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dc.creatorRadaković, Jana
dc.creatorĆirić, Katarina D.
dc.creatorBelošević-Čavor, Jelena
dc.creatorKoteski, Vasil J.
dc.date.accessioned2018-03-01T21:17:07Z
dc.date.available2018-03-01T21:17:07Z
dc.date.issued2010
dc.identifier.issn0927-0256 (print)
dc.identifier.issn1879-0801 (electronic)
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/4042
dc.description.abstractAb initio calculations of the structural, electronic and thermodynamic properties of Hf2Ni, HfNi, HfNi2 and HfNi5 are presented. Using all-electron augmented plane waves plus local orbitals (APW+lo) method the relative stability of the selected compounds was determined by calculating their enthalpies of formation and cohesive energies. In addition, their electronic structure and bonding properties were determined. The results are discussed in view of the potential application of these intermetallics as materials for hydrogen storage. (C) 2010 Elsevier B.V. All rights reserved.en
dc.relationinfo:eu-repo/grantAgreement/MESTD/MPN2006-2010/141022/RS//
dc.rightsrestrictedAccessen
dc.sourcecomputational Materials Scienceen
dc.subjectHf intermetallicsen
dc.subjecthydrogen storageen
dc.subjectAPW plus loen
dc.subjectelectronic structureen
dc.titleFirst-principles study of the thermodynamic properties and electronic structure of compounds from Hf-Ni phase systemen
dc.typearticleen
dc.rights.licenseARR
dcterms.abstractЦириц, Катарина; Радаковић Јана; Белошевић-Чавор Јелена; Котески Васил Ј.;
dc.citation.volume49
dc.citation.issue1
dc.citation.spage55
dc.citation.epage59
dc.identifier.wos000279858400008
dc.identifier.doi10.1016/j.commatsci.2010.04.019
dc.citation.rankM22
dc.identifier.scopus2-s2.0-77955277556


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