Academic Journal
- Accession number :
- 27973887
- Full Text :
- https://doi.org/10.1021/acs.jpclett.6b02305