Intrinsic reactivity of Ni, Pd and Pt surfaces in dry reforming and competitive reactions: Insights from first principles calculations and microkinetic modeling simulations

Intrinsic reactivity of Ni, Pd and Pt surfaces in dry reforming and competitive reactions: Insights from first principles calculations and microkinetic modeling simulations

[Display omitted] •CH4 activation is similar for Ni, Pd, Pt while CO2 dissociation is kinetically more demanding following the trend Ni

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Veröffentlicht in:Journal of catalysis 2016-11, Vol.343, p.196-207
Hauptverfasser: Foppa, Lucas, Silaghi, Marius-Christian, Larmier, Kim, Comas-Vives, Aleix
Format: Artikel
Sprache:eng
Schlagworte:
Chemical reactions
Coke formation
Density functional theory
Dry reforming of methane
Group 10 metals (Ni, Pd, Pt)
Kinetics
Microkinetic modeling
Simulation
Steam reforming
Surface chemistry
Water gas shift
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Zusammenfassung:[Display omitted] •CH4 activation is similar for Ni, Pd, Pt while CO2 dissociation is kinetically more demanding following the trend Ni
ISSN:0021-9517
1090-2694
DOI:10.1016/j.jcat.2016.02.030