Catalyst design for enhanced sustainability through fundamental surface chemistry

Area of Science:

• Materials Science and Engineering
• Chemical Engineering
• Catalysis

Background:

• The chemical industry is a major energy consumer, necessitating sustainable practices.
• Catalysts are crucial for chemical transformations, driving the need for energy-efficient processes.
• Developing novel catalysts is essential for reducing the chemical industry's energy footprint.

Purpose of the Study:

• To outline an integrated approach for designing efficient catalysts.
• To highlight nanoporous gold (npAu) as a highly active catalyst for alcohol oxidation.
• To explain the principles governing npAu reactivity and predict new reaction pathways.

Main Methods:

• Integrated approach combining fundamental experimental studies and theoretical modeling.
• Surface science studies on gold (Au) single crystals and silver-gold (AgAu) thin-film alloys.
• Evaluation of materials under working catalytic conditions.

Main Results:

• Identified weak van der Waals interactions as critical for the selectivity of Au-based catalysts, including npAu.
• Demonstrated the high activity of npAu for selective oxidative transformation of alcohols.
• Enabled prediction of new reactive pathways on nanoporous gold.

Conclusions:

• An integrated experimental and theoretical approach is effective for catalyst design.
• Nanoporous gold (npAu) exhibits high selectivity and activity due to specific electronic properties.
• Understanding fundamental principles guides the development of next-generation catalysts for sustainable chemical production.