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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, 9052Ghent, 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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