Open AccessCritical Hydrogen Coverage Effect on the Hydrogenation of Ethylene Catalyzed by δ-MoC(001): An Ab Initio Thermodynamic and Kinetic Study
Author(s) -
Carlos JimenezOrozco,
Elizabeth Flórez,
Francesc Viñes,
José A. Rodríguez,
Francesc Illas
Publication year - 2020
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.0c00144
Subject(s) - catalysis , chemistry , ab initio , monolayer , desorption , ethylene , hydrogen , dissociation (chemistry) , rate determining step , activation energy , adsorption , density functional theory , enthalpy , elementary reaction , hydride , reaction rate , photochemistry , computational chemistry , thermodynamics , kinetics , organic chemistry , biochemistry , physics , quantum mechanics
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