Design: Computational methods and theoretical models are used to predict the properties and performance of potential catalysts. This can include density functional theory (DFT) calculations and molecular dynamics simulations.
Synthesis: Once promising candidates are identified, they are synthesized using various chemical techniques. This can involve methods like sol-gel processes, hydrothermal synthesis, and chemical vapor deposition.
Characterization: The synthesized materials are then characterized using techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and nuclear magnetic resonance (NMR) spectroscopy to determine their structure, composition, and properties.
Testing: The catalytic performance of the new materials is evaluated through experimental reactions. Parameters like activity, selectivity, stability, and recyclability are measured to determine their effectiveness.
Optimization: Based on the testing results, the catalyst design and synthesis methods may be refined to improve performance. This iterative process continues until a highly effective catalyst is developed.
