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Published in 2017 at "Surface Science"
DOI: 10.1016/j.susc.2016.10.001
Abstract: Abstract Molybdenum carbides are increasingly used in heterogeneously catalyzed hydrogenation reactions, which imply the adsorption and dissociation of molecular hydrogen. Here a systematic density functional theory based study, including or excluding dispersion terms, concerning the…
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Keywords:
adsorption dissociation;
molecular hydrogen;
moc 001;
dissociation ... See more keywords