Sustainable and efficient production pathways for multi-carbon products via CO2 electrosynthesis: catalyst surface and interface engineering

Abstract

The electrocatalytic reduction of carbon dioxide (CO₂) to multi-carbon (C₂₊) products represents a promising route for sustainable chemical synthesis and carbon neutrality. However, the efficiency and selectivity of C–C coupling remain major challenges. This review provides a comprehensive and multidimensional overview of recent advances in enhancing C₂₊ yield through rational catalyst design, reaction environment modulation, and reaction pathway engineering, with a particular emphasis on sustainable strategies. We highlight that atomic-level active site engineering, nanostructure control, support interactions, and heteroatom doping can optimize intermediate adsorption and facilitate C–C coupling. Beyond catalysts, we discuss sustainable reaction systems, including electrolyte optimization, advanced reactor design, and external field assistance that synergistically improve selectivity and energy efficiency. The integration of theoretical simulations and operando characterization offers deep mechanistic insights into dynamic catalyst behavior under working conditions. We further outline future directions for achieving industrially viable and sustainable CO₂ electroreduction, underscoring the role of interdisciplinary approaches in advancing carbon-neutral technologies.