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O: Fachverband Oberflächenphysik

O 69: Poster: Solid-Liquid Interfaces

O 69.3: Poster

Mittwoch, 29. März 2023, 18:00–20:00, P2/EG

Electric Double Layer effect on outer-sphere benzyl halides electro-reduction mechanism — •Aleksandr Kramarenko¹, Felix Studt¹, and Evgeny Pidko² — ¹Karlsruhe Institute of Technology, Karlsruhe, Germany — ²TU Delft, Delft, The Netherlands

Electrocatalytic CO2 fixation is one of the most efficient methods of carbon dioxide conversion, which can be carried out at room temperature and pressure. Thus, the fixation of carbon dioxide with electrochemically activated benzyl halides is an environmentally friendly and ambitious method for the synthesis of the most important carboxylic acid derivatives, which are invaluable for pharmaceuticals and fuel production. For these types of processes, electrocatalysis is a key technology, where electrified interfaces are the main object of study and where the electrochemical potential determines the stability of adsorbed particles and the structure of the electric double layer (EDL) on the electrode surface. Therefore, it is important to gain insight into the electrode-electrolyte interface and the rate-determining reaction steps in order to improve electrode material selectivity and product yields. The combination of first principles and molecular dynamics simulations gives us a good understanding at the molecular level of charged interface phenomena and allows us to study elementary chemical processes in detail, which sheds light on how to improve electrocatalytic reactivity.