Constructing Tunable Strain-Engineered CdS Catalyst toward High Selective CO₂-to-CO Electroreduction

Area of Science:

• Materials Science
• Electrochemistry
• Catalysis

Background:

• Designing efficient electrocatalysts requires understanding how strain affects active sites and adsorption.
• Precisely controlling local microstrain to tune catalyst properties is a significant challenge.

Purpose of the Study:

• To develop a method for constructing electrocatalysts with tunable microstrain environments.
• To investigate the impact of microstrain on the electronic structure and CO2 adsorption of CdS-based catalysts.

Main Methods:

• Synthesized C, N-incorporated CdS with varying microstrain levels by treating Cd3(C3N3S3)2 coordination polymers at different hydrothermal temperatures.
• Utilized theoretical analysis to study the electronic structure and adsorption mechanisms.
• Evaluated catalyst performance for electrochemical CO2 reduction to CO.

Main Results:

• Tunable microstrain was achieved in C, N-incorporated CdS, influencing electronic properties.
• Embedded carbon atoms induced tensile strain and enhanced electron localization at Cd sites.
• Strain engineering significantly strengthened *COOH adsorption, a key step in CO2 reduction.
• The optimized CdTMT-170 catalyst demonstrated ≈100% Faradaic efficiency for CO2 to CO conversion at high current density.

Conclusions:

• Strain engineering is an effective strategy for designing advanced electrocatalysts.
• The developed method allows precise control over the microstrain environment of active centers.
• This approach holds promise for developing highly efficient catalysts for CO2 reduction.