Optical properties of armchair graphene nanoribbons embedded in hexagonal boron nitride lattices

Nematian, H.; Moradinasab, Mahdi; Pourfath, Mahdi; Fathipour, Morteza; Kosina, H.

doi:10.1063/1.4710988

Cited by 28 publications

(24 citation statements)

References 21 publications

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“…The optical properties of carbon nanomaterials [31][32][33][34][35] has become a major topic of research. A systematic approach to tuning the optical responses of nanomaterials is required for diverse applications, such as optoelectronics, light energy conversion, UV light protection and artificial photosynthesis.…”

Section: Introductionmentioning

confidence: 99%

Electronic and optical properties of pristine and boron–nitrogen doped graphyne nanotubes

Bhattacharya

Singh

Mondal

et al. 2015

Phys. Chem. Chem. Phys.

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First principle calculations with generalized gradient approximation were carried out to analyse the electronic and optical properties of armchair and zigzag graphyne nanotubes (GNTs). The possible application of these NTs in optoelectronic devices was also investigated. The GNTs were doped with boron (B) and nitrogen (N) atoms and the resulting band gap tuning was studied with respect to the B/N substitution site and increasing diameter of the NTs. The basis of this variation was examined using the partial density of states and crystal orbital Hamilton population analysis. A decreasing trend in the optical response was seen with an increase in the diameter of the NTs. The reported systems showed anisotropic behaviour in the low-energy region. The origin of the optical responses was monitored from the infrared to the UV region depending on the doping site of the B/N. As a result of the large band gap, low reflectivity and low refractive index, B/N GNTs have been established as a suitable system for novel optoelectronic devices. The strong absorption peaks in the UV region mean that they are a good choice for use in UV light protection.

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Section: Introductionmentioning

confidence: 99%

Electronic and optical properties of pristine and boron–nitrogen doped graphyne nanotubes

Bhattacharya

Singh

Mondal

et al. 2015

Phys. Chem. Chem. Phys.

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“…The two methods used are (1) the all-electron full-potential linearized-augmented plane-wave [32] and (2) local basis function DFT approach [33,34]. The latter has been used to predict the half-metallic character of graphene nanoribbons [35] and to probe the optical properties of armchair graphene nanoribbons embedded in hexagonal boron nitride lattices [36]. The local basis function approach is adopted for further studies due to its simplicity and robustness.…”

Section: Introductionmentioning

confidence: 99%

Ab initio calculations of optical properties of silver clusters: cross-over from molecular to nanoscale behavior

Titantah

Karttunen

2016

Eur. Phys. J. B

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Abstract. Electronic and optical properties of silver clusters were calculated using two different ab initio approaches: (1) based on all-electron full-potential linearized-augmented plane-wave method and (2) local basis function pseudopotential approach. Agreement is found between the two methods for small and intermediate sized clusters for which the former method is limited due to its all-electron formulation. The latter, due to non-periodic boundary conditions, is the more natural approach to simulate small clusters. The effect of cluster size is then explored using the local basis function approach. We find that as the cluster size increases, the electronic structure undergoes a transition from molecular behavior to nanoparticle behavior at a cluster size of 140 atoms (diameter ∼1.7 nm). Above this cluster size the steplike electronic structure, evident as several features in the imaginary part of the polarizability of all clusters smaller than Ag147, gives way to a dominant plasmon peak localized at wavelengths 350 nm ≤ λ ≤ 600 nm. It is, thus, at this length-scale that the conduction electrons' collective oscillations that are responsible for plasmonic resonances begin to dominate the opto-electronic properties of silver nanoclusters.

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“…Boron nitride has been known since its first synthesis in 1842, but nowadays has become one of the most intensively studied semiconductor for modern optoelectronics. One of the reasons is that its hexagonal form (h-BN) suits very well as a substrate for graphene and other two-dimensional materials [1,2]. This useful feature is even further strengthened by a large band gap of BN (equal to about 6.4 eV) which allows using it as a transparent substrate for blue optoelectronics.…”

Section: Introductionmentioning

confidence: 99%

An Influence of X-Ray Irradiation on Mid-Bandgap Luminescence of Boron Nitride Epitaxial Layers

et al. 2019

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Samples of boron nitride (BN) in the form of an exfoliated monolayer, epitaxial layers grown on sapphire, and a powder with micrometer grains were studied in a luminescence experiment connected with irradiation of samples with X-rays. The luminescence excited with photons with the wavelength of 488 nm was shown to span over a broad band from a filter cutoff at 550 nm to about 850 nm. The intensity of luminescence showed a monoexponential decrease both before and after irradiation with X-rays, but this dynamics slowed down after irradiation to an extent dependent on the X-ray dose. This indicates possible application of BN in dosimetry of X-rays. An influence of sapphire substrates on photoluminescence dynamics was also studied. We show that this influence is very strong in the case of layers with thickness of a few nm and can be disregarded when the thickness is equal to a few tens of nm.

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Optical properties of armchair graphene nanoribbons embedded in hexagonal boron nitride lattices

Cited by 28 publications

References 21 publications

Electronic and optical properties of pristine and boron–nitrogen doped graphyne nanotubes

Electronic and optical properties of pristine and boron–nitrogen doped graphyne nanotubes

Ab initio calculations of optical properties of silver clusters: cross-over from molecular to nanoscale behavior

An Influence of X-Ray Irradiation on Mid-Bandgap Luminescence of Boron Nitride Epitaxial Layers

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