Electronic and magnetic properties of hydrogenated graphene nanoflakes

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journal

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  • Xin Guo
  • Chundong Wang
  • Yungang Zhou


Original languageEnglish
Pages (from-to)993-996
Journal / PublicationPhysics Letters, Section A: General, Atomic and Solid State Physics
Issue number13
Publication statusPublished - 17 May 2013


We investigated the energetic stability, electronic, and magnetic properties of hydrogenated graphene nanoflakes (GNFs) by using density-functional theory (DFT). Hydrogenated GNFs were found to be the stable heterojunction structures. As the increase of H coverage, a transition of a small-gap semiconductor to wide-gap semiconductor occurs, accompanied with a nonmagnetic (with the coverage χ=0) → magnetic (with the coverage 0

Research Area(s)

  • Density-functional theory, Graphene nanoflake, Magnetic property