Search results for: Graphene Nanocomposites
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 657

Search results for: Graphene Nanocomposites

597 Fe-Doped Graphene Nanoparticles for Gas Sensing Applications

Authors: Shivani A. Singh, Pravin S. More

Abstract:

In the present inspection, we indicate the falsification of Fe-doped graphene nanoparticles by modified Hummers method. Structural and physiochemical properties of the resulting pallets were explored with the help of ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), Photoluminescence spectroscopy (PL) for graphene sample exhibits absorption peaks ~248nm. Pure graphene shows PL peak at 348 nm. After doping of Fe with graphene the PL peak shifted from 348 nm to 332 nm. The oxidation degree, i.e. the relative amount of oxygen functional groups was estimated from the relative intensities of the oxygen related bands (ORB) in the FTIR measurements. These analyses show that this modified material can be useful for gas sensing applications and to be used in diverse areas.

Keywords: chemical doping, graphene, gas sensing, sensing

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596 Molecular Dynamics Simulation on Nanoelectromechanical Graphene Nanoflake Shuttle Device

Authors: Eunae Lee, Oh-Kuen Kwon, Ki-Sub Kim, Jeong Won Kang

Abstract:

We investigated the dynamic properties of graphene-nanoribbon (GNR) memory encapsulating graphene-nanoflake (GNF) shuttle in the potential to be applicable as a non-volatile random access memory via molecular dynamics simulations. This work explicitly demonstrates that the GNR encapsulating the GNF shuttle can be applied to nonvolatile memory. The potential well was originated by the increase of the attractive vdW energy between the GNRs when the GNF approached the edges of the GNRs. So the bistable positions were located near the edges of the GNRs. Such a nanoelectromechanical non-volatile memory based on graphene is also applicable to the development of switches, sensors, and quantum computing.

Keywords: graphene nanoribbon, graphene nanoflake, shuttle memory, molecular dynamics

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595 Characterization of Graphene Oxide Coated Gold Electrodes for Bioimpedance Measurements

Authors: Fatma Gülden Şi̇mşek, Osman Meli̇h Can, Mehmet Yumak, Bora Gari̇pcan, Yekta Ülgen

Abstract:

In this study, the impedance spectroscopy is used as a detection tool in order to characterize surface coating with graphene oxide. Gold electrodes are produced by standard lithography procedures and then coated with graphene oxide using self-assembly method. The impedance of redox solution through bare gold electrodes and graphene oxide coated gold electrodes is measured in the low and high frequency range. The graphene oxide coating reduces the impedance value of the gold electrode and this reduction is distinguishable in the low-frequency range.

Keywords: bioimpedance, electrode characterization, graphene oxide, gold electrodes, impedance spectroscopy

Procedia PDF Downloads 541
594 An Atomic Finite Element Model for Mechanical Properties of Graphene Sheets

Authors: Win-Jin Chang, Haw-Long Lee, Yu-Ching Yang

Abstract:

In this study, we use the atomic-scale finite element method to investigate the mechanical behavior of the armchair- and zigzag-structured nanoporous graphene sheets with the clamped-free-free-free boundary condition under tension and shear loadings. The effect of porosity on Young’s modulus and shear modulus of nanoporous graphene sheets is obvious. For the armchair- and zigzag-structured nanoporous graphene sheets, Young’s modulus and shear modulus decreases with increasing porosity. Young’s modulus and shear modulus of zigzag graphene are larger than that of armchair one for the same porosity. The results are useful for application in the design of nanoporous graphene sheets.

