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  3. Engineering Co2 Pre-activation In In-mof For Enhancing Its Electroreduction Activity.
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  3. Engineering Co2 Pre-activation In In-mof For Enhancing Its Electroreduction Activity.

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Engineering CO2 Pre-Activation in In-MOF for Enhancing its Electroreduction Activity.

Tingting Zhan1, Xiuling Ma1, Qinhui Song1

  • 1Fujian Key Laboratory of Polymer Materials, College of Chemistry and Materials Science, Fujian Normal University, Fuzhou, Fujian, China.

Small (Weinheim an Der Bergstrasse, Germany)
|June 11, 2026

View abstract on PubMed

Summary
This summary is machine-generated.

Researchers visualized carbon dioxide (CO2) pre-activation in metal-organic frameworks (MOFs) for electrocatalytic CO2 reduction (ECR). A bent CO2 configuration in FJU-350 MOF significantly enhanced ECR performance, offering a strategy for catalyst design.

Keywords:
CO2 adsorptionCO2 electroreductionCO2 pre‐activationelectrocatalysismetal‐organic framework

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Electrocatalytic CO2 reduction (ECR) efficiency depends on CO2 adsorption and pre-activation.
  • Direct structural evidence correlating CO2 pre-activation extent with ECR performance is lacking.

Purpose of the Study:

  • To visualize distinct CO2 pre-activation configurations using crystalline model catalysts.
  • To unravel the critical role of CO2 pre-activation in ECR performance.
  • To establish a correlation between CO2 pre-activation and electroreduction outcomes.

Main Methods:

  • Utilized two Indium-based Metal-Organic Frameworks (In-MOFs), FJU-350 and FJU-351, as crystalline model catalysts.
  • Employed single-crystal X-ray diffraction to analyze CO2 adsorption configurations.
  • Conducted theoretical calculations to confirm charge transfer and energy barrier effects.

    • Main Results:

    • FJU-350 demonstrated superior ECR performance (90.9% FEformate at -1.4 V vs. RHE) compared to FJU-351 (88.6% at -1.6 V).
    • FJU-350 stabilized a uniquely bent CO2 species (127.2°) via a polarized carboxyl-oxygen site, indicating pronounced pre-activation.
    • FJU-351 accommodated near-linear CO2 (≥153.3°) through delocalized π-interactions, lacking directed pre-activation sites.

    Conclusions:

    • Distinct structural microenvironments in In-MOFs dictate CO2 pre-activation configurations.
    • A highly distorted, bent CO2 configuration significantly facilitates charge transfer and lowers energy barriers for ECR.
    • Precise micro-environment engineering of catalysts is a strategic approach for designing efficient electrocatalytic CO2 reduction systems.