Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 31(21), p. 17142-17151, 2019
DOI: 10.1039/c9cp02330e
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Elucidation of temperature-programmed desorption of high-coverage hydrogen on Pt(211), Pt(221), Pt(533) and Pt(553) based on density functional theory calculations
Journal article published in 2019 by
Manuel J. Kolb 
,
Anna L. Garden ,
Cansin Badan,
José A. Garrido Torres ,
Egill Skúlason ,
Ludo B. F. Juurlink ,
Hannes Jónsson ,
Marc T. M. Koper
,
Anna L. Garden ,
Cansin Badan,
José A. Garrido Torres ,
Egill Skúlason ,
Ludo B. F. Juurlink ,
Hannes Jónsson ,
Marc T. M. Koper
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Abstract
In this work, we compute high-coverage hydrogen adsorption structures on the Pt(211) and Pt(533) surfaces which contain a (100) step and the Pt(221) and Pt(553) surfaces which contain a (111) step and link these to their respective TPD spectra.