Dresden 2020 – wissenschaftliches Programm
Die DPG-Frühjahrstagung in Dresden musste abgesagt werden! Lesen Sie mehr ...
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
O: Fachverband Oberflächenphysik
O 102: Heterogeneous Catalysis on Metals
O 102.8: Vortrag
Donnerstag, 19. März 2020, 12:30–12:45, TRE Phy
Exploring electrochemical CO2 reduction towards C2+-products beyond copper — •Georg Kastlunger, Hendrik H. Heenen, and Karen Chan — Department of Physics, Technical University of Denmark
Electrochemical reduction of CO2 and CO into high value chemical fuels would represent an ideal candidate for sustainable energy storage and conversion. Its application is, however, limited by the availability of efficient and selective catalysts for the production of longer chain hydrocarbons. To this day, no viable catalyst other than copper based materials lead to reasonable faradaic efficiencies.
In this contribution we present a density functional theory based study which focusses on understanding the general requirements for a catalyst to be viable for the electrochemical production of C2+ products. A larger scale theoretical study of this reaction cascade has historically been limited by the correct description of the crucial C-C coupling step and its potential dependence. Explicitly taking into account this key ingredient, we conducted a volcano type analysis exploring which interplay of the potential dependent binding energy of relevant intermediates opens up the path towards the desired products. Based on the discovered design principles, an alloy screening study going beyond copper will be presented, extending the palette of potential materials for the conversion of CO2 into higher value hydrocarbons.