Advancing CO₂ Conversion with Cu-LDHs: A Review of Computational and Experimental Studies

Area of Science:

• Materials Science
• Catalysis
• Electrochemistry
• Photochemistry
• Computational Chemistry

Background:

• Layered Double Hydroxides (LDHs) are adaptable materials with tunable properties.
• LDHs exhibit significant electro- and photo-catalytic activity for carbon dioxide (CO2) activation and conversion.
• LDHs are crucial for sustainable strategies aimed at reducing CO2 emissions.

Purpose of the Study:

• To provide a comprehensive review of experimental and computational studies on LDHs for CO2 conversion.
• To focus on copper-based LDHs due to their high performance in producing C2 products.
• To establish a framework supporting the rational design of tailored LDH materials for CO2 valorization.

Main Methods:

• Review of existing experimental data and computational simulations concerning LDHs in CO2 catalysis.
• Analysis of structure-property relationships in LDHs for catalytic applications.
• Examination of computational and experimental tools applicable to LDH material development.

Main Results:

• Copper-based LDHs demonstrate superior performance in electro- and photo-catalytic CO2 conversion, particularly for C2 product generation.
• A detailed overview of computational and experimental methodologies aids in understanding LDH catalytic mechanisms.
• The intricate structure-property relationships of LDHs are highlighted as key challenges and opportunities for material design.

Conclusions:

• LDHs are pivotal materials for efficient and sustainable CO2 valorization.
• Synergistic experimental and computational approaches are essential for advancing LDH-based CO2 conversion technologies.
• Future research should emphasize the development of novel, tailored LDH materials through integrated study strategies.