Pathways to enhance electrochemical CO<sub>2</sub> reduction identified through direct pore-level modeling
Evan F. Johnson, Etienne Boutin, Shuo Liu, Sophia Haussener
Abstract
CO 2 reduction in gas diffusion electrodes is modeled using direct numerical simulation, with species transport resolved in 2D throughout the catalyst layer, including steric effects. Modeling yields numerous ways to optimize GDE performance.
Topics & Concepts
Reduction (mathematics)ElectrochemistryMaterials scienceComputer scienceChemistryElectrodeMathematicsPhysical chemistryGeometryCO2 Reduction Techniques and CatalystsIonic liquids properties and applicationsMachine Learning in Materials Science