J Mol Graph Model
January 2025
This article delves into the impact of nanoparticle shape on CO chemisorption and the reactivity of Pt nanocatalysts supported on reduced TiO(110). Distinct reactivity in carbon monoxide adsorption is observed among nanoparticles, all composed of 13 platinum atoms but varying in shape. The calculated formation and CO adsorption energies are correlated to the electronic properties of the system and the oxidation states of the Pt atoms involved.
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