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Nonlinear bandgap opening behavior of BN co-doped graphene

Wang, Bo-Yao (author)
Wang, Hsiaotsu (author)
Chen, Ling-Yen (author)
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Hsueh, Hung-Chung (author)
Li, Xin (author)
Guo, Jinghua (author)
Luo, Yi (author)
KTH,Teoretisk kemi och biologi
Chiou, Jau-Wern (author)
Wang, Wei-Hua (author)
Wang, Po-Hsiang (author)
Chen, Kuei-Hsien (author)
Chen, Yen-Chih (author)
Chen, Li-Chyong (author)
Chen, Chia-Hao (author)
Wang, Jian (author)
Pong, Way-Faung (author)
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 (creator_code:org_t)
Elsevier, 2016
2016
English.
In: Carbon. - : Elsevier. - 0008-6223 .- 1873-3891. ; 107, s. 857-864
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • We have demonstrated a nonlinear behavior for the bandgap opening of doped graphene by controlling the concentration of B and N co-dopants. X-ray absorption and emission spectra reveal that the bandgap increases from 0 to 0.6 eV as the concentration of BN dopants is increased from 0 to 6%, while the bandgap closes when the doping concentration becomes 56%. This nonlinear behavior of bandgap opening of the BN-doped graphene depending on the BN concentrations is consistent with the valenceband photoemission spectroscopic measurements. The spatially resolved B, N and C K-edge scanning transmission x-ray microscopy and their x-ray absorption near- edge structure spectra all support the scenario of the development of h-BN-like domains at high concentrations of BN. Ab initio calculation, by taking into account of the strong correlation between the bandgap and the geometry/concentration of the dopant, has been performed with various BN-dopant nano-domains embedded in the graphene monolayer to verify the unique bandgap behavior. Based on the experimental measurements and ab initio calculation, we propose the progressive formation of a phase-separated zigzag-edged BN domain from BN quantum dots with increasing BN-dopant concentration to explain the extraordinary nonlinear behavior of bandgap opening of BN-doped graphene sheets. This study reveals a new way to engineer the bandgap of low-dimensional systems.

Subject headings

NATURVETENSKAP  -- Kemi -- Annan kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Other Chemistry Topics (hsv//eng)

Keyword

Hexagonal Boron-Nitride
X-Ray Spectromicroscopy
Augmented-Wave Method
Electronic-Structures
Cluster-Analysis
Nitrogen
Gap
Growth
Photoluminescence
Spectroscopy

Publication and Content Type

ref (subject category)
art (subject category)

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