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Abstract This study analyzed the icosahedral Pt55 cluster on the surface of La2O3 by density functional theory (DFT) calculations. The oxygen adsorption energy (ΔE) for the supported Pt55 cluster was… Click to show full abstract
Abstract This study analyzed the icosahedral Pt55 cluster on the surface of La2O3 by density functional theory (DFT) calculations. The oxygen adsorption energy (ΔE) for the supported Pt55 cluster was different from the ΔE value for the Pt55 cluster without oxide supports. Moreover, the ΔE values for the supported Pt55 cluster depend on adsorption sites. This study applied the idea of Electronic Metal-Support Interaction (EMSI), and proposed the concept of “effective chemical potential (μeff)”. According to DFT calculation, the μeff values of supported Pt55 cluster were the intermediate values between the chemical potential values of Pt55 without oxide support (μPt55) and La2O3 (μLa2O3) (i.e. μPt55
Journal Title: Surface Science
Year Published: 2021
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