A structural study of a C3H3 species coadsorbed with CO on Pd(111)

• Published in: Surface science Vol. 602; no. 16; pp. 2743 - 2751
• Main Authors: KNIGHT, M. J, ALLEGRETTI, F, KRÖGER, E. A, POLCIK, M, LAMONT, C. L. A, WOODRUR, D. P
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier Science 15-08-2008; Amsterdam; New York, NY
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Exact sciences and technology; Physics; Fine structure; X-ray absorption spectra; Photoelectron diffraction; Transition elements; Coadsorption; Adsorption structure; Palladium; Dissociation; Furan,Hydrocarbons; EXAFS; Surface structure
• ISSN: 0039-6028; 1879-2758
• DOI: 10.1016/j.susc.2008.06.038

The combination of chemical-state-specific C 1s scanned-energy mode photoelectron diffraction (PhD) and O K-edge near-edge X-ray absorption fine structure (NEXAFS) has been used to determine the local adsorption geometry of the coadsorbed C3H3 and CO species formed on Pd(1 1 1) by dissociation of molecular furan. CO is found to adopt the same geometry as in the Pd(1 1 1)c(4 X 2)-CO phase, occupying the two inequivalent three-fold coordinated hollow sites with the C-O axis perpendicular to the surface. C3H3 is found to lie with its molecular plane almost parallel to the surface, most probably with the two 'outer' C atoms in equivalent off-atop sites, although the PhD analysis formally fails to distinguish between two distinct local adsorption sites.