Magnetism in graphene induced by hydrogen adsorbates

Ž. Šljivančanin, R. Balog, L. Hornekær

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review


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 η 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 η equal to zero. Favorable structures with odd number of H adsorbates have η equal to one, giving rise to a total magnetic moment of 1 . Structures with higher η, including recently proposed graphone, are thermodynamically unfavorable and kinetically unstable at room temperature.
Original languageEnglish
JournalChemical Physics Letters
Pages (from-to)70-74
Number of pages5
Publication statusPublished - 10 Jul 2012


Dive into the research topics of 'Magnetism in graphene induced by hydrogen adsorbates'. Together they form a unique fingerprint.

Cite this