TY - JOUR
T1 - Reentrant mechanism for associative desorption
T2 - H 2/Pt(110)- (1×2)
AU - Gudmundsdótir, Sigrídur
AU - Skúlason, Egill
AU - Jónsson, Hannes
PY - 2012/4/10
Y1 - 2012/4/10
N2 - 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 0.3eV. 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.
AB - 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 0.3eV. 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.
UR - http://www.scopus.com/inward/record.url?scp=84859789825&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.108.156101
DO - 10.1103/PhysRevLett.108.156101
M3 - Article
AN - SCOPUS:84859789825
SN - 0031-9007
VL - 108
JO - Physical Review Letters
JF - Physical Review Letters
IS - 15
M1 - 156101
ER -