Molybdenum Carbide Nanocatalysts at Work in the in Situ Environment: A Density Functional Tight-Binding and Quantum Mechanical/Molecular Mechanical Study.

Heterogeneous reactions catalyzed by transition-metal-containing nanoparticles represent a crucial type of reaction in chemical industry. Because of the existing gap in understanding heterogeneous catalysis between a cluster of a few atoms and a bulk model of periodic slabs, reactions catalyzed by t...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 137; no. 12; pp. 4249 - 4260
Main Authors:	Xingchen Liu, Salahub, Dennis R.
Format:	Article
Published:	American Chemical Society 4/1/2015
Subjects:	Catalysts Transition metals Nanoparticles Chemical industry Free energy (Thermodynamics)
Online Access:	View this record in EBSCOhost