Keywords: graphene, nanoporous, Young's modulus, shear modulus

Procedia PDF Downloads 397
593 Barrier Lowering in Contacts between Graphene and Semiconductor Materials

Authors: Zhipeng Dong, Jing Guo

Abstract:

Graphene-semiconductor contacts have been extensively studied recently, both as a stand-alone diode device for potential applications in photodetectors and solar cells, and as a building block to vertical transistors. Graphene is a two-dimensional nanomaterial with vanishing density-of-states at the Dirac point, which differs from conventional metal. In this work, image-charge-induced barrier lowering (BL) in graphene-semiconductor contacts is studied and compared to that in metal Schottky contacts. The results show that despite of being a semimetal with vanishing density-of-states at the Dirac point, the image-charge-induced BL is significant. The BL value can be over 50% of that of metal contacts even in an intrinsic graphene contacted to an organic semiconductor, and it increases as the graphene doping increases. The dependences of the BL on the electric field and semiconductor dielectric constant are examined, and an empirical expression for estimating the image-charge-induced BL in graphene-semiconductor contacts is provided.

Keywords: graphene, semiconductor materials, schottky barrier, image charge, contacts

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592 Nanoindentation Behavior and Physical Properties of Polyvinyl Chloride /Styrene Co-Maleic Anhydride Blend Reinforced by Nano-Bentonite

Authors: Dalia Elsawy Abulyazied, Samia Mohamad Mokhtar, Ahmed Magdy Motawie

Abstract:

This article studies the effects of nano-bentonite on the structure and properties of polymer blends nanocomposites, based on polyvinyl chloride (PVC) and styrene co-maleic anhydride (SMA) blend. Modification of Egyptian bentonite (EB) is carried out using organo-modifier namely; octadecylamine (ODA). Octadecylamine bentonite (ODA-B) is characterized using FTIR, XRD and TEM. Nanocomposites of PVC/SMA/ODA-B are prepared by solution intercalation polymerization from 0.50 up to 5 phr. The nanocomposites are characterized by XRD and TEM. Thermal behavior of the nanocomposites is studied. The effect of different content of ODA-B on the nano-mechanical properties is investigated by a nano-indentation test method. Also the swelling and electrical properties of the nanocomposites are measured. The morphology of the nanocomposites shows that ODA-B achieved good dispersion in the PVC/SMA matrix. The thermal stability of the nanocomposites is enhanced due to the presence of the ODA-B. Incorporation of 0.5, 1, 3 and 5 phr. ODA-B into the PVC/SMA blends results in an improvement in nano-hardness of 16%, 76%, 92%, and 68% respectively. The elastic modulus increased by 37% from 4.59 GPa for unreinforced PVC/SMA blend to 6.30 GPa for 3 phr. The cross-link density and the electrical conductivity of the nanocomposites are increased with increasing the content of ODA-B.

Keywords: PVC, SMA, nanocomposites, nano-bentonite, nanoindentation, crosslink density

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591 Graphene Materials for Efficient Hybrid Solar Cells: A Spectroscopic Investigation

Authors: Mohammed Khenfouch, Fokotsa V. Molefe, Bakang M. Mothudi

Abstract:

Nowadays, graphene and its composites are universally known as promising materials. They show their potential in a large field of applications including photovoltaics. This study reports on the role of nanohybrids and nanosystems known as strong light harvesters in the efficiency of graphene hybrid solar cells. Our system included Graphene/ZnO/Porphyrin/P3HT layers. Moreover, the physical properties including surface/interface, optical and vibrational properties were also studied. Our investigations confirmed the interaction between the different components as well as the sensitivity of their photonics to the synthesis conditions. Remarkable energy and charge transfer were detected and deeply investigated. Hence, the optimization of the conditions will lead to the fabrication of higher conversion efficiency in graphene solar cells.

Keywords: graphene, optoelectronics, nanohybrids, solar cells

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590 High Capacity SnO₂/Graphene Composite Anode Materials for Li-Ion Batteries

Authors: Hilal Köse, Şeyma Dombaycıoğlu, Ali Osman Aydın, Hatem Akbulut

Abstract:

