Insight into the Dynamic Evolution of Supported Metal Catalysts by In Situ/Operando Techniques and Theoretical Simulations

Recent progress and perspective on electrocatalysis in neutral media: Mechanisms, materials, and advanced characterizations

“…Reproduced with permission. [259] Copyright 2023, American Chemical Society. (B) Schematic representation of an electrochemical solid-liquid interface at the molecular level.…”

“…With the wide application of various in situ/operando detection technologies, a growing body of experiment phenomena indicate the dynamic evolution of catalysts (Figure 9A), [21,259,263,264] such as in situ Raman spectroscopy, [265] in situ Fourier-transform infrared (FT-IR) spectroscopy, [266] operando XAS, [267] and so forth. The catalyst can be changed along with the electrocatalytic process, indicating that the real active sites are formed in the reaction process, not in the synthesis process.…”

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

“…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.…”

First-Principles Insights into Tungsten Semicarbide-Based Single-Atom Catalysts: Single-Atom Migration and Mechanisms in Oxygen Reduction

“…Understanding the evolution of the active phase in single-atom catalysts (SACs) within catalytic reactions is a crucial prerequisite for unraveling the underlying reaction mechanisms. − Predominantly, two primary evolutionary pathways have been identified for the system under the reaction conditions. In in-site adaptation, this pathway is characterized by modifications in the coordination environment of single atoms under varying reaction conditions.…”