Molecular engineering improves catalysts through several approaches, including:
Rational Design: Using computational models to predict the optimal structure and composition of a catalyst. Surface Modification: Altering the surface properties of catalysts to enhance their activity and selectivity. Nanostructuring: Creating catalysts with nanoscale features to increase their surface area and active sites. Ligand Engineering: Designing ligands that can stabilize transition states and intermediates, thereby lowering the activation energy of reactions.