CORDIS Project
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This project focuses on computer modeling to enhance the electrocatalytic reduction of carbon dioxide to oxalic acid using ionic liquids. It aims to establish selectivity criteria and develop a novel double-site catalyst model to improve catalytic activity through advanced computational methods.
This project is about computer modeling of the electrocatalytic CO2 reduction to oxalic acid in ionic liquids.
My objectives are (1) defining the selectivity criteria, (2) developing original double-site model, and (3) significant improvement of the computational method. I will start with the computational method developed in the host group and then augment the approach basing on my vast experience in modeling ionic liquid at interfaces. I also propose an original double-site catalyst model to o…
KOBENHAVNS UNIVERSITET
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