Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects

Abstract

This study presents a systematic detailed experimental and theoretical investigation of the electronic properties of size-controlled free and γ-Al₂O₃-supported Pt nanoparticles (NPs) and their evolution with decreasing NP size and adsorbate (H₂) coverage. A combination of in situ X-ray absorption near-edge structure (XANES) and density functional theory (DFT) calculations revealed changes in the electronic characteristics of the NPs due to size, shape, NP–adsorbate (H₂) and NP–support interactions. A correlation between the NP size, number of surface atoms and coordination of such atoms, and the maximum hydrogen coverage stabilized at a given temperature is established, with H/Pt ratios exceeding the 1 : 1 ratio previously reported for bulk Pt surfaces.