Rechargeable lithium-ion batteries (LIBs) have become promising power sources for a wide range of applications, such as mobile communication devices, portable electronic devices and electrical/hybrid vehicles due to their long cycle life, high voltage and high energy density. Graphite, as anode material, has been widely used owing to its extraordinary electronic transport properties, large surface area, and high electrocatalytic activities although its limited specific capacity (372 mAh g-1) cannot fulfil the increasing demand for lithium-ion batteries with higher energy density. To settle this problem, many studies have been taken into consideration to investigate new electrode materials and metal oxide/graphene composites are selected as a kind of promising material for lithium ion batteries as their specific capacities are much higher than graphene. Among them, SnO₂, an n-type and wide band gap semiconductor, has attracted much attention as an anode material for the new-generation lithium-ion batteries with its high theoretical capacity (790 mAh g-1). However, it suffers from large volume changes and agglomeration associated with the Li-ion insertion and extraction processes, which brings about failure and loss of electrical contact of the anode. In addition, there is also a huge irreversible capacity during the first cycle due to the formation of amorphous Li₂O matrix. To obtain high capacity anode materials, we studied on the synthesis and characterization of SnO₂-Graphene nanocomposites and investigated the capacity of this free-standing anode material in this work. For this aim, firstly, graphite oxide was obtained from graphite powder using the method described by Hummers method. To prepare the nanocomposites as free-standing anode, graphite oxide particles were ultrasonicated in distilled water with SnO2 nanoparticles (1:1, w/w). After vacuum filtration, the GO-SnO₂ paper was peeled off from the PVDF membrane to obtain a flexible, free-standing GO paper. Then, GO structure was reduced in hydrazine solution. Produced SnO2- graphene nanocomposites were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectrometer (EDS), and X-ray diffraction (XRD) analyses. CR2016 cells were assembled in a glove box (MBraun-Labstar). The cells were charged and discharged at 25°C between fixed voltage limits (2.5 V to 0.2 V) at a constant current density on a BST8-MA MTI model battery tester with 0.2C charge-discharge rate. Cyclic voltammetry (CV) was performed at the scan rate of 0.1 mVs-1 and electrochemical impedance spectroscopy (EIS) measurements were carried out using Gamry Instrument applying a sine wave of 10 mV amplitude over a frequency range of 1000 kHz-0.01 Hz.

Keywords: SnO₂-graphene, nanocomposite, anode, Li-ion battery

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589 Evaluation of Cytotoxic Effect of Mitoxantrone Conjugated Magnetite Nanoparticles and Graphene Oxide-Magnetite Nanocomposites on Mesenchymal Stem Cells

Authors: Abbas Jafarizad, Duygu Ekinci

Abstract:

In this work targeted drug delivery is proposed to decrease adverse effect of drugs with concomitant reduces in consumption and treatment outgoings. Nanoparticles (NPs) can be prepared from a variety of materials such as lipid, biodegradable polymer that prevent the drugs cytotoxicity in healthy cells, etc. One of the most important drugs used in chemotherapy is mitoxantrone (MTX) which prevents cell proliferation by inhibition of topoisomerase II and DNA repair; however, it is not selective and has some serious side effects. In this study, mentioned aim is achieved by using several nanocarriers like magnetite (Fe3O4) and their composites with magnetic graphene oxide (Fe3O4@GO). Also, cytotoxic potential of Fe3O4, Fe3O4-MTX, and Fe3O4@GO-MTX nanocomposite were evaluated on mesenchymal stem cells (MSCs). In this study, we reported the synthesis of monodisperse Fe3O4 NPs and Fe3O4@GO nanocomposite and their structures were investigated by using field emission scanning electron microscope (FESEM), Fourier transform infrared (FTIR) spectra, atomic force microscopy (AFM), Brauneur Emmet Teller (BET) isotherm and contact angle studies. Moreover, we used 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay to evaluate cytotoxic effects of MTX, Fe3O4 NPs, Fe3O4-MTX and Fe3O4@GO-MTX nanocomposite on MSCs. The in-vitro MTT results indicated that all concentrations of MTX and Fe3O4@GO-MTX nanocomposites showed cytotoxic effects while all concentrations of Fe3O4 NPs and Fe3O4-MTX NPs did not show any cytotoxic effect on stem cells. The results from this study indicated that using Fe3O4 NPs as anticancer drug delivery systems could be a trustworthy method for cancer treatment. But for reaching excellent and accurate results, further investigation is necessary.

