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- W2058383759 abstract "Absorbed hydrogen can dramatically increase hydrogenation activity of Pd nanoparticles and was predicted to do so also for Pt. This calls for investigations of the energetic stability of absorbed H in Pd and Pt using nanoparticle models as realistic as possible, i.e., (i) sufficiently large, (ii) supported, and (iii) precovered by hydrogen. Herein, hydrogen absorption is studied in MgO(100)-supported 1.6 nm large Pd and Pt nanoparticles with surfaces saturated by hydrogen. The effect of surface H on the stability of absorbed H is found to be significant and to exceed the effect of the support. H absorption is calculated to be endothermic in Pt, energy neutral in Pd(111) and bare Pd nanoparticles, and exothermic in H-covered Pd nanoparticles. Hence, we identify the abundance of surface H and the nanostructuring of Pd as prerequisites for facile absorption of hydrogen in Pd and for the concomitantly altered catalytic activity." @default.
- W2058383759 created "2016-06-24" @default.
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- W2058383759 date "2015-02-17" @default.
- W2058383759 modified "2023-10-18" @default.
- W2058383759 title "Energetic Stability of Absorbed H in Pd and Pt Nanoparticles in a More Realistic Environment" @default.
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- W2058383759 doi "https://doi.org/10.1021/jp513022m" @default.
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