PMID: 22587266May 17, 2012Paper

Reentrant mechanism for associative desorption: H2/Pt(110)-(1×2)

Physical Review Letters
Sigrídur GudmundsdóttirHannes Jónsson

Abstract

Calculations of the desorption of hydrogen from Pt(110)-(1×2), a surface used to model nanoparticle edge sites, show the activation energy varying strongly with hydrogen coverage, from 0.8 to 0.3 eV. The predicted temperature programed desorption spectra agree well with experiments, but the formation of the hydrogen molecules occurs only at two types of sites on the surface even though three peaks are observed. The lowest and highest temperature peaks result from desorption from the same strong binding sites at the ridge, while desorption from the weakest binding trough sites is insignificant.

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Citations

Mar 23, 2013·Physical Chemistry Chemical Physics : PCCP·Sigrídur GudmundsdóttirHannes Jónsson
Dec 3, 2014·Physical Chemistry Chemical Physics : PCCP·Younes AbghouiEgill Skúlason
Aug 8, 2015·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Donato FantauzziTimo Jacob
Nov 7, 2012·The Journal of Chemical Physics·Sigrídur GudmundsdóttirEgill Skúlason
Apr 10, 2014·The Journal of Chemical Physics·Manuel J KolbMarc T M Koper
Dec 14, 2016·Journal of Chemical Theory and Computation·Manuel Plasencia GutiérrezHannes Jónsson

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