Journal
CATALYSIS TODAY
Volume 285, Issue -, Pages 166-178Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cattod.2016.11.048
Keywords
DFT; IR spectroscopy; Kinetics; Catalyst design; Hydrogenation; C-C bond forming reactions
Funding
- MINECO [CSD2009-00050, SEV-2012-0267]
- Generalitat Valenciana [PROMETE011/2013/011]
- European Union [ERC-AdG-2014-671093]
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By combining theoretical modelling, in situ spectroscopy and kinetic studies it is possible to understand, at the molecular level, the role that the different types of active centres co-existing on real heterogeneous catalysts play on each elementary step of the global reaction mechanism. The fundamental knowledge acquired by means of this multi-disciplinary approach in two selected reactions, the chemoselective hydrogenation of substituted nitroaromatics and the Sonogashira coupling between aryl halides and alkynes, is applied to direct the rational synthesis of more efficient industrial catalysts based on noble metal particles supported on metal oxides. (C) 2016 Elsevier B.V. All rights reserved.
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