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The local adsorption structure of benzene on Si(001)-(2 × 1): a photoelectron diffraction investigation

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Nisbet, G., Lamont, C. L. A., Polcik, M., Terborg, R., Sayago, D. I., Kittel, M., Hoeft, J. T., Toomes, R. L. and Woodruff, D. P.. (2008) The local adsorption structure of benzene on Si(001)-(2 × 1): a photoelectron diffraction investigation. Journal of Physics: Condensed Matter, Vol.20 (No.30). p. 4206. ISSN 0953-8984

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Official URL: http://dx.doi.org/10.1088/0953-8984/20/30/304206

Abstract

Scanned-energy mode C 1s photoelectron diffraction has been used to investigate the local adsorption geometry of benzene on Si(001) at saturation coverage and room temperature. The results show that two different local bonding geometries coexist, namely the 'standard butterfly' (SB) and 'tilted bridge' (TB) forms, with a composition of 58 ± 29% of the SB species. Detailed structural parameter values are presented for both species including Si–C bond lengths. On the basis of published measurements of the rate of conversion of the SB to the TB form on this surface, we estimate that the timescale of our experiment is sufficient for achieving equilibrium, and in this case our results indicate that the difference in the Gibbs free energy of adsorption, ΔG(TB)−ΔG(SB), is in the range −0.023 to +0.049 eV. We suggest, however, that the relative concentration of the two species may also be influenced by a combination of steric effects influencing the kinetics, and a sensitivity of the adsorption energies of the adsorbed SB and TB forms to the nature of the surrounding benzene molecules.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Adsorption -- Research, Surfaces (Physics) -- Research, Thermodynamics -- Research, Condensed matter -- Research
Journal or Publication Title:	Journal of Physics: Condensed Matter
Publisher:	Institute of Physics Publishing Ltd.
ISSN:	0953-8984
Date:	8 July 2008
Volume:	Vol.20
Number:	No.30
Page Range:	p. 4206
Identification Number:	10.1088/0953-8984/20/30/304206
Status:	Peer Reviewed
Access rights to Published version:	Open Access
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URI:	http://wrap.warwick.ac.uk/id/eprint/2977