Electronic and magnetic properties of hydrogenated graphene nanoflakes

Xin Guo; Chundong Wang; Yungang Zhou

doi:10.1016/j.physleta.2013.02.029

Electronic and magnetic properties of hydrogenated graphene nanoflakes

Xin Guo
, Chundong Wang
, Yungang Zhou

Centre of Super-Diamond and Advanced Films

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

15 Citations (Scopus)

Abstract

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

Original language	English
Pages (from-to)	993-996
Journal	Physics Letters, Section A: General, Atomic and Solid State Physics
Volume	377
Issue number	13
DOIs	https://doi.org/10.1016/j.physleta.2013.02.029
Publication status	Published - 17 May 2013

Research Keywords

Density-functional theory
Graphene nanoflake
Magnetic property

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T1 - Electronic and magnetic properties of hydrogenated graphene nanoflakes

AU - Guo, Xin

AU - Wang, Chundong

AU - Zhou, Yungang

PY - 2013/5/17

Y1 - 2013/5/17

N2 - 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

AB - 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

KW - Density-functional theory

KW - Graphene nanoflake

KW - Magnetic property

UR - https://www.scopus.com/pages/publications/84875231795

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U2 - 10.1016/j.physleta.2013.02.029

DO - 10.1016/j.physleta.2013.02.029

M3 - RGC 21 - Publication in refereed journal

SN - 0375-9601

VL - 377

SP - 993

EP - 996

JO - Physics Letters, Section A: General, Atomic and Solid State Physics

JF - Physics Letters, Section A: General, Atomic and Solid State Physics

IS - 13

ER -

Electronic and magnetic properties of hydrogenated graphene nanoflakes

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