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Journal articles on the topic 'Functionalized graphene'

Author: Grafiati

Published: 4 June 2021

Last updated: 7 September 2023

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1

Zarafu, Irina, Ioana Turcu, Daniela Culiță, et al. "Antimicrobial Features of Organic Functionalized Graphene-Oxide with Selected Amines." Materials 11, no. 9 (2018): 1704. http://dx.doi.org/10.3390/ma11091704.

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(1) Background: Graphene oxide is a new carbon-based material that contains functional groups (carboxyl, hydroxyl, carbonyl, epoxy) and therefore can be easily functionalized with organic compounds of interest, yielding hybrid materials with important properties and applications. (2) Methods: Graphene oxide has been obtained by a modified Hummers method and activated by thionyl chloride in order to be covalently functionalized with amines. Thus obtained hybrid materials were characterized by infrared and Raman spectroscopy, elemental analysis and scanning electron microscopy and then tested for their antimicrobial and anti-biofilm activity. (3) Results: Eight amines of interest were used to functionalize grapheme oxide and the materials thus obtained were tested against Gram-negative (Escherichia coli, Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus) bacterial strainsin plankonic and biofilm growth state. Both amines, as well as the functionalized materials, exhibited anti-microbial features. Three to five functionalized graphene oxide materials exhibited improved inhibitory activity against planktonic strains as compared with the respective amines. In exchange, the amines alone proved generally more efficient against biofilm-embedded cells. (4) Conclusions: Such hybrid materials may have a wide range of potential use in biomedical applications.

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2

Tene, Talia, Stefano Bellucci, Marco Guevara, et al. "Adsorption of Mercury on Oxidized Graphenes." Nanomaterials 12, no. 17 (2022): 3025. http://dx.doi.org/10.3390/nano12173025.

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Graphene oxide (GO) and its reduced form, reduced graphene oxide (rGO), are among the most predominant graphene derivatives because their unique properties make them efficient adsorbent nanomaterials for water treatment. Although extra-functionalized GO and rGO are customarily employed for the removal of pollutants from aqueous solutions, the adsorption of heavy metals on non-extra-functionalized oxidized graphenes has not been thoroughly studied. Herein, the adsorption of mercury(II) (Hg(II)) on eco-friendly-prepared oxidized graphenes is reported. The work covers the preparation of GO and rGO as well as their characterization. In a further stage, the description of the adsorption mechanism is developed in terms of the kinetics, the associated isotherms, and the thermodynamics of the process. The interaction between Hg(II) and different positions of the oxidized graphene surface is explored by DFT calculations. The study outcomes particularly demonstrate that pristine rGO has better adsorbent properties compared to pristine GO and even other extra-functionalized ones.

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3

Muraru, Sebastian, Cosmin G. Samoila, Emil I. Slusanschi, Jorge S. Burns, and Mariana Ionita. "Molecular Dynamics Simulations of DNA Adsorption on Graphene Oxide and Reduced Graphene Oxide-PEG-NH2 in the Presence of Mg2+ and Cl− ions." Coatings 10, no. 3 (2020): 289. http://dx.doi.org/10.3390/coatings10030289.

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Graphene and its functionalised derivatives are transforming the development of biosensors that are capable of detecting nucleic acid hybridization. Using a Molecular Dynamics (MD) approach, we explored single-stranded or double-stranded deoxyribose nucleic acid (ssDNA or dsDNA) adsorption on two graphenic species: graphene oxide (GO) and reduced graphene oxide functionalized with aminated polyethylene glycol (rGO-PEG-NH2). Innovatively, we included chloride (Cl−) and magnesium (Mg2+) ions that influenced both the ssDNA and dsDNA adsorption on GO and rGO-PEG-NH2 surfaces. Unlike Cl−, divalent Mg2+ ions formed bridges between the GO surface and DNA molecules, promoting adsorption through electrostatic interactions. For rGO-PEG-NH2, the Mg2+ ions were repulsed from the graphenic surface. The subsequent ssDNA adsorption, mainly influenced by electrostatic forces and hydrogen bonds, could be supported by π–π stacking interactions that were absent in the case of dsDNA. We provide a novel insight for guiding biosensor development.

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4

Song, Min, Juan Xu, and Changzi Wu. "The Effect of Surface Functionalization on the Immobilization of Gold Nanoparticles on Graphene Sheets." Journal of Nanotechnology 2012 (2012): 1–5. http://dx.doi.org/10.1155/2012/329318.

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In our study, graphene oxide is synthesized by Hummers method. And then, carboxylic acid functionalized graphene (graphene-COOH), thiol-functionalized graphene (graphene-SH), and highly dispersive graphene are prepared by chemical modification of respective groups on the graphene surface. Furthermore, we explore a solution-based approach to prepare three differently functionalized graphene-gold composites by one-step chemical reduction ofAuCl4 -ions in respective functionalized graphene suspensions, where the gold nanoparticles are deposited on the functionalized graphene surface during their synthesis process. In addition, we compare the influence of surface functionalization on the growth of gold nanoparticles on graphene surface. Transmission electron morphology (TEM) and ultraviolet-visible (UV-Vis) spectroscopy are employed to study the effect of surface functionalities on AuNPs distribution onto the graphene surface and demonstrate the successful immobilization of AuNPs on graphene surface.

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5

Gupta, Rajeev Kumar, Manisha Malviya, Chandrabhan Verma, Neeraj K. Gupta, and M. A. Quraishi. "Pyridine-based functionalized graphene oxides as a new class of corrosion inhibitors for mild steel: an experimental and DFT approach." RSC Advances 7, no. 62 (2017): 39063–74. http://dx.doi.org/10.1039/c7ra05825j.

