Guanidine-based biomimetic hydrides for carbon dioxide reduction

Abstract

The feasibility of various bespoke guanidine-based compounds as biomimetic hydrides were assessed by Density Functional Theory (DFT). The results predicted that tricyclic pentanidine hydrides are viable candidates to reduce CO₂ to HCOO⁻ and be regenerated electrochemically, demonstrating a recyclable and sustainable method to achieve metal-free electrochemical reduction of CO₂.