TAYEH, Toufic; AWAD, Abdel Salam; NAKHL, Michel; BOBET, Jean-Louis; ZAKHOUR, Mirvat; MATAR, Samir F.

doi:10.5560/ZNB.2014-4072

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TAYEH, Toufic
Laboratoire de Chimie Physique des Matériaux [LCPM]
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

AWAD, Abdel Salam
Laboratoire de Chimie Physique des Matériaux [LCPM]
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

NAKHL, Michel
Laboratoire de Chimie Physique des Matériaux [LCPM]

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Zeitschrift fur Naturforschung B. 2014, vol. 69, n° 7, p. 804-810

Verlag der Zeitschrift Fuer Naturforschung

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The results of experimental and theoretical investigations of carbon-modified MgH2 for improving its sorption performances in hydrogen storage devices are reported. Large changes on its absorption/desorption capacities have been found. The following aspects are considered: size effects where finer particles obtained by energetic ball milling enable easier penetration, catalytic effects of carbon at the surface, and entrance of small quantities of C interstitially into the MgH2 structure. The energies and charge densities as studied by DFT suggest the activation of MgH2 through a decrease of the cohesive energy of the pristine hydride and a reduced ionic charge on hydrogen.< Leer menos

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Carbon-modified MgH2 : experimental and ab-initio investigations

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