12 December 2023

4D Catalysis Concept Enabled by Multilevel Data Collection and Machine Learning Analysis

The influence of catalysis on the development of modern science and industry cannot be overestimated. Production of pharmaceutical substances and drugs, the oil industry, developments in the field of ecology and material science, and many other areas with a great impact on the world economy are progressing through the active use of catalysts. In the almost two hundred years that have passed since the description of the phenomenon of catalysis, the understanding of the principle of operation of catalysts has developed to a very high degree. Initially, it was assumed that the catalyst remains unchanged in the reaction in which it participates, while it is now well established that catalysis is a dynamic phenomenon in many systems. Catalytically active particles change as the catalyzed reaction proceeds and pass from one phase to another, which often leads to significant changes in catalytic activity and selectivity. In many cases, uncontrolled dynamic changes in the catalytic system lead to degradation and a loss of activity and selectivity. Understanding the mechanisms of the dynamic nature of active centers is very important for designing highly active catalysts, which in turn will have a positive impact on the environment, industry, economics, and numerous other areas.

Reference: ACS Catal., 2024, 14, 161-175.

DOI: 10.1021/acscatal.3c03889