Copper cluster regulated by N, B atoms for enhanced CO₂ electroreduction to formate

Area of Science:

• Electrochemistry
• Materials Science
• Catalysis

Background:

• Electrochemical CO2 conversion offers a pathway for renewable energy storage and CO2 utilization.
• Copper-based catalysts typically produce CO, limiting formate production.
• Developing selective catalysts is crucial for efficient CO2 valorization.

Purpose of the Study:

• To develop a highly selective catalyst for electrochemical CO2 reduction to formate.
• To investigate the role of B, N co-doped carbon and Zn2+ in enhancing catalyst performance.
• To understand the mechanism behind improved formate selectivity.

Main Methods:

• Fabrication of Cu clusters integrated with B, N co-doped carbon (Cu/BN-C) using Zn2+ ions.
• Electrochemical characterization of CO2 reduction reactions.
• Density Functional Theory (DFT) calculations to elucidate catalytic mechanisms.

Main Results:

• The Cu/BN-C catalyst achieved a Faradaic efficiency (FE) of up to 70% for formate production.
• Partial current density (jformate) exceeded 20.8 mA cm-2 at -1.0 V vs RHE.
• High performance was maintained over a 12-hour period, outperforming other catalysts.

Conclusions:

• The synergistic effect between Cu clusters and N, B atoms in the porous carbon matrix enhances charge transfer and formate selectivity.
• The catalyst demonstrates significant potential for efficient CO2 conversion into valuable formate.
• DFT calculations confirm the preferential adsorption of HCOO* intermediates, favoring formate formation.