Descriptors for Electrochemical CO₂ Reduction in Imidazolium-Based Electrolytes.

ABSTRACT: Electrochemical CO₂ reduction (CO₂R) allows us to close the carbon cycle and store intermittent renewable energy into chemical products. Among these, syngas, a mixture of hydrogen and carbon monoxide, is particularly valuable due to its high market share and the low energy required for its electrocatalytic production. In addition to catalyst optimization, lately, electrolyte modifications to achieve a suitable CO/H₂ ratio have also been considered. Ionic liquid (IL)-based electrolytes have enabled high faradaic efficiency toward CO, depending on the chemical properties of the IL. In this work, we rationalized through density functional theory (DFT) descriptors the competition between hydrogen evolution (HER) and CO₂R on silver in imidazolium-base

SUBMITTER: Dattila F 

PROVIDER: S-EPMC11536349 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature