Several methods are used to identify active sites, including:
Spectroscopic Techniques: Methods like X-ray photoelectron spectroscopy (XPS), infrared spectroscopy (IR), and nuclear magnetic resonance (NMR) help in analyzing the surface composition and electronic states of the active sites. Microscopy Techniques: Techniques such as transmission electron microscopy (TEM) and scanning tunneling microscopy (STM) provide detailed images of the catalyst surface, allowing the visualization of active sites. Computational Methods: Density functional theory (DFT) and molecular dynamics simulations help predict the location and activity of active sites by modeling the interactions at a molecular level. Isotopic Labeling: By using isotopically labeled reactants, researchers can trace the pathway of the reaction and pinpoint the active sites.
