My research focuses on the theoretical investigation of the electrochemical CO2 reduction reaction (CO2RR) over MXenes. The main goal of my research is to find materials that can efficiently and selectively reduce CO2 toward valuable chemicals, with a focus on C2+ products. To this end, I perform density functional theory (DFT) calculations to gain insights into thermodynamically stable surface structures and reaction pathways, evaluated through free-energy diagrams and descriptor-based analysis.

In addition to electrocatalysis, I am also interested in modeling thermocatalytic processes using DFT calculations and multiscale modeling techniques.

My position is funded by the NRW Return Grant from the Federal State of North Rhine-Westphalia (NRW), which was awarded to Prof. Exner.