Substrate-Adapted Active Site Self-Evolving Reconfiguration Boosting Catalytic Effect on Acetylene Semihydrogenation

Area of Science:

• Heterogeneous Catalysis
• Materials Science
• Chemical Engineering

Background:

• Developing catalysts with adaptable active sites is crucial for efficient chemical transformations.
• Conventional catalyst preparation involves iterative design, synthesis, and evaluation, which is time-consuming.
• Achieving dynamic active site adaptability remains a significant challenge in catalysis.

Purpose of the Study:

• To demonstrate a self-evolving reconfiguration strategy for constructing adaptive multi-molecular activation catalysts.
• To develop a catalyst for acetylene semi-hydrogenation with improved performance and durability.
• To overcome limitations of conventional catalyst preparation methods.

Main Methods:

• Utilized a metastable copper single atom (Cu1) precursor as a structural seed.
• Applied moderate operational conditions to induce catalyst reconstruction and active site reconfiguration.
• Employed reactants as the medium to drive the self-evolving reconfiguration process.
• Investigated the formation of cooperative Cu1 and copper nanocluster (Cun) ensemble sites.

Main Results:

• The catalyst spontaneously reconfigured into an adaptive multi-molecular activation catalyst.
• Created cooperative Cu1 and Cun ensemble sites with dynamic active configurations.
• Achieved 100% acetylene conversion with 96% ethylene selectivity at 120 °C.
• Demonstrated robust catalyst durability exceeding 30 hours.

Conclusions:

• The self-evolving reconfiguration strategy enables the spontaneous construction of adaptive catalysts.
• The developed catalyst exhibits superior performance in acetylene semi-hydrogenation compared to conventional copper-based catalysts.
• This approach offers a new paradigm for intelligent catalyst engineering and design.