Tailoring CO<sub>2</sub> Adsorption Configuration with Spatial Confinement Switches Electroreduction Product from Formate to Acetate

Multi-proton-coupled electron transfer, multitudinous intermediates, and unavoidable competing hydrogen evolution reaction during CO<sub>2</sub> electroreduction make it tricky to control high selectivity for specific products. Here, we present spatial confinement of Fe single atoms (FeN<sub>2</sub>S<sub>2</sub>) by adjacent FeS clusters (Fe<sub>4</sub>S<sub>4</sub>) to orientate the transition of CO<sub>2</sub> adsorption configuration from C,O-side to O-end, which triggers a shift of activated CO<sub>2</sub> from first-step protonation to C-C coupling, thus switching the target product from HCOOH in high Faraday efficiency (FE: 90.6%) on FeN<sub>2</sub>S<sub>2</sub> to CH<sub>3</sub>COOH (FE: 82.3%) on Fe<sub>4</sub>S<sub>4</sub>/FeN<sub>2</sub>S<sub>2</sub>. The adsorption strength of *OCHO upon the solitary FeN<sub>2</sub>S<sub>2</sub> site is linearly related to the coordination number of Fe-S, with HCOOH predominantly produced over single-atom FeN<sub>2</sub>S<sub>2</sub> (ortho-substituted S atoms). Fe<sub>4</sub>S<sub>4</sub> cluster functions as a switch for a specific reduction product, which can not only optimize the spatial and electronic structure of the neighboring FeN<sub>2</sub>S<sub>2</sub> but also impel complete reduction of CO<sub>2</sub> to the hydrocarbon intermediate *CH<sub>3</sub>, followed by coupling of CO<sub>2</sub>* and *CH<sub>3</sub> via the single-atom cluster synergistic catalysis of Fe<sub>4</sub>S<sub>4</sub>/FeN<sub>2</sub>S<sub>2</sub>. This spatial confinement strategy provides a new avenue to modulate the reactant adsorption model for desirable reaction pathways, with potential applications in diverse multistep electrochemical processes of controlled selectivity.

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Publication Details

Journal
Journal of the American Chemical Society
Published
2025-02-05
DOI
https://doi.org/10.1021/jacs.4c17295
Citations
38
Primary Topic
CO2 Reduction Techniques and Catalysts
Type
article
Field-Weighted Citation Impact
13.81
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article

Tailoring CO2 Adsorption Configuration with Spatial Confinement Switches Electroreduction Product from Formate to Acetate

Yaqiong Su, Ying Yang, Ya-Long Ding, Hu Li et al.
38 citations
Journal of the American Chemical Society
CO2 Reduction Techniques and Catalysts
13.81
article

Tailoring CO2 Adsorption Configuration with Spatial Confinement Switches Electroreduction Product from Formate to Acetate

Yaqiong Su, Ying Yang, Ya-Long Ding, Hu Li, Hua‐Qin Wang, Heyu Sui
article en
38 citations

Abstract

Multi-proton-coupled electron transfer, multitudinous intermediates, and unavoidable competing hydrogen evolution reaction during CO<sub>2</sub> electroreduction make it tricky to control high selectivity for specific products. Here, we present spatial confinement of Fe single atoms (FeN<sub>2</sub>S<sub>2</sub>) by adjacent FeS clusters (Fe<sub>4</sub>S<sub>4</sub>) to orientate the transition of CO<sub>2</sub> adsorption configuration from C,O-side to O-end, which triggers a shift of activated CO<sub>2</sub> from first-step protonation to C-C coupling, thus switching the target product from HCOOH in high Faraday efficiency (FE: 90.6%) on FeN<sub>2</sub>S<sub>2</sub> to CH<sub>3</sub>COOH (FE: 82.3%) on Fe<sub>4</sub>S<sub>4</sub>/FeN<sub>2</sub>S<sub>2</sub>. The adsorption strength of *OCHO upon the solitary FeN<sub>2</sub>S<sub>2</sub> site is linearly related to the coordination number of Fe-S, with HCOOH predominantly produced over single-atom FeN<sub>2</sub>S<sub>2</sub> (ortho-substituted S atoms). Fe<sub>4</sub>S<sub>4</sub> cluster functions as a switch for a specific reduction product, which can not only optimize the spatial and electronic structure of the neighboring FeN<sub>2</sub>S<sub>2</sub> but also impel complete reduction of CO<sub>2</sub> to the hydrocarbon intermediate *CH<sub>3</sub>, followed by coupling of CO<sub>2</sub>* and *CH<sub>3</sub> via the single-atom cluster synergistic catalysis of Fe<sub>4</sub>S<sub>4</sub>/FeN<sub>2</sub>S<sub>2</sub>. This spatial confinement strategy provides a new avenue to modulate the reactant adsorption model for desirable reaction pathways, with potential applications in diverse multistep electrochemical processes of controlled selectivity.

Journal of the American Chemical SocietyVol. 147(7)
Guizhou University (CN), Huanghuai University (CN), Green Chemistry (PL), Pharmaceutical Biotechnology (Czechia) (CZ), Xi'an Jiaotong University (CN)
Openalex Percentile: Top 1%
CO2 Reduction Techniques and Catalysts
13.81
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