A first-principles investigation of the optical spectra of oxidized graphene

Singh, Nirpendra; Kaloni, Thaneshwor P.; Schwingenschlögl, Udo

doi:10.1063/1.4781382

Cited by 32 publications

(15 citation statements)

References 40 publications

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“…4 Summary As a result, ordered and non-ordered vacancies clusters and point defects are calculated in different manners, with first-principle and molecular dynamics methods. The V 1 (5)(6)(7)(8)(9) defect is found to be the most stable in the case of randomly oriented vacancies with any concentrations both theoretically and experimentally. Nevertheless, the V 1 (12) defect, as a structural predictor of the V 1 (5-9) defect, remains stable in the case of ordered periodical vacancies.…”

Section: Resultsmentioning

confidence: 94%

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Tailoring properties of graphene with vacancies

Pokropivny

Chalopin

et al. 2013

Physica Status Solidi (b)

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The influence of vacancy defects on the electronic and phonon properties of graphene is studied with the models based on a unit cell of 180 carbon atoms and of 1, 2, 3, 6, and 24 vacancies. Ordered, with one defect per unit cell, and non‐ordered (randomly arranged) vacancies are calculated with first‐principle and molecular dynamics methods. Randomly oriented vacancies lead to a creation of characteristic V1(5‐9) defects and the amorphization of graphene with different rings. Electronic and phonon densities of states are analyzed. The switching of the electrical conductivity from metal to semiconductor type is observed when increasing the defect sizes from a single vacancy to large clusters. The characteristic phonon modes are found in all these cases for their future experimental identification. Novel types of devices are proposed via doping of defective graphene.

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Section: Resultsmentioning

confidence: 94%

“…Vacancies are found to be the main defects in experiment . Recently, thermal transport in graphene was simulated with different vacancy defect concentrations , the local magnetic moment was found for the pristine monovacancies , electronic and optical properties of di, tri, and tetravacancies were studied .…”

Section: Introductionmentioning

confidence: 99%

Tailoring properties of graphene with vacancies

Pokropivny

Chalopin

et al. 2013

Physica Status Solidi (b)

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“…These small activation energies suggest that the H-related donor states are nearly degenerated on the conduction band minimum (CBM) [19]. In the low temperature region, the variable range hopping (VRH) has well described the transport for ZnO and Co-doped ZnO [20][21][22].…”

Section: Resultsmentioning

confidence: 99%

Hydrogen-induced anomalous Hall effect in Co-doped ZnO

et al. 2014

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The electrical transport characteristics and anomalous Hall effect (AHE) were investigated for a hydrogen-injected Co-doped ZnO thin film. Based on the measurements of resistivity and the Hall effect between 5 K and 300 K, the existence of Co-H-Co complexes was observed to introduce the AHE and enable the AHE to persist up to room temperature. The observed H-induced AHE originates from the asymmetric scattering of carrier hopping between the localized states driven by ferromagnetic Co-H-Co complexes, and a theoretical study using first-principle calculations supports the experimental results well. This large ferromagnetic response of charge carriers by the hydrogen-induced AHE on semiconducting oxides will stimulate the further investigation of roomtemperature spintronic applications.

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“…[13][14][15][16][17][18] For a linear isotropic elastic material, stresses are explained by the kinematic parameters effective on the strain density which are given in the following constitutive relations, 19…”

Section: Strain Gradient Theorymentioning

confidence: 99%

Wave Propagation in Rectangular Nanoplates Based on Strain Gradient Theory With One Gradient Parameter With Considering Initial Stress

Nami

Janghorban

2014

Mod. Phys. Lett. B

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In this paper, on the basis of gradient elasticity theory with one gradient parameter, wave propagation in rectangular nanoplates is studied. In the governing equation, the influences of initial stresses and elastic foundation are also considered. An analytical approach is used to solve the governing equation. The effects of different parameters such as gradient parameter on the circular and cut-off frequencies are presented. One can see that the initial stress and gradient parameter play an important role in investigating the wave propagation in nanoplates.

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A first-principles investigation of the optical spectra of oxidized graphene

Cited by 32 publications

References 40 publications

Tailoring properties of graphene with vacancies

Tailoring properties of graphene with vacancies

Hydrogen-induced anomalous Hall effect in Co-doped ZnO

Wave Propagation in Rectangular Nanoplates Based on Strain Gradient Theory With One Gradient Parameter With Considering Initial Stress

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