Topic: Design and Advanced Characterization of Catalysts

The integration of catalyst design and advanced characterization is crucial for developing highly efficient and selective catalytic systems in energy conversion, environmental protection, and chemical synthesis. Catalyst design involves the precise control of composition, morphology, and electronic structure at the atomic or molecular level to optimize performance. Strategies such as nanoengineering, alloying, and the development of metal-organic frameworks (MOFs) enable the creation of catalysts with tailored active sites and enhanced stability. In addition, theoretical calculations, such as Density Functional Theory (DFT), play a vital role in predicting optimal structures and reaction pathways, guiding experimental synthesis.

To understand and further improve catalytic performance, advanced characterization techniques provide detailed insights into catalyst structure, composition, and surface properties. Traditional methods such as X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) are widely used to probe phase composition, nanostructure, and electronic states. Furthermore, emerging techniques, including environmental transmission electron microscopy (ETEM), in situ/operando nuclear magnetic resonance (NMR), and synchrotron-based X-ray and neutron scattering, allow real-time monitoring of catalysts under working conditions. These approaches are essential for revealing active site evolution, reaction mechanisms, and deactivation pathways.

By integrating rational catalyst design with advanced experimental characterization and theoretical modeling, this Special Issue aims to highlight the latest breakthroughs in catalytic science. We welcome original research articles, reviews, short communications, and other contributions that offer novel perspectives or significant advances in these areas.