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The structure of deuterated benzene films adsorbed on the graphite (0001) basal plane: what happens below and above the monolayer coverage?

Bahn, Emanuel; Hedgeland, Holly; Jardine, Andrew P.; Henry, Paul LU ; Hansen, Thomas C. and Fouquet, Peter (2014) In Physical Chemistry Chemical Physics 16(40). p.22116-22121
Abstract
An exact description of the interactions in aromatic carbon systems is a key condition for the design of carbon based nanomaterials. In this paper we investigate the binding and adsorbate structure of the simplest prototype system in this class the single aromatic ring molecule benzene on graphite. We have collected neutron diffraction data of the ordered phase of deuterated benzene, C6D6, adsorbed on the graphite (0001) basal plane surface. We examined relative coverages from 0.15 up to 1.3 monolayers (ML) in a temperature range of 80 to 250 K. The results confirm the flat lying commensurate (root 7 x root 7)R19.1 degrees monolayer with lattice constants a = b = 6.5 angstrom at coverages of less than 1 ML. For this structure we observe a... (More)
An exact description of the interactions in aromatic carbon systems is a key condition for the design of carbon based nanomaterials. In this paper we investigate the binding and adsorbate structure of the simplest prototype system in this class the single aromatic ring molecule benzene on graphite. We have collected neutron diffraction data of the ordered phase of deuterated benzene, C6D6, adsorbed on the graphite (0001) basal plane surface. We examined relative coverages from 0.15 up to 1.3 monolayers (ML) in a temperature range of 80 to 250 K. The results confirm the flat lying commensurate (root 7 x root 7)R19.1 degrees monolayer with lattice constants a = b = 6.5 angstrom at coverages of less than 1 ML. For this structure we observe a progressive melting well below the desorption temperature. At higher coverages we do neither observe an ordered second layer nor a densification of the structure by upright tilting of first layer molecules, as generally assumed up to now. Instead, we see the formation of clusters with a bulk crystalline structure for coverages only weakly exceeding 1 ML. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
16
issue
40
pages
22116 - 22121
publisher
Royal Society of Chemistry
external identifiers
  • wos:000343072800023
  • scopus:84907888872
ISSN
1463-9084
DOI
10.1039/c4cp03380a
language
English
LU publication?
yes
id
803089d4-f58a-4028-93a5-2c270d9fc528 (old id 4784079)
date added to LUP
2014-11-21 12:13:00
date last changed
2017-01-01 06:32:03
@article{803089d4-f58a-4028-93a5-2c270d9fc528,
  abstract     = {An exact description of the interactions in aromatic carbon systems is a key condition for the design of carbon based nanomaterials. In this paper we investigate the binding and adsorbate structure of the simplest prototype system in this class the single aromatic ring molecule benzene on graphite. We have collected neutron diffraction data of the ordered phase of deuterated benzene, C6D6, adsorbed on the graphite (0001) basal plane surface. We examined relative coverages from 0.15 up to 1.3 monolayers (ML) in a temperature range of 80 to 250 K. The results confirm the flat lying commensurate (root 7 x root 7)R19.1 degrees monolayer with lattice constants a = b = 6.5 angstrom at coverages of less than 1 ML. For this structure we observe a progressive melting well below the desorption temperature. At higher coverages we do neither observe an ordered second layer nor a densification of the structure by upright tilting of first layer molecules, as generally assumed up to now. Instead, we see the formation of clusters with a bulk crystalline structure for coverages only weakly exceeding 1 ML.},
  author       = {Bahn, Emanuel and Hedgeland, Holly and Jardine, Andrew P. and Henry, Paul and Hansen, Thomas C. and Fouquet, Peter},
  issn         = {1463-9084},
  language     = {eng},
  number       = {40},
  pages        = {22116--22121},
  publisher    = {Royal Society of Chemistry},
  series       = {Physical Chemistry Chemical Physics},
  title        = {The structure of deuterated benzene films adsorbed on the graphite (0001) basal plane: what happens below and above the monolayer coverage?},
  url          = {http://dx.doi.org/10.1039/c4cp03380a},
  volume       = {16},
  year         = {2014},
}