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

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, 20 (30). pp. 1-11. ISSN 09538984

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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: Article
Additional Information: Article Number: 304206
Subjects: Q Science > Q Science (General)
Q Science > QC Physics
Schools: School of Applied Sciences
School of Applied Sciences > Materials and Catalysis Research Centre
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Depositing User: Graham Stone
Date Deposited: 12 Feb 2009 15:45
Last Modified: 28 Aug 2021 10:44


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