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Configuration Matching Strategy to Control Selectivity in Heterogeneous Catalysis.

Yueqiang Cao1, Xiaohu Ge1, Gang Qian1

  • 1State Key Laboratory of Chemical Engineering and Low-Carbon Technology, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China.

Accounts of Chemical Research
|December 9, 2025
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Summary
This summary is machine-generated.

Achieving high selectivity in heterogeneous catalysis is crucial for efficient chemical production. This study introduces "configuration matching" to precisely control reactant adsorption, enhancing selectivity in hydrogenation and oxidation reactions.

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Area of Science:

  • Heterogeneous catalysis
  • Chemical engineering
  • Materials science

Background:

  • Catalysis is vital for chemical transformations, but achieving high selectivity remains challenging due to complex reaction pathways.
  • Controlling reactant adsorption configurations on catalyst surfaces is key to directing reaction outcomes.
  • Existing methods struggle to precisely tune active sites for desired adsorption modes.

Purpose of the Study:

  • To present a design principle called "configuration matching" for enhancing selectivity in heterogeneous catalysis.
  • To demonstrate how manipulating adsorption configurations can improve efficiency in hydrogenation, oxidation, and hydrogenolysis.
  • To highlight strategies for different substrate classes, including alkynes, polyfunctional molecules, and aromatics.

Main Methods:

  • Utilizing site isolation to enlarge metal-metal distances, enforcing π-adsorption for alkyne hydrogenation.
  • Employing metal-oxide interfaces to selectively anchor functional groups in polyfunctional molecules.
  • Applying nanopore confinement and porous overlayers to control orientation and diffusion for aromatic/cyclic molecules.

Main Results:

  • Achieved high selectivity in acetylene hydrogenation to ethylene by preventing overhydrogenation.
  • Demonstrated selective transformations of glycerol and dimethyl oxalate using tailored metal-oxide interfaces.
  • Engineered catalysts using confinement effects for selective hydrodeoxygenation and partial hydrogenation of aromatics.

Conclusions:

  • Configuration matching offers a systematic approach to control selectivity in heterogeneous catalysis.
  • Tailoring active sites to substrate adsorption configurations significantly improves reaction efficiency.
  • This strategy provides a robust framework for designing catalysts for diverse chemical transformations.