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Title: 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

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.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [1]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Leiden Institute of Chemistry, Leiden University, 2300 RA Leiden, The Netherlands
  2. Faculty of Industrial Engineering, Mechanical Engineering and Computer Science, University of Iceland, 107 Reykjavík, Iceland
  3. Stanford University, Department of Chemical Engineering, Stanford, USA, SUNCAT Center for Interface Science and Catalysis
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1544583
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 31; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Kolb, Manuel J., Garden, Anna L., Badan, Cansin, Garrido Torres, José A., Skúlason, Egill, Juurlink, Ludo B. F., Jónsson, Hannes, and Koper, Marc T. M. 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. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CP02330E.
Kolb, Manuel J., Garden, Anna L., Badan, Cansin, Garrido Torres, José A., Skúlason, Egill, Juurlink, Ludo B. F., Jónsson, Hannes, & Koper, Marc T. M. 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. United Kingdom. doi:10.1039/C9CP02330E.
Kolb, Manuel J., Garden, Anna L., Badan, Cansin, Garrido Torres, José A., Skúlason, Egill, Juurlink, Ludo B. F., Jónsson, Hannes, and Koper, Marc T. M. Wed . "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". United Kingdom. doi:10.1039/C9CP02330E.
@article{osti_1544583,
title = {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},
author = {Kolb, Manuel J. and Garden, Anna L. and Badan, Cansin and Garrido Torres, José A. and Skúlason, Egill and Juurlink, Ludo B. F. and Jónsson, Hannes and Koper, Marc T. M.},
abstractNote = {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.},
doi = {10.1039/C9CP02330E},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 31,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {8}
}

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