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• W2890439865 startingPage "7952" @default.
• W2890439865 abstract "The adsorption of hydrogen single atoms and the dissociation of hydrogen molecules on free-standing and metal-supported TiO2 lepidocrocite films is studied by means of density functional theory calculations. The free-standing film results slightly less prone to reduction upon hydrogenation compared to anatase surfaces, due to the larger band gap. On the metal-supported films, the charge transfer at the metal oxide interface influences remarkably the stability of the adsorbates on the surface: while on Pt(111), where the charge transfer is small, the hydrogenation of lepidocrocite is slightly more favorable compared to the case of the free-standing film, on Ag(100), where there is a net charge flow from the metal to the oxide film, the hydrogenation results unfavorable due to charge accumulation in the oxide." @default.
• W2890439865 created "2018-09-27" @default.
• W2890439865 creator A5018929838 @default.
• W2890439865 creator A5052667485 @default.
• W2890439865 date "2018-09-05" @default.
• W2890439865 modified "2023-09-26" @default.
• W2890439865 title "Hydrogen Adsorption on Free-Standing and Ag–Pt Supported TiO₂ Thin Films" @default.
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• W2890439865 doi "https://doi.org/10.1021/acs.jpcc.8b07345" @default.
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