Abstract

By studying the nanocatalysis of individual Pd nanoparticles (Pd NPs) in two shapes (cube with (100) facet and octahedron with (111) facet) with single-turnover resolution, the facet-dependent activities and dynamics were apparently observed. The results indicate that Pd octahedrons possess higher intrinsic catalytic activity per site than Pd nanocubes. Within a competitive Langmuir–Hinshelwood mechanism, the facet-dependent activities are derived at single-particle level, and the facet-dependent adsorption behaviors of substrate molecules on Pd(111) and Pd(100) are revealed and clarified by theoretical calculation. Furthermore, the facet-dependent restructuring behaviors of the particle surfaces were also observed. This study gives deeper insight into Pd-based nanocatalysts.

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