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O: Fachverband Oberflächenphysik

O 51: Frontiers of Electronic-Structure Theory: Focus on the Interface Challenge V (joint session O/CPP/DS/TT)

O 51.1: Topical Talk

Mittwoch, 3. April 2019, 10:30–11:00, H9

Theoretical Investigations of Electrochemical CO2 Reduction — •Karen Chan — Department of Physics, Technical University of Denmark

The electroreduction of CO₂ has the potential to store energy from intermittent renewable sources and to produce carbon-neutral fuels and chemicals; In this talk, I will discuss new developments in modeling the electrochemical interface. I will then present the application of these models of the interface to CO₂ reduction: the determination of reaction pathways and kinetics on transition metals, field and solvation effects, pH effects on C₂ product selectivity, and implications for catalyst design.