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Two functionalized graphene oxides, diazo pyridine functionalized graphene oxide and diamino pyridine functionalized graphene oxide, were synthesised and evaluated as corrosion inhibitors on mild steel in 1 M hydrochloric acid.

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6

Kim, D. S., V. Dhand, K. Y. Rhee, and S. J. Park. "Surface Treatment And Modification Of Graphene Using Organosilane And Its Thermal Stability." Archives of Metallurgy and Materials 60, no. 2 (2015): 1387–91. http://dx.doi.org/10.1515/amm-2015-0137.

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Abstract In this study, graphene was functionalized via acid oxidation in the presence of a mixture of concentrated sulfuric acid and nitric acid. The oxidized graphene was silanized using the coupling agent, 3-aminopropyltriethoxsilane, resulting in functionalized graphene. The oxidized graphene and functionalized graphene were characterized by X-Ray diffraction, Fourier transform infrared spectroscopy, High-resolution micro Raman spectroscopy, thermogravimetric analysis, and atomic force microscopy to confirm the presence of functional moieties on the graphene surface. Thermal studies also demonstrate that the functionalized material is thermally stable up to higher temperatures.

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7

Zhao, C. H., X. P. Zhang, and L. Zhang. "RGD peptide functionalized graphene oxide: a bioactive surface for cell-material interactions." Digest Journal of Nanomaterials and Biostructures 17, no. 3 (2022): 989–97. http://dx.doi.org/10.15251/djnb.2022.173.989.

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Recently, functionalized graphene-based nanomaterials have gained tremendous attention in biomedical field owing to their biocompatibility, surface functionalizability and their unique mechanical, electronic, and optical properties. Herein, we report a facile one step modification of graphene oxide by RGD peptide, which is known to improve the tissue– material contact by highly specific binding to cellular membrane receptors known as integrins. A detailed structural and morphological characterization of the obtained RGD functionalized graphene oxide (GO-RGD) was performed. The synthesized bioactive composite was used to prepare RGD-GO films by a vacuum filtration method. Additionally, mouse osteoblastic cell (MC3T3-E1) functions including cell attachment, adhesion, proliferation, and differentiation were investigated on GO-RGD films. The results indicated that MC3T3-E1 cell functions were significantly enhanced on GO-RGD films comparing with GO films without functionalization. This study not only demonstrates a facile approach to functionalize graphene oxide with bioactive peptides, but also provides a potential biomaterial for bone repair by improving osteoblastic cell functions.

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8

Chen, Duoli, Chaoliang Gan, Xiaoqiang Fan, et al. "Improving the Dynamic Mechanical Properties of XNBR Using ILs/KH550-Functionalized Multilayer Graphene." Materials 12, no. 17 (2019): 2800. http://dx.doi.org/10.3390/ma12172800.

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Graphene has been considered an ideal nanoscale reinforced phase for preparing high-performance composites, but the poor compatibility and weak interfacial interaction with the matrix have limited its application. Here a highly effective and environmentally friendly method for the functionalization of graphene is proposed through an interaction between as-exfoliated graphene and (3-aminopropyl) triethoxysilane (KH550), in which 1-butylsulfonate-3-methylimidazolium bisulfate (BSO3HMIm)(HSO4) ionic-liquids-modified graphene was prepared via an electrochemical exfoliation of graphite in (BSO3HMIm)(HSO4) solution, then (BSO3HMIm)(HSO4)-modified graphene as a precursor was reacted with amine groups of KH550 for obtaining (BSO3HMIm)(HSO4)/KH550-functionalized graphene. The final products as filler into carboxylated acrylonitrile‒butadiene rubber (XNBR) improve the dynamic mechanical properties. The improvement in the dynamic mechanical properties of the nanocomposite mainly depends on high interfacial interaction and graphene’s performance characteristics, as well as a good dispersion between functionalized graphene and the XNBR matrix.

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9

Abbas, S. S., and T. McNally. "Composites of Cysteamine Functionalised Graphene Oxide and Polypropylene." International Polymer Processing 36, no. 3 (2021): 297–313. http://dx.doi.org/10.1515/ipp-2020-4079.

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Abstract Cysteamine functionalised reduced graphene oxide (rGO) was grafted to polypropylene-graft-maleic anhydride (PP-g-MA) and subsequently melt blended with PP. The covalent bridging of rGO to PP-g-MA via the cysteamine molecule and co-crystallization are routes to promoting interfacial interactions between rGO and the PP matrix. A rheological percolation threshold was achieved for a nanofiller loading between 3 wt% and 5 wt%, but none detected for the composites prepared with un-functionalized rGO. At low loadings (0.1 wt%), functionalized rGO is well dispersed in the PP matrix, an interconnecting filler-filler, polymer-filler and polymer-polymer network is formed, resulting in increased tensile toughness (1 500%) and elongation at break (40%) relative to neat PP. Irrespective of whether the rGO was functionalised or not, it had a significant effect on the crystallization behavior of PP, inducing heterogeneous nucleation, increasing the crystallisation temperature (Tm) of PP by up to 10°C and decreasing the crystalline content (Xc) by ∼30% for the highest (5 wt%) filler loading. The growth of the monoclinic a-phase of PP is preferred on addition of functionalised rGO and b crystal growth suppressed.

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10

Strankowski, Michał, Damian Włodarczyk, Łukasz Piszczyk, and Justyna Strankowska. "Polyurethane Nanocomposites Containing Reduced Graphene Oxide, FTIR, Raman, and XRD Studies." Journal of Spectroscopy 2016 (2016): 1–6. http://dx.doi.org/10.1155/2016/7520741.

