Dissociative Chemisorption and Oxidation of H2 on the Stoichiometric IrO2(110) Surface
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DOI: 10.1007/s11244-017-0877-y
Abstract: We investigated the dissociative chemisorption and oxidation of H2 and D2 on the stoichiometric IrO2(110) surface (“s-IrO2(110)”) using temperature programmed reaction spectroscopy (TPRS) and density functional theory (DFT) calculations. We find that the dissociative chemisorption… read more here.
Keywords: iro2; dissociative chemisorption; chemisorption oxidation; iro2 110 ... See more keywords
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00824
Abstract: Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative… read more here.
Keywords: dissociative chemisorption; barrier heights; database; metal surfaces ... See more keywords
Tuning the Catalytic Activity of PdxNiy (x + y = 6) Bimetallic Clusters for Hydrogen Dissociative Chemisorption and Desorption
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DOI: 10.1021/acsomega.9b01360
Abstract: Density functional theory was used to study dissociative chemisorption and desorption on PdxNiy (x + y = 6) bimetallic clusters. The H2 dissociative chemisorption energies and the H desorption energies at full H saturation were… read more here.
Keywords: dissociative chemisorption; bimetallic clusters; chemisorption desorption; chemisorption ... See more keywords