Hydrogen interaction with fullerenes: From C[sub 20] to graphene

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© 2011 American Physical Society (APS). This is the accepted version of the following article: Vehviläinen, T. T. & Ganchenkova, M. G. & Oikkonen, L. E. & Nieminen, Risto M. 2011. Hydrogen interaction with fullerenes: From C[sub 20] to graphene. Physical Review B. Volume 84, Issue 8. 085447/1-7. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.085447, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.84.085447.

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Journal Title

Journal ISSN

Volume Title

School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Date

2011

Major/Subject

Mcode

Degree programme

Language

en

Pages

085447/1-7

Series

Physical Review B, Volume 84, Issue 8

Abstract

The paper presents a systematic study of the trends in the interaction of hydrogen with carbon fullerenes versus their curvature, where graphene is taken as the limit of zero curvature. The efficiency of hydrogen incapsulation in fullerenes, penetration into them, and adsorption on their surface are analyzed and discussed. The effects on magnetism are also considered; in particular, it is shown that hydrogen adsorption to some fullerenes induces magnetism to initially nonmagnetic systems. In addition, highly hydrogen-saturated fullerenes are examined and the suitability of fullerenes for hydrogen storage is discussed.

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Keywords

hydrogen, carbon, graphene, fullerenes

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Citation

Vehviläinen, T. T. & Ganchenkova, M. G. & Oikkonen, L. E. & Nieminen, Risto M. 2011. Hydrogen interaction with fullerenes: From C[sub 20] to graphene. Physical Review B. Volume 84, Issue 8. 085447/1-7. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.085447.