TY - JOUR
T1 - The adsorption of aromatics on sp-metals: Benzene on Al(111)
AU - Duschek, R
AU - Mittendorfer, Florian
AU - Blyth, R I R
AU - Netzer, Falko P.
AU - Hafner, Juergen
AU - Ramsey, Michael G.
N1 - Coden: CHPLB
Affiliations: Institut für Experimentalphysik, Karl-Franzens-Univ. Graz, A-8010, Graz, Austria; Inst. Materialphysik Ctr. Compl. M., Universität Wien, A-1090, Vienna, Austria
Adressen: Duschek, R.; Institut für Experimentalphysik; Karl-Franzens-Univ. Graz, A-8010 Graz, Austria
Import aus Scopus: 2-s2.0-0001833775
22.10.2007: Datenanforderung 1935 (Import Sachbearbeiter)
22.10.2007: Datenanforderung 1936 (Import Sachbearbeiter)
PY - 2000
Y1 - 2000
N2 - We have studied the adsorption of benzene on Al(111) using angle-resolved ultraviolet photoelectron, high-resolution electron energy loss, and thermal desorption spectroscopies (ARUPS, HREELS, and TDS, respectively), work function measurements, and by density functional theory (DFT) calculations using the ab-initio VASP code. The analysis of ARUPS and HREELS spectra of a benzene monolayer unambiguously indicate C6v symmetry and a weak benzene-Al interaction in an adsorption geometry with the ring plane parallel to the surface. The weak interaction is confirmed by TDS. The DFT calculations indicate an electrostatic bond and yield an average benzene-Al(111) distance of 3.7 Å. A weak minimum of the potential energy is observed at the hollow adsorption position.
AB - We have studied the adsorption of benzene on Al(111) using angle-resolved ultraviolet photoelectron, high-resolution electron energy loss, and thermal desorption spectroscopies (ARUPS, HREELS, and TDS, respectively), work function measurements, and by density functional theory (DFT) calculations using the ab-initio VASP code. The analysis of ARUPS and HREELS spectra of a benzene monolayer unambiguously indicate C6v symmetry and a weak benzene-Al interaction in an adsorption geometry with the ring plane parallel to the surface. The weak interaction is confirmed by TDS. The DFT calculations indicate an electrostatic bond and yield an average benzene-Al(111) distance of 3.7 Å. A weak minimum of the potential energy is observed at the hollow adsorption position.
U2 - 10.1016/S0009-2614(99)01457-8
DO - 10.1016/S0009-2614(99)01457-8
M3 - Article
SN - 0009-2614
VL - 318
SP - 43
EP - 48
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -