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2015-02-06

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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/66314

Energetic stability of absorbed H in Pd and Pt nanoparticles in a more realistic environment

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http://dx.doi.org/10.1021/jp513022m

Resum

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.

Matèries

Nanopartícules, Catàlisi, Hidrogenació

Matèries (anglès)

Nanoparticles, Catalysis, Hydrogenation

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Articles publicats en revistes (Ciència dels Materials i Química Física)

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KOZLOV, Sergey, ALEKSANDROV, Hristiyan A. and NEYMAN, Konstantin M. Energetic stability of absorbed H in Pd and Pt nanoparticles in a more realistic environment. Journal of Physical Chemistry C. 2015. Vol. 119, num. 5180-5186. ISSN 1932-7447. [consulted: 23 of May of 2026]. Available at: https://hdl.handle.net/2445/66314

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