Keywords: mitoxantrone, magnetite, magnetic graphene oxide, MTT assay, mesenchymal stem cells

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588 Rb-Modified Few-Layered Graphene for Gas Sensing Application

Authors: Vasant Reddy, Shivani A. Singh, Pravin S. More

Abstract:

In the present investigation, we demonstrated the fabrication of few-layers of graphene sheets with alkali metal i.e. Rb-G using chemical route method. The obtained materials were characterized by means of chemical, structural and electrical techniques, using the ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and 4 points probe, respectively. The XRD studies were carried out to understand the phase of the samples where we found a sharp peak of Rb-G at 26.470. UV-Spectroscopy of Graphene and Rb-modified graphene samples shows the absorption peaks at ~248 nm and ~318 nm respectively. These analyses show that this modified material can be useful for gas sensing applications and to be used in diverse areas.

Keywords: chemical route, graphene, gas sensing, UV-spectroscopy

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587 Two-Dimensional Nanostack Based On Chip Wiring

Authors: Nikhil Jain, Bin Yu

Abstract:

The material behavior of graphene, a single layer of carbon lattice, is extremely sensitive to its dielectric environment. We demonstrate improvement in electronic performance of graphene nanowire interconnects with full encapsulation by lattice-matching, chemically inert, 2D layered insulator hexagonal boron nitride (h-BN). A novel layer-based transfer technique is developed to construct the h-BN/MLG/h-BN heterostructures. The encapsulated graphene wires are characterized and compared with that on SiO2 or h-BN substrate without passivating h-BN layer. Significant improvements in maximum current-carrying density, breakdown threshold, and power density in encapsulated graphene wires are observed. These critical improvements are achieved without compromising the carrier transport characteristics in graphene. Furthermore, graphene wires exhibit electrical behavior less insensitive to ambient conditions, as compared with the non-passivated ones. Overall, h-BN/graphene/h-BN heterostructure presents a robust material platform towards the implementation of high-speed carbon-based interconnects.

Keywords: two-dimensional nanosheet, graphene, hexagonal boron nitride, heterostructure, interconnects

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586 Vibration Frequencies Analysis of Nanoporous Graphene Membrane

Authors: Haw-Long Lee, Win-Jin Chang, Yu-Ching Yang

Abstract:

In this study, we use the atomic-scale finite element method to investigate the vibrational behavior of the armchair- and zigzag-structured nanoporous graphene layers with different size under the SFSF and CFFF boundary conditions. The fundamental frequencies computed for the graphene layers without pore are compared with the results of previous studies. We observe very good correspondence of our results with that of the other studies in all the considered cases. For the armchair- and zigzag-structured nanoporous graphene layers under the SFSF and CFFF boundary conditions, the frequencies decrease as the size of the nanopore increase. When the positions of the pore are symmetric with respect to the center of the graphene, the frequency of the zigzag pore graphene is higher than that of the armchair one.

Keywords: atomic-scale finite element method, graphene, nanoporous, natural frequency

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585 Theoretical and Experimental Investigation of Fe and Ni-TCNQ on Graphene

Authors: A. Shahsavar, Z. Jakub

Abstract:

Due to the outstanding properties of the 2D metal-organic frameworks (MOF), intensive computational and experimental studies have been done. However, the lack of fundamental studies of MOFs on the graphene backbone is observed. This work studies Fe and Ni as metal and tetracyanoquinodimethane (TCNQ) with a high electron affinity as an organic linker functionalized on graphene. Here we present DFT calculations results to unveil the electronic and magnetic properties of iron and nickel-TCNQ physisorbed on graphene. Adsorption and Fermi energies, structural, and magnetic properties will be reported. Our experimental observations prove Fe- and NiTCNQ@Gr/Ir(111) are thermally highly stable up to 500 and 250°C, respectively, making them promising materials for single-atom catalysts or high-density storage media.

