ACS Applied Materials & Interfaces · 2024 · 19 citations · 55 references
Natural SciencesChemical EngineeringChemistryCatalysisSurface ChemistrySurface ScienceCatalyst StabilityCatalyst SynthesisCatalytic MaterialsSupported CatalystsSurface CatalysisSurface ReactivityCatalyst Surface StructureCatalyst-support InteractionsCatalytic ActivityDry ReformingInterfacial Reaction MechanismsMetal CatalystsMetal-support InteractionsSupported Metal Catalysts
Interfacial metal–support interaction (MSI) significantly affects the dispersion of active metals on the surface of the catalyst support and impacts catalyst performance. Understanding MSI is crucial for developing highly active and stable catalysts with a low metal loading, particularly for noble metal catalysts. In this work, we synthesized LaRu x Cr 1– x O 3 catalysts with low Ru loading ( x = 0.005, 0.01, and 0.02) using the sol–gel self-combustion method. We found that all of the Ru atoms immediately above or below the metal–support interface are closely bonded to the perovskite LaCrO 3 surface lattice through Ru–O bonds, enhancing the MSI via interfacial reaction and charge transfer mechanisms. We identified a variety of Ru species, including small 3D Ru nanoparticles, 2D dispersed Ru surface atoms, and even 0D Ru single atoms. These highly dispersed Ru species exhibit high activity and stability under dry reforming of methane (DRM) conditions. The LaRu 0.01 Cr 0.99 O 3 catalyst with very low Ru loading (0.42 wt %) was stable over a 50 h DRM test and the carbon deposition was negligible. The CH 4 and CO 2 conversions at 750 °C reached 83 and 86%, respectively, approaching the theoretical thermodynamic equilibrium values.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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Projector augmented-wave method
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