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Recently, graphene and other graphene-based materials have become an essential part of composite science and technology. Their unique properties are not only restricted to graphene but also shared with derivative compounds like graphene oxide, reduced graphene oxide, functionalized graphene, and so forth. One of the most structurally important materials, graphene oxide (GO), is prepared by the oxidation of graphite. Though removal of the oxide groups can create vacancies and structural defects, reduced graphene oxide (rGO) is used in composites as effective filler similar to GO. Authors developed a new polyurethane nanocomposite using a derivative of grapheme, thermally reduced graphene oxide (rGO), to modify the matrix of polyurethane elastomers, by rGO.

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11

Zhang, Chunling, Xueyan Dai, Yingnan Wang, et al. "Preparation and Corrosion Resistance of ETEO Modified Graphene Oxide/Epoxy Resin Coating." Coatings 9, no. 1 (2019): 46. http://dx.doi.org/10.3390/coatings9010046.

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Improving the corrosion resistance of epoxy resin coatings has become the focus of current research. This study focuses on synthesizing a functionalized silane coupling agent (2-(3,4-epoxycyclohexyl)ethyl triethoxysilane) to modify the surface of graphene oxide to address nanomaterial agglomeration and enhance the coating resistance of the epoxy resin coating to corrosion by filling the coating with functionalized graphene oxide. Functionalized graphene oxide and coatings filled with functionalized graphene oxide were characterized by Fourier transform infrared spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, and transmission electron microscopy. The corrosion performance of each coating was studied by electrochemical impedance spectroscopy and a salt spray test. Results showed that the incorporation of functionalized graphene oxide enhances the corrosion protection performance of the epoxy composite coating, and the composite coating exhibited the best anticorrosion performance when the amount of functionalized graphene oxide was 0.7 wt %.

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12

Prezhdo, Oleg V., Prashant V. Kamat, and George C. Schatz. "Virtual Issue: Graphene and Functionalized Graphene." Journal of Physical Chemistry C 115, no. 8 (2011): 3195–97. http://dx.doi.org/10.1021/jp200538f.

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13

Tang, Xiaohui, Marc Debliquy, Driss Lahem, Yiyi Yan, and Jean-Pierre Raskin. "A Review on Functionalized Graphene Sensors for Detection of Ammonia." Sensors 21, no. 4 (2021): 1443. http://dx.doi.org/10.3390/s21041443.

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Since the first graphene gas sensor has been reported, functionalized graphene gas sensors have already attracted a lot of research interest due to their potential for high sensitivity, great selectivity, and fast detection of various gases. In this paper, we summarize the recent development and progression of functionalized graphene sensors for ammonia (NH3) detection at room temperature. We review graphene gas sensors functionalized by different materials, including metallic nanoparticles, metal oxides, organic molecules, and conducting polymers. The various sensing mechanism of functionalized graphene gas sensors are explained and compared. Meanwhile, some existing challenges that may hinder the sensor mass production are discussed and several related solutions are proposed. Possible opportunities and perspective applications of the graphene NH3 sensors are also presented.

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14

Zeng, Xiao Peng. "Modified Reduced Graphene Oxide with Enhanced Solubility and Conductivity and its Application." Advanced Materials Research 989-994 (July 2014): 859–62. http://dx.doi.org/10.4028/www.scientific.net/amr.989-994.859.

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Graphene oxide was modified with phenyl isocyanate first, and then reduced by a two step method-reduction with hydrazine hydrate first and an additional reduction in H2/Ar. The reduction with hydrazine hydrate in the first step can effectively remove the epoxy groups on the graphene, and the disposure of reduced graphene oxide (RGO) with H2 will change the residual amides and carbamate esters into conjugated C=N-ph structure. The introduced phenyl isocyanate not only acts as a functionalized group to prevent the aggregation of graphene but also will increase the electron concentration because of additional benzene. The resulted functionalized graphene can well dispersed in DMF, and the electrical conductivity of the functionalized graphene can reach 3.42×104S/m,which is far high than the method only reduce with the chemical reductant or H2/Ar. The prepared functionalized graphene is beneficial for the fabrication of graphene-based polymer nanocomposites. The conductivity of resulted modified graphene/PMMA composite with 5wt% filler content is 3.2S/m.

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15

Plekhanov A. Yu., Puzyk M. V., Usikov A. S., et al. "Chemiluminescence of a Functionalized Graphene Surface." Optics and Spectroscopy 130, no. 9 (2022): 1141. http://dx.doi.org/10.21883/eos.2022.09.54835.3628-22.

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To analyze the modification of the functionalized surface of graphene by protein molecules, a chemiluminescent enzyme-linked immunosorbent assay based method was proposed. Using the example of functionalized graphene (FG) purification, the possibilities of chemiluminescent control of the state of its surface are shown. Methods for purifying FG from protein molecules with the restoration of the ability to resorb protein molecules are discussed. It has been shown that the FG surface can be cleaned from sorbed proteins, and a biosensor can be designed again based on such purified graphene, including with a different specificity. Therefore, the graphene sensor can be used repeatedly. Keywords: functionalized graphene, 1-pyrenemethylamine hydrochloride, cyclic voltammetry, chemiluminescence, monoclonal antibodies, biosensors

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16

Ma, Baoguang, Cheng Chen, Xiaojun Xie, et al. "Aminobenzoic acid functionalized graphene oxide as environment-friendly corrosion inhibitors for Q235 steel in HCl solution: experimental and DFT studies." Anti-Corrosion Methods and Materials 68, no. 3 (2021): 229–37. http://dx.doi.org/10.1108/acmm-03-2021-2449.

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Purpose The purpose of this study is to provide effective and environmental-friendly corrosion inhibitors derived from graphene oxide for Q235 steel. Design/methodology/approach Nontoxic and environment-friendly 4-aminobenzoic acid was used to functionalize graphene oxide via amidation and diazotization. The obtained amidation 4-aminobenzoic acid functionalized graphene oxide (PAGO) and diazotization 4-aminobenzoic acid functionalized graphene oxide (PDGO) were characterized by FTIR, Raman and TEM, while the inhibition efficiencies were analyzed by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP). Furthermore, theoretical inhibition efficiencies were investigated by density functional theory (DFT) approach. Findings At a concentration of 40 ppm, the maximum inhibition efficiency of PAGO and PDGO were 97.90% and 96.72% in EIS measurement, respectively, which were in accordance with PDP data. Moreover, experimental results were supported by DFT-based quantum chemical calculation. Originality/value Environmental-friendly PAGO and PDGO were synthesized successfully. The synthetic inhibitors exhibited excellent inhibition efficiencies in EIS and PDP measurements. Furthermore, a computational study using DFT supported the trend that PAGO was better inhibitor than PDGO.

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Talapatra, Animesh, and Debasis Datta. "A molecular dynamics-based investigation on tribological properties of functionalized graphene reinforced thermoplastic polyurethane nanocomposites." Proceedings of the Institution of Mechanical Engineers, Part J: Journal of Engineering Tribology 235, no. 1 (2020): 61–78. http://dx.doi.org/10.1177/1350650120912612.

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Tribo-mechanical properties of pure thermoplastic polyurethane and functionalized monolayer graphene-reinforced thermoplastic polyurethane polymer nanocomposites are investigated by molecular dynamics simulations. Initially, the mechanical properties of the thermoplastic polyurethane and functionalized monolayer graphene-reinforced thermoplastic polyurethane nanocomposites are measured by applying constant stain method. Subsequently, interfacial layer models are developed to apply confined shear on the iron layers to find out the coefficient of friction and the abrasion rate of pure thermoplastic polyurethane and functionalized monolayer graphene-reinforced thermoplastic polyurethane nanocomposites. The results imply that by the incorporation of 0.5 wt.% functionalized monolayer, graphene shows the increase of 20% in Young’s modulus, 15% in shear modulus and 6.66% in bulk modulus of pure thermoplastic polyurethane, respectively, which are in good agreement with the previous experimental studies. Maximum enhancement of mechanical properties can be obtained up to 3 wt.% addition of functionalized monolayer graphene addition in thermoplastic polyurethane matrix. Further, it is observed that 3 wt.% of functionalized monolayer graphene-reinforced thermoplastic polyurethane nanocomposite results in minimum coefficient of friction (0.42) and abrasion rate (19%) under constant normal load (5 kcal/mol/Å) and maximum sliding velocity (11 m/s). However, further reduction in minimum values of coefficient of friction and abrasion rate at 3 wt.% of functionalized monolayer graphene-reinforced thermoplastic polyurethane nanocomposites is seen under the minimum sliding velocity (1 m/s) considered with the same normal load condition. Finally, the inherent mechanisms for enhancement of tribo-mechanical properties in functionalized monolayer graphene-reinforced thermoplastic polyurethane nanocomposites are analysed by the atomic density profile, free volume and Connolly surface at the atomic level.

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Mo, Xiaoju, Yan Wei, Xuehui Zhang, et al. "Enhanced Stem Cell Osteogenic Differentiation by Bioactive Glass Functionalized Graphene Oxide Substrates." Journal of Nanomaterials 2016 (2016): 1–11. http://dx.doi.org/10.1155/2016/5613980.

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An unmet need in engineered bone regeneration is to develop scaffolds capable of manipulating stem cells osteogenesis. Graphene oxide (GO) has been widely used as a biomaterial for various biomedical applications. However, it remains challenging to functionalize GO as ideal platform for specifically directing stem cell osteogenesis. Herein, we report facile functionalization of GO with dopamine and subsequent bioactive glass (BG) to enhance stem cell adhesion, spreading, and osteogenic differentiation. On the basis of graphene, we obtained dopamine functionalized graphene oxide/bioactive glass (DGO/BG) hybrid scaffolds containing different content of DGO by loading BG nanoparticles on graphene oxide surface using sol-gel method. To enhance the dispersion stability and facilitate subsequent nucleation of BG in GO, firstly, dopamine (DA) was used to modify GO. Then, the modified GO was functionalized with bioactive glass (BG) using sol-gel method. The adhesion, spreading, and osteoinductive effects of DGO/BG scaffold on rat bone marrow mesenchymal stem cells (rBMSCs) were evaluated. DGO/BG hybrid scaffolds with different content of DGO could influence rBMSCs’ behavior. The highest expression level of osteogenic markers suggests that the DGO/BG hybrid scaffolds have great potential or elicit desired bone reparative outcome.

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Wang, Tai-Yuan, Po-Ying Tseng, and Jia-Lin Tsai. "Characterization of Young’s modulus and thermal conductivity of graphene/epoxy nanocomposites." Journal of Composite Materials 53, no. 6 (2018): 835–47. http://dx.doi.org/10.1177/0021998318791681.

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Atomistic simulation together with micromechanical analysis was employed to characterize the Young’s modulus and thermal conductivity of graphene/epoxy nanocomposites. Nanocomposites containing pristine graphene, carboxyl (COOH)-functionalized graphene, and COOH- and amine (NH2)-functionalized graphene were considered in the simulations. The effect of atomistic interaction between the graphene and the surrounding epoxy was accounted for in the molecular dynamics simulations and then used to derive the effective properties of graphene. Subsequently, the Young’s modulus and thermal conductivity of nanocomposites containing randomly oriented graphene were modeled using the Mori–Tanaka micromechanical model. The results indicated that the COOH- and NH2-functionalized graphene nanocomposite had superior mechanical and thermal properties to the other two material systems. Moreover, the model predictions were in favorable agreement with the experimental data.

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20

Lin, Yirong, Gregory J. Ehlert, Colton Bukowsky, and Henry A. Sodano. "Superhydrophobic Functionalized Graphene Aerogels." ACS Applied Materials & Interfaces 3, no. 7 (2011): 2200–2203. http://dx.doi.org/10.1021/am200527j.

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21

Joo, Eun Hye, Tapas Kuila, Nam Hoon Kim, et al. "Electrochemically Preparation of Functionalized Graphene Using Sodium Dodecyl Benzene Sulfonate (SDBS)." Advanced Materials Research 747 (August 2013): 246–49. http://dx.doi.org/10.4028/www.scientific.net/amr.747.246.

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Preparation of functionalized graphene by electrochemical exfoliation of graphite rod using sodium dodecyl benzene sulfonate (SDBS) is reported. SDBS solution has been used as the electrolyte as well as functional groups. SDBD is an anionic surfactant which helps to provide uniform dispersion in water and prevents the π-π π-π stacking as well. XRD result indicates the formation of graphene whereas; the functionalization of graphene was confirmed through the FT-IR spectrum, which shows presence of peaks corresponding to SO3-. UV-vis spectroscopy demonstrates the dispersibility of SDBS-functionalized graphene, and peaks of SDBS and graphene appeared at 225 nm and 260nm, respectively. Raman spectroscopy show ID/IGIDIG ratio is < 1. It means that defects of SDBS-functionalized graphene are reduced.

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22

Żelechowska, Kamila, Marta Prześniak-Welenc, Marcin Łapiński, Izabela Kondratowicz, and Tadeusz Miruszewski. "Fully scalable one-pot method for the production of phosphonic graphene derivatives." Beilstein Journal of Nanotechnology 8 (May 18, 2017): 1094–103. http://dx.doi.org/10.3762/bjnano.8.111.

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Graphene oxide was functionalized with simultaneous reduction to produce phosphonated reduced graphene oxide in a novel, fully scalable, one-pot method. The phosphonic derivative of graphene was obtained through the reaction of graphene oxide with phosphorus trichloride in water. The newly synthesized reduced graphene oxide derivative was fully characterized by using spectroscopic methods along with thermal analysis. The morphology of the samples was examined by electron microscopy. The electrical studies revealed that the functionalized graphene derivative behaves in a way similar to chemically or thermally reduced graphene oxide, with an activation energy of 0.014 eV.

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Zhang, Xiang-Xiong, and Min Chen. "Icephobicity of Functionalized Graphene Surfaces." Journal of Nanomaterials 2016 (2016): 1–8. http://dx.doi.org/10.1155/2016/6731840.

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Manipulating the ice nucleation ability of liquid water by solid surface is of fundamental importance, especially in the design of icephobic surfaces. In this paper, the icephobicity of graphene surfaces functionalized by sodium ions, chloride ions, or methane molecules is investigated using molecular dynamics simulations. The icephobicity of the surface is evaluated by the freezing temperature. The freezing temperature on surface functionalized by methane molecules decreases at first and then increases as a function of the number groups, while the freezing temperature increases monotonically as a function of the number groups upon surfaces functionalized by sodium ions or chloride ions. The difference can be partially explained by the potential morphologies near the surfaces. Additionally, the validity of indicating the ice nucleation ability of water molecules using the number of six rings in the system is examined. Current study shows that the ice nucleation upon functionalized surfaces is inhibited when compared with smooth graphene substrate, which proves the feasibility of changing the icephobicity of the surfaces by functionalizing with certain ions or molecules.

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Melro, Liliana S., and Lars R. Jensen. "Interfacial characterization of functionalized graphene-epoxy composites." Journal of Composite Materials 54, no. 5 (2019): 703–10. http://dx.doi.org/10.1177/0021998319866252.

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The interface of graphene/epoxy was studied using molecular dynamics simulations by calculating the work of separation and traction-separation responses in the normal mode. The influence of functionalization of the graphene layers on the traction-separation behaviour was also examined by grafting hydroxyl, carboxyl, and carbonyl groups. It is shown that the magnitude of the maximum traction is clearly larger for functionalized graphene/epoxy systems as compared to pristine graphene. The work of adhesion also shows a clear difference in the interface behaviour of functionalized graphene/epoxy and pristine/epoxy systems with the presence of functional groups generating higher values of work of separation.

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Liu, Yu, Xin Yan Su, Shan Yi Guang, and Hong Yao Xu. "Polyaniline Grafted Amino-Functionalized Graphene Nanocomposite with Excellent Electrochemical Performance for Supercapacitor Electrode Materials." Materials Science Forum 789 (April 2014): 12–17. http://dx.doi.org/10.4028/www.scientific.net/msf.789.12.

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The amino-functionalized graphene/polyaniline nanocomposites (AGNS/PANI) were fabricated through in-situ chemical oxidative polymerization of aniline in the presence of amino-functionalized graphene sheets (AGNS). FTIR, UV-vis spectroscopy analyses revealed that aminophenyl groups covalently bound to the basal plane of graphene via a diazonium addition, and the polyaniline chains grafted to graphene sheets. The FE-SEM images show that PANI nanorods aligned vertically on the surface of graphene. The AGNS/PANI nanocomposite exhibits excellent electrochemical performance for supercapacitor electrode materials.

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Wang, Huan, Xin Lai, Wei Zhao, et al. "Efficient removal of crystal violet dye using EDTA/graphene oxide functionalized corncob: a novel low cost adsorbent." RSC Advances 9, no. 38 (2019): 21996–2003. http://dx.doi.org/10.1039/c9ra04003j.

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In this study, crystal violet dyes were adsorbed by EDTA functionalized corncob (EDTA-corncob) and EDTA/graphene oxide functionalized corncob (EDTA-GO/corncob), which were prepared using disodium ethylenediamine tetraacetic acid and the graphene oxide immersion method.

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Yu, You-sheng, Xiang Lu, Hong-ming Ding, and Yu-qiang Ma. "Computational investigation on DNA sequencing using functionalized graphene nanopores." Physical Chemistry Chemical Physics 20, no. 14 (2018): 9063–69. http://dx.doi.org/10.1039/c7cp07462j.

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Using all-atom molecular dynamic simulations, we herein not only propose a new method for efficient DNA sequencing using functionalized graphene nanopores, but also reveal the underlying mechanism of interactions among ions, DNA bases and functionalized graphene.

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Thema, F. T., M. J. Moloto, E. D. Dikio, et al. "Synthesis and Characterization of Graphene Thin Films by Chemical Reduction of Exfoliated and Intercalated Graphite Oxide." Journal of Chemistry 2013 (2013): 1–6. http://dx.doi.org/10.1155/2013/150536.

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Commercial flakes of graphite were prepared into functionalized graphene oxide (GO) by chemical treatment. After the exfoliation and intercalation of graphene into functionalized graphene oxide that formed stable colloidal dispersion in polar aprotic solvent, the reduction process was undertaken by continuous stirring with hydrazine hydrate. The reduced material was characterized by X-ray diffraction (XRD), attenuated total reflectance (ATR) FT-IR, ultraviolet visible (UV-vis), atomic force microscopy (AFM) and Raman spectroscopy which confirm the oxidation of graphite and reduction of graphene oxide into graphene sheet.

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Prasert, Kittiya, and Thana Sutthibutpong. "Unveiling the Fundamental Mechanisms of Graphene Oxide Selectivity on the Ascorbic Acid, Dopamine, and Uric Acid by Density Functional Theory Calculations and Charge Population Analysis." Sensors 21, no. 8 (2021): 2773. http://dx.doi.org/10.3390/s21082773.

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The selectivity of electrochemical sensors to ascorbic acid (AA), dopamine (DA), and uric acid (UA) remains an open challenge in the field of biosensing. In this study, the selective mechanisms for detecting AA, DA, and UA molecules on the graphene and graphene oxide substrates were illustrated through the charge population analysis from the density functional theory (DFT) calculation results. Our substrate models contained the 1:10 oxygen per carbon ratio of reduced graphene oxide, and the functionalized configurations were selected according to the formation energy. Geometry optimizations were performed for the AA, DA, and UA on the pristine graphene, epoxy-functionalized graphene, and hydroxyl-functionalized graphene at the DFT level with vdW-DF2 corrections. From the calculations, AA was bound to both epoxy and hydroxyl-functionalized GO with relatively low adsorption energy, while DA was adsorbed stronger to the electronegative epoxy groups. The strongest adsorption of UA to both functional groups corresponded to the largest amount of electron transfer through the pi orbitals. Local electron loss created local electric fields that opposed the electron transfer during an oxidation reaction. Our analysis agreed with the results from previous experimental studies and provided insight into other electrode modifications for electrochemical sensing.

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Dywili, Nomxolisi, Njagi Njomo, Chinwe O. Ikpo, et al. "Anilino-Functionalized Graphene Oxide Intercalated with Pt Metal Nanoparticles for Application as Supercapacitor Electrode Material." Journal of Nano Research 44 (November 2016): 79–89. http://dx.doi.org/10.4028/www.scientific.net/jnanor.44.79.

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Nanostructured anilino-functionalized reduced graphene oxide intercalated with Pt metal nanoparticles was successfully synthesized. Graphene oxide nanosheets were synthesized using a modified Hummers method with simultaneous in-situ functionalization with aniline and ionic Pt reduction and dispersion through sonication. The nanomaterial was characterised with FTIR, UV-visible, SEM, TEM, EDX, XRD and Raman spectroscopy to ascertain surface, chemical, elemental and crystalline properties, composite structures, size, morphology and successful entrapment of metal nanoparticles while the electro-conductivity of the nanomaterial was interrogated using CV. The graphene oxide was successfully functionalized with aniline with new peaks belonging to the N-H and C-N group being present and calculated band gaps of 5.35 eV and 4.39 eV which are attributed to functionalization of graphene oxide. The functionalized graphene oxide was successfully loaded with platinum nanoparticles as TEM revealed that the Pt particles are spread out on the graphene sheets and when magnified a uniform distribution of the nanoparticles can be observed. The material (functionalized graphene oxide loaded with platinum nanoparticles) was used in the design of an asymmetric supercapacitor cell using 6M KOH aqueous electrolyte. On testing by galvanostatic charge/discharge, a high specific capacitance value of 605 F/g with a corresponding energy and power densities of 0.021kWh/Kg and 0.372kW/Kg respectively, were obtained.

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Jiang, Yong, Min Wei, Jinkui Feng, Yuchen Ma, and Shenglin Xiong. "Enhancing the cycling stability of Na-ion batteries by bonding SnS2ultrafine nanocrystals on amino-functionalized graphene hybrid nanosheets." Energy & Environmental Science 9, no. 4 (2016): 1430–38. http://dx.doi.org/10.1039/c5ee03262h.

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An integrated composite tin sulfide bonded on an amino-functionalized graphene as a novel anode material for NIBs is reported. Tight contact with SnS<sub>2</sub>nanocrystals and discharge products on the amino-functionalized graphene interface results in excellent electrochemical performance.

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Wang, Haitao, Xiangdong Yang, Weidong Dou, et al. "Impact of Graphene Work Function on the Electronic Structures at the Interface between Graphene and Organic Molecules." Nanomaterials 9, no. 8 (2019): 1136. http://dx.doi.org/10.3390/nano9081136.

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The impact of graphene work function (WF) on the electronic structure at the graphene/organic interface has been investigated. WF manipulation of graphene is realized using self-assembled monolayers (SAMs) with different end groups. With this method, the upper surface of the functionalized graphene remains intact, and thus precludes changes of molecular orientation and packing structures of subsequently deposited active materials. The WF of NH2-SAM functionalized graphene is ~3.90 eV. On the other hand, the WF of graphene increases to ~5.38 eV on F-SAM. By tuning the WF of graphene, an upward band bending is found at the ZnPc/graphene interface on F-SAM. At the interface between C60 and NH2-SAM modified graphene, a downward band bending is observed.

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Samoechip, Wesarach, Prasit Pattananuwat, and Pranut Potiyaraj. "Synthesis of Graphene Functionalized Melamine and its Application for Supercapacitor Electrode." Key Engineering Materials 773 (July 2018): 128–32. http://dx.doi.org/10.4028/www.scientific.net/kem.773.128.

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In this work, we describe the development of graphene as energy storage materials that are supercapacitors. Melamine is successfully used as a Nitrogen source for graphene doping by simple reflux process. The influence of reducing agent ratio is also investigated to study the degree of reducing of graphene functionalized melamine on capacitive behavior. At reducing agent/graphene ratio of 1:1, the nitrogen functional graphene can deliver the highest specific capacitance of 333.38 F/g at 10mV/sec, which is much higher than that obtained from bare graphene. The increasing of reducing agent ratio higher than 1 tends to decrease the capacitive values of graphene functionalized melamine confirming the efficiency of doped Nitrogen content on graphene. This N-doped graphene feature can be viewed as the potentially ideal candidate materials for supercapacitor application.

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Manza, Hirasing T., Mangesh S. Dhore, and Shankar Amalraj. "2D Covalent Interaction of Aminophenol Functionalized Graphene Oxide." ECS Transactions 107, no. 1 (2022): 16531–37. http://dx.doi.org/10.1149/10701.16531ecst.

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The versatile applications of graphene oxide and its derivatives have attracted scientists to do keen research in the field of functionalized graphene oxide. Herein we report the synthesis of graphene oxide (GO) functionalized with 2,4-diaminophenol (2,4-DAP). This reaction is refluxing at 60oC for 18 hrs under the solvent of dimethylformamide (DMF). The graphene oxide is synthesized from graphite by modified hummer’s method. The developed product is subjected to X-ray diffraction spectroscopy (XRD) and infrared spectroscopy (IR). The results are revealing that the successful intercalation of amine group and GO to form GO-2,4-DAP product.

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Aswathi, R., Mohamed Mukthar Ali, Anurudha Shukla, and K. Y. Sandhya. "A green method to gold–graphene nanocomposite from cyclodextrin functionalized graphene for efficient non-enzymatic electrochemical sensing applications." RSC Advances 5, no. 40 (2015): 32027–33. http://dx.doi.org/10.1039/c4ra17323f.

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Here, we report a new and green method of synthesis of gold nanoparticle functionalized graphene (Au–Gr) from β-cyclodextrin functionalized Gr (CD–Gr) with excellent electrochemical sensing properties.

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Tene, Talia, Fabian Arias Arias, Marco Guevara, et al. "Adsorption Kinetics of Hg(II) on Eco-Friendly Prepared Oxidized Graphenes." Coatings 12, no. 8 (2022): 1154. http://dx.doi.org/10.3390/coatings12081154.

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Extra-functionalized oxidized graphenes are widely preferred for the removal of different pollutants, however, removal with pristine oxidized graphenes, i.e., graphene oxide (GO) and reduced graphene oxide (rGO) is vaguely explored. Herein, we report a comparative adsorption kinetics study of the removal of mercury(II) (Hg(II)) from water using eco-friendly prepared GO and rGO. This work consists of the synthesis protocol and the corresponding morphological and spectroscopical characterization of the obtained pristine adsorbents as well as the adsorption mechanism in terms of initial concentration, removal percentage, pseudo-first and pseudo-second-order models, intraparticle diffusion study, and pH analysis. In particular, scanning electron microscope (SEM) and transmission electron microscope (TEM) images evidence the presence of thin sheets with some defects on the GO structure, these defects substantially disappear in rGO, after reduction. Raman spectrum of rGO shows a less intense D* peak which is attributed to the diamond-like carbon phase. Most importantly, the equilibrium adsorption time in GO is 10 min with a removal percentage of ~28% while in rGO it is 20 min with a removal percentage of ~75%. The adsorption process of Hg(II) either in GO or rGO is more in line with the pseudo-second-order model, suggesting that the adsorption kinetics could be controlled by chemisorption. Our results evidence the interesting adsorbing properties of pristine oxidized graphenes and are expected to be useful for the proposal and study of non-extra functionalized graphene-based materials for water treatment.

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Schindler, Severin, Florian Vollnhals, Christian E. Halbig, et al. "Focused electron beam based direct-write fabrication of graphene and amorphous carbon from oxo-functionalized graphene on silicon dioxide." Physical Chemistry Chemical Physics 19, no. 4 (2017): 2683–86. http://dx.doi.org/10.1039/c6cp08070g.

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Farivar, Farzaneh, Pei Lay Yap, Tran Thanh Tung, and Dusan Losic. "Highly Water Dispersible Functionalized Graphene by Thermal Thiol-Ene Click Chemistry." Materials 14, no. 11 (2021): 2830. http://dx.doi.org/10.3390/ma14112830.

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Functionalization of pristine graphene to achieve high water dispersibility remains as a key obstacle owing to the high hydrophobicity and absence of reactive functional groups on the graphene surface. Herein, a green and simple modification approach to prepare highly dispersible functionalized graphene via thermal thiol-ene click reaction was successfully demonstrated on pristine graphene. Specific chemical functionalities (–COO, –NH2 and –S) on the thiol precursor (L-cysteine ethyl ester) were clicked directly on the sp2 carbon of graphene framework with grafting density of 1 unit L-cysteine per 113 carbon atoms on graphene. This functionalized graphene was confirmed with high atomic content of S (4.79 at % S) as well as the presence of C–S–C and N–H species on the L-cysteine functionalized graphene (FG-CYS). Raman spectroscopy evidently corroborated the modification of graphene to FG-CYS with an increased intensity ratio of D and G band, ID/IG ratio (0.3 to 0.7), full-width at half-maximum of G band, FWHM [G] (20.3 to 35.5) and FWHM [2D] (64.8 to 90.1). The use of ethanol as the reaction solvent instead of common organic solvents minimizes the chemical hazards exposure to humans and the environment. This direct attachment of multifunctional groups on the surface of pristine graphene is highly demanded for graphene ink formulations, coatings, adsorbents, sensors and supercapacitor applications.

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Spitalsky, Zdenko, Martin Danko, and Jaroslav Mosnacek. "Preparation of Functionalized Graphene Sheets." Current Organic Chemistry 15, no. 8 (2011): 1133–50. http://dx.doi.org/10.2174/138527211795202988.

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Lin, Ziyin, Yan Liu, Yagang Yao, et al. "Superior Capacitance of Functionalized Graphene." Journal of Physical Chemistry C 115, no. 14 (2011): 7120–25. http://dx.doi.org/10.1021/jp2007073.

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Darkrim Lamari, F., and D. Levesque. "Hydrogen adsorption on functionalized graphene." Carbon 49, no. 15 (2011): 5196–200. http://dx.doi.org/10.1016/j.carbon.2011.07.036.

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Kim, Jeong Yun, Joo-Hyoung Lee, and Jeffrey C. Grossman. "Thermal Transport in Functionalized Graphene." ACS Nano 6, no. 10 (2012): 9050–57. http://dx.doi.org/10.1021/nn3031595.

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Majchrzycki, Ł., M. A. Augustyniak-Jabłokow, R. Strzelczyk, and M. Maćkowiak. "Magnetic Centres in Functionalized Graphene." Acta Physica Polonica A 127, no. 2 (2015): 540–42. http://dx.doi.org/10.12693/aphyspola.127.540.

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Niyogi, Sandip, Elena Bekyarova, Mikhail E. Itkis, et al. "Spectroscopy of Covalently Functionalized Graphene." Nano Letters 10, no. 10 (2010): 4061–66. http://dx.doi.org/10.1021/nl1021128.

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Chang, Dong Wook, Hyun-Jung Choi, In-Yup Jeon, and Jong-Beom Baek. "Edge-Selectively Functionalized Graphene Nanoplatelets." Chemical Record 13, no. 2 (2013): 224–38. http://dx.doi.org/10.1002/tcr.201200032.

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Berghäuser, Gunnar, and Ermin Malić. "Optical properties of functionalized graphene." physica status solidi (b) 250, no. 12 (2013): 2678–80. http://dx.doi.org/10.1002/pssb.201300181.

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Al Mahmud, Hashim, Matthew S. Radue, William A. Pisani, and Gregory M. Odegard. "Computational Modeling of Hybrid Carbon Fiber/Epoxy Composites Reinforced with Functionalized and Non-Functionalized Graphene Nanoplatelets." Nanomaterials 11, no. 11 (2021): 2919. http://dx.doi.org/10.3390/nano11112919.

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The mechanical properties of aerospace carbon fiber/graphene nanoplatelet/epoxy hybrid composites reinforced with pristine graphene nanoplatelets (GNP), highly concentrated graphene oxide (GO), and Functionalized Graphene Oxide (FGO) are investigated in this study. By utilizing molecular dynamics data from the literature, the bulk-level mechanical properties of hybrid composites are predicted using micromechanics techniques for different graphene nanoplatelet types, nanoplatelet volume fractions, nanoplatelet aspect ratios, carbon fiber volume fractions, and laminate lay-ups (unidirectional, cross-ply, and angle-ply). For the unidirectional hybrid composites, the results indicate that the shear and transverse properties are significantly affected by the nanoplatelet type, loading and aspect ratio. For the cross-ply and angle ply hybrid laminates, the effect of the nanoplate’s parameters on the mechanical properties is minimal when using volume fractions and aspect ratios that are typically used experimentally. The results of this study can be used in the design of hybrid composites to tailor specific laminate properties by adjusting nanoplatelet parameters.

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Dai, Yongqiang, Hao Pang, Jianheng Huang, et al. "Tailoring of ammonia reduced graphene oxide into amine functionalized graphene quantum dots through a Hofmann rearrangement." RSC Advances 6, no. 41 (2016): 34514–20. http://dx.doi.org/10.1039/c6ra01587e.

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Kar, Srabani, Dipti R. Mohapatra, and A. K. Sood. "Tunable terahertz photoconductivity of hydrogen functionalized graphene using optical pump-terahertz probe spectroscopy." Nanoscale 10, no. 29 (2018): 14321–30. http://dx.doi.org/10.1039/c8nr04154g.

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We show that the terahertz photoconductivity of monolayer graphene following 800 nm femtosecond optical pump excitation can be tuned by different levels of hydrogenation (graphane) and provide a quantitative understanding of the unique spectral dependence of photoconductivity.

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Dehghanzad, Behzad, Mir Karim Razavi Aghjeh, Omid Rafeie, Akram Tavakoli, and Amin Jameie Oskooie. "Synthesis and characterization of graphene and functionalized graphene via chemical and thermal treatment methods." RSC Advances 6, no. 5 (2016): 3578–85. http://dx.doi.org/10.1039/c5ra19954a.

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Graphene oxide was chemically synthesized, functionalized with dodecyl amine and then reduced. The graphene oxide was also thermally reduced to obtain graphene. Different analyses were employed to structural characterization of the materials.

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