2014
DOI: 10.1002/cphc.201301127
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Role of Edge Geometry and Magnetic Interaction in Opening Bandgap of Low‐Dimensional Graphene

Abstract: By using a size-dependent cohesive energy formula for two-dimensional coordination materials, the bandgap openings of ideal graphene quantum dots (GQDs) and nanoribbons (GNRs) have been investigated systematically regarding dimension, edge geometry, and magnetic interaction. Results demonstrate that the bandgap openings in GQDs can be dominated by the change of atomic cohesive energy. Relative to zigzag GQDs, the openings in the armchair ones are more substantial, attributed to its edge instability. The change… Show more

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Cited by 6 publications
(1 citation statement)
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“…However, that is different from a quantum dot, whose PL emission peak is independent of the excitation wavelength, but the intensity of the PL emission is dependent on the excitation wavelength, when its size, morphology, and surface functional groups are defined. Several mechanisms were proposed to illustrate the origin of the excitation wavelength dependence of the PL property of GQDs. The generally accepted explanation is that quantum size, zigzag edge sites, recombination of localized electron–hole pairs, and defect effects were involved in the PL emission. ,, The first three of them were regarded as intrinsic state emission and the last one defined as the defect state emission. However, the dominant factor remains unclear.…”
Section: Introductionmentioning
confidence: 99%
“…However, that is different from a quantum dot, whose PL emission peak is independent of the excitation wavelength, but the intensity of the PL emission is dependent on the excitation wavelength, when its size, morphology, and surface functional groups are defined. Several mechanisms were proposed to illustrate the origin of the excitation wavelength dependence of the PL property of GQDs. The generally accepted explanation is that quantum size, zigzag edge sites, recombination of localized electron–hole pairs, and defect effects were involved in the PL emission. ,, The first three of them were regarded as intrinsic state emission and the last one defined as the defect state emission. However, the dominant factor remains unclear.…”
Section: Introductionmentioning
confidence: 99%