The discovery of catalysts involves several methodologies, including:
1. Experimental Screening: This traditional approach involves testing a wide range of materials to identify promising candidates. High-throughput screening techniques have made this process more efficient by allowing simultaneous testing of multiple samples.
2. Computational Modeling: Advances in computational chemistry and machine learning have enabled researchers to predict the performance of potential catalysts before synthesizing them. These methods can significantly reduce the time and cost associated with experimental screening.
3. Rational Design: This approach uses knowledge of reaction mechanisms and catalyst properties to design new catalysts with desired characteristics. By understanding the relationship between a catalystâs structure and its activity, researchers can make informed decisions about which modifications to make.
