期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 7, 期 24, 页码 5285-5290出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.6b02305
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资金
- Ramon Areces foundation
- EPSRC [EP/L000202]
- graduate college of the Universite de Grenoble (France)
- FWF (Austrian Science Fund) [J3479-N20]
- Ministerio de Economia y Competitividad (Spain) [FIS2014-52172-C2-1-P]
- Austrian Science Fund (FWF) [J3479] Funding Source: Austrian Science Fund (FWF)
- Austrian Science Fund (FWF) [J 3479] Funding Source: researchfish
- Engineering and Physical Sciences Research Council [EP/L000202/1] Funding Source: researchfish
- EPSRC [EP/L000202/1] Funding Source: UKRI
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, 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 polyaromatic hydrocarbons adsorbed on graphite.
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