Unravelling CO adsorption on model single-atom catalysts

Abstract

Understanding how the local environment of a single-atom catalyst affects stability and reactivity remains a significant challenge. We present an in-depth study of Cu1, Ag1, Au1, Ni1, Pd1, Pt1, Rh1, and Ir1 species on Fe3O4(001); a model support where all metals occupy the same 2-fold coordinated adsorption site upon deposition at room temperature. Surface science techniques revealed that CO adsorption strength at single metal sites differs from the respective metal surfaces and supported clusters. Charge transfer into the support modifies the d-states of the metal atom and the strength of the metal-CO bond. These effects could strengthen the bond (as for Ag1-CO) or weaken it (as for Ni1-CO), but CO-induced structural distortions reduce adsorption energies from those expected based on electronic structure alone. The extent of the relaxations depends on the local geometry and could be predicted by analogy to coordination chemistry.

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Cited by in corpus (8)

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• Cluster Catalysis with Lattice Oxygen: Tracing Oxygen Transport from a Magnetite(001) Support onto Small Pt Clusters
• Standardization of chemically selective atomic force microscopy for metal-oxide surfaces
• Mechanism of spin ordering in Fe${}_3$O${}_4$ nanoparticles by surface coating with organic acids
• Digging its own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst
• Single-Atom Catalysis: An Opportunity For Surface Science
• A Multi-Technique Study of C2H4 Adsorption on a Model Single-Atom Rh1 Catalyst