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Magnetism in graphene induced by hydrogen adsorbates
dc.creator | Šljivančanin, Željko | |
dc.creator | Balog, Richard | |
dc.creator | Hornekaer, Liv | |
dc.date.accessioned | 2018-03-01T22:35:45Z | |
dc.date.available | 2018-03-01T22:35:45Z | |
dc.date.issued | 2012 | |
dc.identifier.issn | 0009-2614 | |
dc.identifier.uri | https://vinar.vin.bg.ac.rs/handle/123456789/4917 | |
dc.description.abstract | Applying density functional theory we studied magnetism in partially hydrogenated graphene. We demonstrated that the difference in the number of H atoms adsorbed on two graphene sublattices eta can be used as a parameter to predict stability of hydrogen structures on graphene. All favorable structures with even number of H atoms are non-magnetic, with eta equal to zero. Favorable structures with odd number of H adsorbates have eta equal to one, giving rise to a total magnetic moment of 1 mu(B). Structures with higher eta, including recently proposed graphone, are thermodynamically unfavorable and kinetically unstable at room temperature. (C) 2012 Elsevier B. V. All rights reserved. | en |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171033/RS// | |
dc.relation | Danish Research Councils | |
dc.rights | restrictedAccess | en |
dc.source | Chemical Physics Letters | en |
dc.title | Magnetism in graphene induced by hydrogen adsorbates | en |
dc.type | article | en |
dcterms.abstract | Балог, Рицхард; Хорнекаер, Лив; Шљиванчанин Жељко; | |
dc.citation.volume | 541 | |
dc.citation.spage | 70 | |
dc.citation.epage | 74 | |
dc.identifier.wos | 000305802800014 | |
dc.identifier.doi | 10.1016/j.cplett.2012.05.043 | |
dc.citation.rank | M22 | |
dc.identifier.scopus | 2-s2.0-84862848243 |
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