Carbon-modified MgH2 : experimental and ab-initio investigations
hal.structure.identifier | Laboratoire de Chimie Physique des Matériaux [LCPM] | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | TAYEH, Toufic | |
hal.structure.identifier | Laboratoire de Chimie Physique des Matériaux [LCPM] | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | AWAD, Abdel Salam | |
hal.structure.identifier | Laboratoire de Chimie Physique des Matériaux [LCPM] | |
dc.contributor.author | NAKHL, Michel | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | BOBET, Jean-Louis | |
hal.structure.identifier | Laboratoire de Chimie Physique des Matériaux [LCPM] | |
dc.contributor.author | ZAKHOUR, Mirvat | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | MATAR, Samir F. | |
dc.date.issued | 2014 | |
dc.identifier.issn | 0932-0776 | |
dc.description.abstractEn | 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. | |
dc.language.iso | en | |
dc.publisher | Verlag der Zeitschrift Fuer Naturforschung | |
dc.title.en | Carbon-modified MgH2 : experimental and ab-initio investigations | |
dc.type | Article de revue | |
dc.identifier.doi | 10.5560/ZNB.2014-4072 | |
dc.subject.hal | Chimie/Matériaux | |
dc.subject.hal | Chimie/Chimie théorique et/ou physique | |
bordeaux.journal | Zeitschrift fur Naturforschung B | |
bordeaux.page | 804-810 | |
bordeaux.volume | 69 | |
bordeaux.issue | 7 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-01059221 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-01059221v1 | |
bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Zeitschrift%20fur%20Naturforschung%20B&rft.date=2014&rft.volume=69&rft.issue=7&rft.spage=804-810&rft.epage=804-810&rft.eissn=0932-0776&rft.issn=0932-0776&rft.au=TAYEH,%20Toufic&AWAD,%20Abdel%20Salam&NAKHL,%20Michel&BOBET,%20Jean-Louis&ZAKHOUR,%20Mirvat&rft.genre=article |
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