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Unveiling Long-Range Wavelike Alternately Competitive and Cooperative Bond Coupling Modes in Single-Atom Catalysis
Jun Zhou1, Jiani Jiang1, Yangyang Li2
1Institute of Industry Chemistry, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China.
Support materials significantly impact single-atom catalysts (SACs). This study reveals orbital-level interactions in Ru SACs on oxides, uncovering a wavelike bond coupling mode that explains support effects on catalytic performance.
Area of Science:
- Materials Science
- Surface Chemistry
- Catalysis
Background:
- Support materials critically influence single-atom catalysts (SACs) properties.
- Understanding adsorbate-metal-ligand-support interactions is crucial but not fully elucidated.
Purpose of the Study:
- To reveal orbital-level interaction modes in SACs.
- To understand the fundamental principles of support effects on SACs.
Main Methods:
- Investigated single-atom ruthenium (Ru1) supported on rutile-type oxides (TiO2, SnO2, MnO2).
- Studied CO adsorption and oxidation as a model system.
- Analyzed orbital-level interactions and bond coupling modes.
Main Results:
- Ru1-support binding and CO oxidation activity increased: Ru1/TiO2 < Ru1/SnO2 < Ru1/MnO2.
- CO-Ru1 adsorption strength decreased in the opposite order.
- Interaction trends are governed by the reactivity of surface lattice oxygen atoms.
Conclusions:
- Discovered an alternating competitive and cooperative bond coupling mode in adsorbate-M1-ligand-support systems.
- This wavelike coupling mode provides new insights into support effects and structure-function relationships in SACs.
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