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.
Authors
- Yaqiong Su (ORCID: https://orcid.org/0000-0001-5581-5352)
- Ying Yang (ORCID: https://orcid.org/0000-0003-1815-4991)
- Ya-Long Ding (ORCID: https://orcid.org/0000-0002-3287-1375)
- Hu Li (ORCID: https://orcid.org/0000-0003-3604-9271)
- Hua‐Qin Wang
- Heyu Sui
Institutions
- Guizhou University (CN)
- Huanghuai University (CN)
- Green Chemistry (PL)
- Pharmaceutical Biotechnology (Czechia) (CZ)
- Xi'an Jiaotong University (CN)
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