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Updated: May 20, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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Published on: April 10, 2018

Enhanced Electrocatalytic Carbon Dioxide Reduction Activity via Local Charge Environment Regulation of Active Sites

Xinxia Li¹, Zhou Fang¹, Xin Feng¹

¹College of Electromechanical Engineering, Shandong Engineering Laboratory for Preparation and Application of High-performance Carbon-Materials, Qingdao University of Science & Technology, Qingdao, Shandong 266061, China.

Inorganic Chemistry

|May 6, 2025

Summary

Modifying covalent organic frameworks (COFs) with electron-withdrawing groups enhances CO2 reduction reaction (CO2RR) catalysis. This strategy optimizes active site charge for improved performance.

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A Dual-Functional Electroactive Filter Towards Simultaneously SbIII Oxidation and Sequestration

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Published on: December 5, 2019

Area of Science:

Materials Science
Electrochemistry
Catalysis

Background:

Covalent organic frameworks (COFs) are emerging electrochemical catalysts for CO2 reduction reaction (CO2RR).
Tuning the local charge environment of active sites is crucial for optimizing COF catalytic performance.

Purpose of the Study:

Investigate the effect of local charge environment regulation on COF catalytic performance for CO2RR.
Examine Gibbs free-energy changes for CO2RR and hydrogen evolution reaction (HER) on COF366-Co derivatives.

Main Methods:

Theoretical examination of elementary reaction steps in CO2RR and HER.
Analysis of COF structure modification through incorporation of electron-donating and electron-withdrawing groups.

Main Results:

Electron-donating groups increase the valence band maximum (VBM) and charge distribution on the Co center.
Electron-withdrawing groups downshift VBM and the Co atom's d-band center, facilitating intermediate electrosorption.
Linker functionalization, especially with electron-withdrawing groups, enhances CO2RR performance.

Conclusions:

Controlled local electrical environments in COFs are key to regulating catalytic activity for CO2RR.
Chemical structure modification of COFs offers a viable strategy for enhancing CO2RR applications.