Several key components are integral to the rational design of catalysts:
Active Sites: Identifying the specific sites on the catalyst where the reaction occurs. Reaction Pathways: Understanding the sequence of steps that lead from reactants to products. Electronic Structure: Analyzing how the electronic properties of the catalyst influence its reactivity. Support Materials: The choice of support material can affect the dispersion, stability, and activity of the active sites. Kinetics and Thermodynamics: Studying the rates of reaction and the energy changes associated with catalytic processes.
