Hydrogen Dissociation Catalyzed by Carbon-Coated Nickel Nanoparticles: Experiment and Theory
| Autor: | M. A. Uimin, Ekaterina S. Lokteva, N. N. Schegoleva, A. V. Erokhin, Danil W. Boukhvalov, Anatoliy Ye. Yermakov |
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| Rok vydání: | 2013 |
| Předmět: |
Nanocomposite
Chemistry Magnesium Graphene Inorganic chemistry Temperature Metal Nanoparticles Nanoparticle chemistry.chemical_element Molecular Dynamics Simulation Carbon Catalysis Atomic and Molecular Physics and Optics Carbocatalysis law.invention Nickel law Graphite Physical and Theoretical Chemistry Hydrogen |
| Zdroj: | ChemPhysChem. 14:381-385 |
| ISSN: | 1439-4235 |
| DOI: | 10.1002/cphc.201200831 |
| Popis: | Based on the combination of experimental measurements and first-principles calculations we report a novel carbon-based catalytic material and describe significant acceleration of the hydrogenation of magnesium at room temperature in the presence of nickel nanoparticles wrapped in multilayer graphene. The increase in rate of magnesium hydrogenation in contrast to a mix of graphite and nickel nanoparticles evidences intrinsic catalytic properties of the nanocomposites explored. The results from simulation demonstrate that doping of the metal substrate and the presence of Stone-Wales defects turn multilayer graphene from being chemically inert to chemically active. The role of the size of the nanoparticles and temperature are also discussed. |
| Databáze: | OpenAIRE |
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