The Library

The local adsorption geometry of benzenethiolate on Cu(1 0 0)

Tools

Allegretti, F., Bussolotti, F., Woodruff, D. P., Dhanak, Vin, Beccari, M., Di Castro, M., Betti, M. G. and Mariani, C.. (2008) The local adsorption geometry of benzenethiolate on Cu(1 0 0). Surface Science, Vol.602 (No.14). pp. 2453-2462. ISSN 0039-6028

PDF
WRAP_Woodruff_local_adsorbtion__260310-449_preprint.pdf - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Download (354Kb)

Official URL: http://dx.doi.org/10.1016/j.susc.2008.05.032

Abstract

The local adsorption geometry of benzenethiolate in the ordered c(2 × 6) phase on Cu(1 0 0) has been investigated by a combination of S K-edge near-edge X-ray absorption fine structure (NEXAFS), normal incidence X-ray standing waves (NIXSW) and S 1s scanned-energy mode photoelectron diffraction (PhD). NEXAFS and PhD show that the molecular plane is tilted from the surface normal by 20 ± 15°, while NIXSW clearly identifies the S head-group as occupying the four-fold coordinated hollow sites. PhD shows the S atoms lies 1.34 ± 0.04 Å above the outermost Cu atomic layer, leading to a Cu–S bondlength of 2.25 ± 0.02 Å. The combination of the PhD and NIXSW results shows the Cu surface layer has an outward relaxation of 0.15 ± 0.06 Å. Possible origins for this large adsorbate-induced relaxation are discussed.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Surfaces (Physics) -- Research, Photoelectron spectroscopy, X-rays -- Diffraction, X-ray absorption near edge structure, Chemisorption -- Research
Journal or Publication Title:	Surface Science
Publisher:	Elsevier BV
ISSN:	0039-6028
Date:	July 2008
Volume:	Vol.602
Number:	No.14
Page Range:	pp. 2453-2462
Identification Number:	10.1016/j.susc.2008.05.032
Status:	Peer Reviewed
Access rights to Published version:	Open Access
Funder:	Council for the Central Laboratory of the Research Councils (Great Britain) (CCLRC)
References:	[1] F. Schreiber, Progr. Surf. Sci. 65 (2000) 151. [2] G.M. Whitesides, J.P. Mathias, C.T. Seto, Science 254 (1991) 1312. [3] L.H. Dubois, R.G. Nuzzo, Annu. Rev. Phys. Chem. 43 (1992) 437. [4] A. Ulmann, Chem. Rev. 96 (1996) 1533. [5] D.P. Woodruff, Appl. Surf. Sci. 254 (2007) 76. [6] Miao Yu, N. Bovet, C.J. Satterley, S. Bengió, K.R.J. Lovelock, P.K. Milligan, R.G. Jones, D.P. Woodruff, V.R. Dhanak, Phys. Rev. Lett. 97 (2006) 166102. [7] P. Maksymovych, D.C. Sorescu, J.T. Yates Jr., Phys. Rev. Lett. 97 (2006) 146103. [8] 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. [9] P.A. Agron, T.A. Carlson, J. Vac. Sci. Technol. 20 (1982) 815. [10] K. Wong, K. Kwon, B.V. Rao, A. Liu, L. Bartels, J. Am. Chem. Soc. 126 (2004) 7762. [11] P.A. Agron, T.A. Carlson, W.B. Dress, G.L. Nyberg, J. Electron Spectrosc. Relat. Phenom. 42 (1987) 313. [12] W. Shen, G.L. Nyberg, J. Liesegang, Surf. Sci. 298 (1993) 143. [13] S.E. Anderson, G.L. Nyberg, J. Electron Spectrosc. Relat. Phenom. 