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Catalyst Design for Sustainable Reactions: A Primer toward Knowledge-Driven Innovation
Pedro S F Mendes1,2, Daniel P Costa2, Jeroen Lauwaert3
1Laboratory for Chemical Technology, Department of Materials, Textiles and Chemical Engineering, Ghent University, Technologiepark 125, 9052 Ghent, Belgium.
This review categorizes catalyst design methodologies, highlighting the need for knowledge-driven approaches. Innovative catalyst design requires kinetic models and catalysis informatics, moving beyond serendipity.
Area of Science:
- Catalysis and Materials Science
- Chemical Engineering
Background:
- Catalyst design is crucial for developing efficient catalysts for sustainable reactions.
- Current methodologies lack fundamental knowledge and clear guidelines, leading to reliance on serendipity in catalyst innovation.
Purpose of the Study:
- To systematically categorize and review existing catalyst design methodologies.
- To provide fundamental knowledge and clear guidelines for applying these methodologies.
- To address the challenge of designing truly innovative catalysts ('out of the box').
Main Methods:
- Systematic review and categorization of catalyst design methodologies.
- Analysis of fundamental principles underlying each methodology.
- Integration of kinetic modeling and catalysis informatics.
Main Results:
- A comprehensive categorization of catalyst design methodologies is presented.
- Fundamentals and guidelines for applying various methodologies are provided.
- The limitations of data-driven approaches without knowledge integration are identified.
Conclusions:
- Truly innovative catalyst design necessitates a knowledge-driven approach.
- Kinetic models and catalysis informatics are essential tools for advanced catalyst design.
- Moving beyond simple fine-tuning requires a deeper understanding and systematic application of methodologies.
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