Catalysis generates diverse data types, including:
- Kinetic Data: Information on reaction rates and the influence of various factors like temperature and pressure. - Spectroscopic Data: Insights from techniques such as NMR, IR, and XPS that provide information on the chemical environment and structure of the catalyst. - Computational Data: Results from DFT calculations and molecular dynamics simulations that predict catalytic behavior at the atomic level. - High-throughput Screening Data: Results from automated experiments that test numerous catalyst compositions and conditions rapidly.
