Nanoporous carbon structures based on C20

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Vehviläinen, T.T. Ganchenkova, M.G. Nieminen, R.M. 2018-05-22T14:46:59Z 2018-05-22T14:46:59Z 2011
dc.identifier.citation Vehviläinen , T T , Ganchenkova , M G & Nieminen , R M 2011 , ' Nanoporous carbon structures based on C20 ' PHYSICAL REVIEW B , vol 84 , no. 12 , 125444 , pp. 1-7 . DOI: 10.1103/PhysRevB.84.125444 en
dc.identifier.issn 1098-0121
dc.identifier.issn 1550-235X
dc.identifier.other PURE UUID: bdd21aa0-6672-4978-896f-c774f6b933aa
dc.identifier.other PURE ITEMURL:
dc.identifier.other PURE LINK:
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dc.description.abstract In 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.format.extent 1-7
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries PHYSICAL REVIEW B en
dc.relation.ispartofseries Volume 84, issue 12 en
dc.rights openAccess en
dc.subject.other 114 Physical sciences en
dc.subject.other 221 Nanotechnology en
dc.subject.other 214 Mechanical engineering en
dc.subject.other 218 Environmental engineering en
dc.title Nanoporous carbon structures based on C20 en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics en
dc.subject.keyword carbon
dc.subject.keyword dft
dc.subject.keyword fullerene
dc.subject.keyword 114 Physical sciences
dc.subject.keyword 221 Nanotechnology
dc.subject.keyword 214 Mechanical engineering
dc.subject.keyword 218 Environmental engineering
dc.identifier.urn URN:NBN:fi:aalto-201805222579
dc.identifier.doi 10.1103/PhysRevB.84.125444
dc.type.version publishedVersion

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