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O: Fachverband Oberflächenphysik

O 60: Solid-Liquid Interfaces I: Structure and Spectroscopy

O 60.8: Vortrag

Mittwoch, 29. März 2023, 16:45–17:00, TRE Phy

Resolving the structure of Cu(100) in iodine containing solutions — •Nicolas G. Hörmann, Nicolas Bergmann, Karsten Reuter, Beatriz Roldán Cuenya, Georg H. Simon, and Christopher S. Kley — Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany

We present results from our joint experimental and theoretical effort to identify the structure of iodine adlayers on Cu(100) in electrochemical environment – a first step towards understanding the origin of the influence of iodine on the electrocatalytic carbon dioxide reduction (CO2RR) on Cu. In particular, we resolve stable interface structures as a function of the potential by a detailed analysis of theoretical predictions from density functional theory calculations and in-situ EC-AFM measurements. These results are complemented by the comparison of experimental and theoretically simulated Cyclic Voltammograms [1,2], which provide additional information on electrosorption reactions and thereby the interface composition as a function of the potential.

[1] N.G. Hörmann et al., J. Chem. Theory Comput. 17(3), 1782-1794 (2021). [2] N.G. Hörmann et al., J. Phys. Condens. Matter. 33, 264004 (2021).