Density functional theory study of thermodynamic and kinetic isotope effects of H2/D2 dissociative adsorption on transition metals
Author:
Affiliation:
1. Department of Chemical and Biological Engineering
2. University of Wisconsin – Madison
3. Madison
4. USA
Abstract
Thermodynamic/kinetic isotope effects for H2/D2 dissociative adsorption calculated on metal surfaces offer a means to identify active sites.
Funder
Basic Energy Sciences
Publisher
Royal Society of Chemistry (RSC)
Subject
Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CY/C8CY00878G
Reference102 articles.
1. Kinetically Relevant Steps and H2/D2 Isotope Effects in Fischer−Tropsch Synthesis on Fe and Co Catalysts
2. Heterogeneous methanation: Absence of H2$z.sbnd;D2 kinetic isotope effect on Ni, Ru and Pt
3. Reply to comments on heterogeneous methanation: Absence of H2$z.sbnd;D2 kinetic isotope effect on Ni, Ru, and Pt
4. Comments on heterogeneous methanation: Absence of H2$z.sbnd;D2 kinetic isotope effect on Ni, Ru, and Pt
5. An Investigation of the Effects of Water on Rate and Selectivity for the Fischer–Tropsch Synthesis on Cobalt-Based Catalysts
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