First principles study on optical response of graphene oxides: From reduced graphene oxide to the fully oxidized surface

Nasehnia, F.; Lima, Sílvia M. M. A. Pereira; Seifi, Majid; Mehran, E.

doi:10.1016/j.commatsci.2015.12.010

Cited by 27 publications

(18 citation statements)

References 37 publications

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“…On the other hand, to the best of our knowledge, no studies have addressed the computational modeling of TiO 2 / GO interfaces. In this case, it is important to note that there is no unique structure for GO, since the conditions and methods of production influence the number, type and distribution of the functional groups of GO [30,31]. In this work, for simplicity, a model where graphene was completely functionalized with epoxy C-O groups was considered to evaluate the effect of oxidation on the fundamental properties of TiO 2 / GO interfaces.…”

Section: Discussionmentioning

confidence: 99%

TiO 2 /graphene and TiO 2 /graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study

Martins

Ferreira

Silva

et al. 2018

Composites Part B: Engineering

117

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This work reports a computational study, focused on graphene (G) and graphene oxide (GO) interfaces with titanium dioxide (TiO 2), and an experimental assay on the photocatalytic activity of TiO 2 /G and TiO 2 /GO nanocomposites in the degradation of two different pollutants: methylene blue and ciprofloxacin. Both carbon nanostructures were compared due to their different chemical structure: GO is a G derivative with oxygen functional groups which should promote a closer chemical interaction with TiO 2 nanoparticles. Computational models of the fundamental properties of the composites indicated potentially improved photocatalytic activity compared to TiO 2 , namely lower band gaps and charge carrier segregation at the interfaces. These fundamental properties match qualitatively experimental results on methylene blue, which was more effectively degraded by TiO 2 /G and TiO 2 /GO nanocomposites than by pure TiO 2 under UV light. In contrast, the same nanocomposites were found to be less efficient to degrade ciprofloxacin than pure TiO 2 under visible and UV light. Therefore, this work showcases the relevance of an efficient matching between the catalyst and the molecular properties and structure of the pollutant.

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Section: Discussionmentioning

confidence: 99%

TiO 2 /graphene and TiO 2 /graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study

Martins

Ferreira

Silva

et al. 2018

Composites Part B: Engineering

117

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“…The single GO sheets may also be embedded into the polymer matrix, which causes the DBSA–PANI particles to become adsorbed on their surfaces and this process then appears as dark surfaces in the HRTEM images of the materials [66]. Agglomerates appear as dark regions in the HRTEM images, thus supporting that single GO sheets are embedded into the polymer matrix and DBSA–PANI particles are adsorbed onto the surface of GO [67,68,69,70].…”

Section: Resultsmentioning

confidence: 99%

Graphene Oxide Decorated Nanometal-Poly(Anilino-Dodecylbenzene Sulfonic Acid) for Application in High Performance Supercapacitors

et al. 2019

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Graphene oxide (GO) decorated with silver (Ag), copper (Cu) or platinum (Pt) nanoparticles that are anchored on dodecylbenzene sulfonic acid (DBSA)-doped polyaniline (PANI) were prepared by a simple one-step method and applied as novel materials for high performance supercapacitors. High-resolution transmission electron microscopy (HRTEM) and high-resolution scanning electron microscopy (HRSEM) analyses revealed that a metal-decorated polymer matrix is embedded within the GO sheet. This caused the M/DBSA–PANI (M = Ag, Cu or Pt) particles to adsorb on the surface of the GO sheets, appearing as aggregated dark regions in the HRSEM images. The Fourier transform infrared (FTIR) spectroscopy studies revealed that GO was successfully produced and decorated with Ag, Cu or Pt nanoparticles anchored on DBSA–PANI. This was confirmed by the appearance of the GO signature epoxy C–O vibration band at 1040 cm−1 (which decreased upon the introduction of metal nanoparticle) and the PANI characteristic N–H stretching vibration band at 3144 cm−1 present only in the GO/M/DBSA–PANI systems. The composites were tested for their suitability as supercapacitor materials; and specific capacitance values of 206.4, 192.8 and 227.2 F·g−1 were determined for GO/Ag/DBSA–PANI, GO/Cu/DBSA–PANI and GO/Pt/DBSA–PANI, respectively. The GO/Pt/DBSA–PANI electrode exhibited the best specific capacitance value of the three electrodes and also had twice the specific capacitance value reported for Graphene/MnO2//ACN (113.5 F·g−1). This makes GO/Pt/DBSA–PANI a very promising organic supercapacitor material.

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“…These functionalized versions of graphene have considerably more complex structures [41] and simple expressions cannot be readily obtained for their electronic or optical response properties. However, due to its interest for optoelectronic applications [49], many Density Functional Theory (DFT) studies have been published on the linear optical properties of oxidized graphene sheets [42,[50][51][52]. Most of the results demonstrate that, at least for moderately oxidized graphene, the optical conductivity retains a purely dissipative plateau in the mid-infrared [52] with a value that departs from the universal conductivity found in pristine graphene.…”

Section: Optical Response Of Graphene and Graphene-oxidementioning

confidence: 99%

Environmental Sensitivity of Fabry-Perot Microcavities Induced By Layered Graphene-Dielectric Hybrid Coatings

Peixoto,

Pires,

Monteiro

et al. 2021

Preprint

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We propose a novel fiber-based environmental sensor that exploits the reflection phase shift tunability provided by the use of layered coatings composed of dielectric slabs spaced by conducting membranes. A transfer matrix study is done in a simplified theoretical model, for which an enhanced sensitivity of the reflection interference pattern to the output medium is demonstrated, in the typical refractive index range of liquid media. An experimental configuration using a cascaded Fabry-Perot microcavity coated by a graphene oxide/polyethylenimine (GO/PEI) multilayered structure is demonstrated. Its cost effective chemical production method makes graphene oxide-based hybrid coatings excellent candidates for future real-life sensing devices.

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First principles study on optical response of graphene oxides: From reduced graphene oxide to the fully oxidized surface

Cited by 27 publications

References 37 publications

TiO 2 /graphene and TiO 2 /graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study

TiO 2 /graphene and TiO 2 /graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study

Graphene Oxide Decorated Nanometal-Poly(Anilino-Dodecylbenzene Sulfonic Acid) for Application in High Performance Supercapacitors

Environmental Sensitivity of Fabry-Perot Microcavities Induced By Layered Graphene-Dielectric Hybrid Coatings

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