Nanoporous carbon structures based on C[sub 20]

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dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorVehviläinen, T. T.
dc.contributor.authorGanchenkova, M. G.
dc.contributor.authorNieminen, Risto M.
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-07-28T09:00:57Z
dc.date.available2015-07-28T09:00:57Z
dc.date.issued2011
dc.description.abstractIn this paper, we present computational results for C20 based solids. We propose structures that are shown to be energetically more favorable and stable than previously suggested structures. The so-called quasigraphite phase and base-centered-monoclinic type structures are found to be the energetically most favorable. The molecular-dynamics stability of suggested structures was studied via constant-temperature and constant-pressure techniques and by examining phonon dispersion curves. All the predicted structures demonstrate high stability with respect to temperature and external load. By changing the geometry, the electronic properties can be varied from metallic to insulating.en
dc.description.versionPeer revieweden
dc.format.extent125444/1-7
dc.format.mimetypeapplication/pdfen
dc.identifier.citationVehviläinen, T. T. & Ganchenkova, M. G. & Nieminen, Risto M. 2011. Nanoporous carbon structures based on C[sub 20]. Physical Review B. Volume 84, Issue 12. 125444/1-7. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.125444.en
dc.identifier.doi10.1103/physrevb.84.125444
dc.identifier.issn1550-235X (electronic)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/17263
dc.identifier.urnURN:NBN:fi:aalto-201507273892
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseriesVolume 84, Issue 12
dc.rights© 2011 American Physical Society (APS). This is the accepted version of the following article: Vehviläinen, T. T. & Ganchenkova, M. G. & Nieminen, Risto M. 2011. Nanoporous carbon structures based on C[sub 20]. Physical Review B. Volume 84, Issue 12. 125444/1-7. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.125444, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.84.125444.en
dc.rights.holderAmerican Physical Society (APS)
dc.subject.keywordnanoporous carbonen
dc.subject.keywordstructuresen
dc.subject.otherPhysicsen
dc.titleNanoporous carbon structures based on C[sub 20]en
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen
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