C₆₀ Fullerene as the Active Site for CO₂ Electroreduction.

ABSTRACT: Fullerene (C₆₀) was considered as a catalyst promoter in various electrochemical reactions, yet its catalytic role in enhancing catalytic performance beyond electron transfer remains a puzzle to chemists. Traditional simulations imply C₆₀'s inertness in CO₂ reduction reaction (CO₂RR) due to weak interaction with COOH* intermediates. Here, according to a pH-field coupled microkinetic model at reversible hydrogen electrode (RHE) scale, we demonstrate that C₆₀ acts as molecular active sites to facilitate the CO₂RR toward CO through a strong binding to COOH* in the electrochemical conditions. This binding is mainly due to the unique structure of C₆₀ that induces large dipole moment changes to stabilize COOH* intermedi

SUBMITTER: Ying SW 

PROVIDER: S-EPMC12455448 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature