Adsorption of ethene on Pt(1 1 1) and ordered PtxSn/Pt(1 1 1) surface alloys: A comparative HREELS and DFT investigation

The adsorption of ethene (C2H4) on Pt(1 1 1) and the Pt3Sn/Pt(1 1 1) and Pt2Sn/Pt(1 1 1) surface alloys has been investigated experimentally by high-resolution electron energy loss spectroscopy and temperature programmed desorption. The experimental results have been compared with density functional theory (DFT) calculations allowing us to perform a complete assignment of all vibration modes and loss features to the species present on the surfaces. On Pt(1 1 1) as well as on the Pt–Sn surface alloys an η2 di-σ-bonded conformation of ethene has been found to be the most stable adsorbed form. In addition to this majority species a minor amount of π-bonded ethene has been identified, which is more abundant on the Pt2Sn surface alloy than on the other surfaces. Additionally the HREELS spectra of ethene on Pt(1 1 1) and the Pt–Sn surface alloys differ only slightly in terms of the energetic positions of the loss peaks.