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The local adsorption site of methylthiolate on Au(1 1 1): Bridge or atop?

By D. C. Jackson, Anindita Chaudhuri, T. J. Lerotholi, D. P. Woodruff, R. G. Jones and Vin Dhanak


Measurements of the local adsorption geometry of the S head-group atom in the Au(1 1 1)(√3 × √3)R30°–CH3S surface have been made using normal incidence X-ray standing waves (NIXSW) and S 1s scanned-energy mode photoelectron diffraction on the same surface preparations. The results confirm that the local adsorption site is atop an Au atom in a bulk-continuation site with a S–Au bondlength of 2.42 ± 0.02 Å, and that there can be no significant fraction of coadsorbed bridging species as recently proposed in a combined molecular dynamics/experimental study by Mazzarello et al. [R. Mazzarello, A. Cossaro, A. Verdini, R. Rousseau, L. Casalis, M.F. Danisman, L. Floreano, S. Scandolo, A. Morgante, G. Scoles, Phys. Rev. Lett. 98 (2007) 016102]. The results do not, however, clearly distinguish the different local reconstruction (adatom) models proposed for this surface

Topics: QC
Publisher: Elsevier BV
Year: 2009
OAI identifier:

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  1. Further information on the NIXSW station 4.2 at SRS Daresbury can be found at
  2. The Igor routines of XSWfit can be obtained from
  3. (1994). X.-M.Hu, D.P.Woodruff, K.-U.Weiss, R.Dippel, K.-M.Schindler, Ph.Hofmann and A.M.Bradshaw Phys. doi

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