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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 · · Physical Chemistry Chemical Physics. PCCP
DOI:https://doi.org/10.1039/C9CP02330E· OSTI ID:1569298
 [1];  [2];  [1];  [3];  [2];  [1];  [2];  [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
+ Show Author Affiliations

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.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1569298
Alternate ID(s):
OSTI ID: 1544583
OSTI ID: 1560675
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 31 Vol. 21; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

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