Dresden 2011 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 13: Solid / liquid interfaces I
O 13.1: Vortrag
Montag, 14. März 2011, 15:00–15:15, WIL B321
On the Nature of the Pt(111)/H2SO4 Interface: A DFT Study — •Aleix Comas-Vives, Jochen Bandlow, and Timo Jacob — Institut für Elektrochemie, Universität Ulm, Albert-Einstein-Allee 47, D-89069 Ulm, Deutschland
Anion adlayers such as SO42− are influencing the adsorption and desorption processes on electrode surfaces, their properties, and the kinetics of electrochemical reactions.[1] Due to these effects (bi)sulfate-induced changes on the morphology of electrodes under electrochemical conditions have been investigated by surface-sensitive in situ and electrochemical techniques. However, the structure and composition of the adsorbed anion layer as well as the influence of possible co-adsorbates is still not completely understood. Motivated by our studies on the Au(111)/H2SO4 interface,[2,3] the aim of this work was to extend these investigations to Pt electrodes. Focusing on the well established √3×√7 R19.1∘ adlayer periodicity, we performed DFT studies on sulfate/bisulfate co-adsorbed with different amounts of water and/or hydronium molecules. Besides structural and stability information, we used the charge density distribution of the most stable adlayers to propose distance tunneling spectroscopy profiles, providing the basis for upcoming experimental studies.
O. M. Magnussen, Chem. Rev., 102, 679 (2002).
[2] S. Venkatachalam, T. Jacob, Z. Phys. Chem., 221, 1393 (2007).
[3] F. C. Simeone, D. M. Kolb, S. Venkatachalam, T. Jacob, Angew. Chem. Int. Ed., 46, 8903 (2007).