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This content will become publicly available on June 13, 2019

Title: Density functional theory study of thermodynamic and kinetic isotope effects of H 2 /D 2 dissociative adsorption on transition metals

Thermodynamic/kinetic isotope effects for H 2 /D 2 dissociative adsorption calculated on metal surfaces offer a means to identify active sites.
Authors:
 [1] ; ORCiD logo [1] ;  [1] ; ORCiD logo [1]
  1. Department of Chemical and Biological Engineering, University of Wisconsin – Madison, Madison, USA
Publication Date:
Grant/Contract Number:
FG02-05ER15731
Type:
Publisher's Accepted Manuscript
Journal Name:
Catalysis Science & Technology
Additional Journal Information:
Journal Name: Catalysis Science & Technology Journal Volume: 8 Journal Issue: 13; Journal ID: ISSN 2044-4753
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1454279