52 (1990) 735. [14] V. Di Castro, F. Bussolotti, C. Mariani, Surf. Sci. 598 (2005) 218. [15] C.M. Whelan, C.J. Barnes, C.G.H. Walker, N.M.D. Brown, Surf. Sci. 425 (1999) 195. [16] D.M. Jaffey, R.J. Madix, J. Am. Chem. Soc. 116 (1994) 3020. [17] S.M. Kane, T.S. Rufael, J.L. Gland, D.R. Huntley, D.A. Fischer, J. Phys. Chem. B 101 (1997) 8486. [18] Y. Takata, T. Yokoyama, S.Yagi, N. Happo, H. Sato, K. Seki, T. Ohta, Y. Kitajima, H. Kuroda, Surf. Sci. 259 (1991) 266. [19] J. Stöhr, D.A. Outka, Phys. Rev. B 36 (1987) 7891. [20] J.T. Roberts, C.M. Friend, J. Chem. Phys. 88 (1988) 7172. [21] C.W.J. Bol, C.M. Friend, X. Xu, Langmuir 12 (1996) 6083. [22] J. Stöhr, NEXAFS Spectroscopy, Springer-Verlag, Berlin, 1992. [23] D.P. Woodruff, Prog. Surf. Sci. 57 (1998) 1. [24] D.P. Woodruff, Rep. Prog. Phys. 68 (2005) 743. [25] D.P. Woodruff, A.M. Bradshaw, Rep. Prog. Phys. 57 (1994) 1029. [26] D.P. Woodruff, Surf. Sci. Rep. 62 (2007) 1. [27] A.W. Robinson, S. D’Addato, V.R. Dhanak, P. Finetti, G. Thornton, Rev. Sci. Instr. 66 (1995) 1762. [28] C.J. Powell, A. Jablonski, NIST electron effective-attenuation-length database, NIST Standard Reference Database 82, NIST, Gaithersburg, USA, 2003. [29] F. Allegretti, D.P. Woodruff, V.R. Dhanak, C. Mariani, F. Bussolotti, S. D'Addato, Surf. Sci. 598 (2005) 253. [30] V. Di Castro, private communication. [31] C. Dezarnaud, M. Tronc, A.P. Hitchcock, Chem. Phys. 142 (1990) 455. [32] H. Kondoh, N. Saito, F. Matsui, T. Yokoyama, T. Ohta, H. Kuroda, J. Phys. Chem. B 105 (2001) 12870. [33] H. Rieley, G.K. Kendall, A. Chan, R.G. Jones, J. Lüdecke, D.P. Woodruff, B.C.C. Cowie, Surf. Sci. 392 (1997) 143. [34] S.A. Sardar, J.A. Syed, S. Yagi, K. Tanaka, Thin Solid Films 450 (2004) 265. [35] XSWfit is a procedure, written as an Igor-Pro macro, which automatically fits XSW data. It is based on the formalism originally developed by D.P. Woodruff in Fortran for calculating the XSW profile for a given set of parameters. A copy of the Igor routines can be obtained from R.G. Jones, email: robert.g.jones@nottingham.ac.uk. [36] J. Zegenhagen, Surf. Sci. Rep. 18 (1993) 199. [37] J.J. Lee, C.J. Fisher, D.P. Woodruff, M.G. Roper, R.G. Jones, B.C.C Cowie, Surf. Sci. 494 (2001) 166. [38] D.P. Woodruff, B.C.C. Cowie, A.R.H.F. Ettema, J. Phys.: Condens. Matter 6 (1994) 10633. [39] V. Fritzsche, J. Phys.: Condens. Matter 2 (1990) 1413. [40] V. Fritzsche, Surf. Sci. 265 (1992) 187. [41] V. Fritzsche, Surf. Sci. 213 (1989) 648. [42] J.B. Pendry, J. Phys. C: Solid State Phys. 13 (1980) 937. [43] N.A. Booth, R. Davis, R. Toomes, D.P. Woodruff, C. Hirschmugl, K.-M. Schindler, O. Schaff, V. Fernandez, A. Theobald, Ph. Hofmann, R. Lindsay, T. Giessel, P. Baumgärtel, A.M. Bradshaw, Surf. Sci. 387 (1997) 152. [44] B. Rozsondai, G. Schultz, I. Hargittai, J. Mol. Struct. 70 (1981) 309. [45] G. Schultz, I. Hargittai, M. Kolonits, J. Garbarczyk, J. Mol. Struct. 160 (1987) 267. [46] T. Gieel, O. Schaff, R. Lindsay, R. Terborg, P. Baumgärtel, J.T. Hoeft, M. Polcik, A.M. Bradshaw, A. Koebbel, D.R. Lloyd, D.P. Woodruff, J. Chem. Phys. 110 (1999) 9666. [47] R. Terborg, M. Polcik, J.T. Hoeft, M. Kittel, M. Pascal, J.H. Kang, C.L.A. Lamont, A.M. Bradshaw, D.P. Woodruff, Surf.Sci. 457 (2000) 1. [48] F. Allegretti, M. Polcik, D.P. Woodruff, Surf. Sci. 601 (2007) 3611. [49] M. Beccari, A. Kanjilal, S. Morpurgo, M.G. Betti, C. Mariani, L. Floreano, A. Cossaro, V. Di Castro, unpublished work. [50] M.S. Kariapper, C.J. Fisher, D.P. Woodruff, B.C.C. Cowie, R.G. Jones, J.Phys.: Condens. Matter 12 (2000) 2153. [51] A. Imanishi, S. Takenaka, T. Yokoyama, Y. Kitajima, T. Ohta, J. Phys. IV France 7 (1997) C2-701. [52] S.M. Driver, D.P. Woodruff, Surf. Sci. 488 (2001) 207. [53] G.J. Jackson, D.P. Woodruff, R.G. Jones, N.K. Singh, A.S.Y. Chan, B.C.C. Cowie, V. Formoso, Phys. Rev. Lett. 84 (2000) 119. [54] S.M. Driver, D.P. Woodruff, Surf. Sci. 457 (2000) 11.
URI:	http://wrap.warwick.ac.uk/id/eprint/2975