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- W3135349711 abstract "We have studied the dissociative adsorption of hydrogen under high coverage conditions of adsorbed hydrogen on Pd and Pt nanoislands supported on Au(111) using Density Functional Theory calculations. The results reveal that for Pd/Au(111), the free energy of hydrogen adsorption ΔG is close to 0 kJ/mol when the coverage of adsorbed hydrogen is near 1 ML, where the available catalytic sites are located at the edges of the Pd nanoislands. In the case of Pt/Au(111), ΔG ≈ 0 kJ/mol under a broad range of hydrogen coverage conditions, from 1 ML to 3 ML, depending on the size of the Pt nanoislands. This is the case because the available catalytic sites are located at both the steps and terraces of Pt nanoislands. These findings indicate that Au surfaces with Pd or Pt nanoislands offer catalytic sites with ΔG ≈ 0 for hydrogen reactions, one key factor for an ideal electrocatalyst for hydrogen reactions." @default.
- W3135349711 created "2021-03-15" @default.
- W3135349711 creator A5027952527 @default.
- W3135349711 creator A5068845345 @default.
- W3135349711 date "2021-03-01" @default.
- W3135349711 modified "2023-09-26" @default.
- W3135349711 title "Hydrogen Adsorption on Au-Supported Pt and Pd Nanoislands: A Computational Study of Hydrogen Coverage Effects" @default.
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- W3135349711 doi "https://doi.org/10.1021/acs.jpcc.0c11566" @default.
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