Studying real catalytic systems requires a combination of experimental techniques and theoretical methods:
Spectroscopy techniques such as X-ray absorption and infrared spectroscopy allow for in situ or operando analysis of catalysts under working conditions. Computational modeling and simulations help predict catalyst behavior and identify key interactions at the atomic level. Advanced microscopy, including electron microscopy, provides insights into the morphology and atomic structure of catalysts. Kinetic studies and mechanistic investigations help delineate the pathways and rate-determining steps involved in catalysis.