Keywords: DFT, graphene, MTCNQ, self-assembly

Procedia PDF Downloads 132
584 Molecular Dynamics Analysis onI mpact Behaviour of Carbon Nanotubes and Graphene Sheets

Authors: Sajjad Seifoori

Abstract:

Impact behavior of striker on graphene sheet and carbon nanotube is investigated based on molecular dynamics (MD) simulations. A MD simulation is conducted to obtain the maximum dynamic deflections of a square and rectangular single-layered graphene sheets (SLGSs) with various values of side-length and striker parameter. Effect of (i) chirality, (ii) graphene side-length and nanotube length, (iii) striker mass on the maximum dynamic deflections of graphene and nanotube are investigated. The effect of different types of boundary condition on the maximum dynamic deflections is studied for zigzag and armchair SWCNTs with various aspect ratios (Length/Diameter).

Keywords: impact, molecular dynamic, graphene, spring mass

Procedia PDF Downloads 329
583 Wet Spun Graphene Fibers With Silver Nanoparticles For Flexible Electronic Applications

Authors: Syed W. Hasan, Zhiqun Tian

Abstract:

Wet spinning provides a facile and economic route to fabricate graphene nanofibers (GFs) on mass scale. Nevertheless, the pristine GFs exhibit significantly low electrical and mechanical properties owing to stacked graphene sheets and weak inter-atomic bonding. In this report, we present highly conductive Ag-decorated-GFs (Ag/GFs). The SEM micrographs show Ag nanoparticles (NPs) (dia ~10 nm) are homogeneously distributed throughout the cross-section of the fiber. The Ag NPs provide a conductive network for the electrons flow raising the conductivity to 1.8(10^4) S/m which is 4 times higher than the pristine GFs. Our results surpass the conductivities of graphene fibers doped with CNTs, Nanocarbon, fullerene, and Cu. The chemical and structural attributes of Ag/GFs are further elucidated through XPS, AFM and Raman spectroscopy.

Keywords: Ag nanoparticles, Conductive fibers, Graphene, Wet spinning

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582 Effects of Position and Shape of Atomic Defects on the Band Gap of Graphene Nano-Ribbon Superlattices

Authors: Zeinab Jokar, Mohammad Reza Moslemi

Abstract:

In this work, we study the behavior of introducing atomic size vacancy in a graphene nanoribbon superlattice. Our investigations are based on the density functional theory (DFT) with the Local Density Approximation in Atomistix Toolkit (ATK). We show that, in addition to its shape, the position of vacancy has a major impact on the electrical properties of a graphene nanoribbon superlattice. We show that the band gap of an armchair graphene nanoribbon may be tuned by introducing an appropriate periodic pattern of vacancies. The band gap changes in a zig-zag manner similar to the variation of the band gap of a graphene nanoribbon by changing its width.

Keywords: AGNR, antidot, atomistic toolKit, vacancy

Procedia PDF Downloads 1006
581 Influence of Nanomaterials on the Properties of Shape Memory Polymeric Materials

Authors: Katielly Vianna Polkowski, Rodrigo Denizarte de Oliveira Polkowski, Cristiano Grings Herbert

Abstract:

The use of nanomaterials in the formulation of polymeric materials modifies their molecular structure, offering an infinite range of possibilities for the development of smart products, being of great importance for science and contemporary industry. Shape memory polymers are generally lightweight, have high shape recovery capabilities, they are easy to process and have properties that can be adapted for a variety of applications. Shape memory materials are active materials that have attracted attention due to their superior damping properties when compared to conventional structural materials. The development of methodologies capable of preparing new materials, which use graphene in their structure, represents technological innovation that transforms low-cost products into advanced materials with high added value. To obtain an improvement in the shape memory effect (SME) of polymeric materials, it is possible to use graphene in its composition containing low concentration by mass of graphene nanoplatelets (GNP), graphene oxide (GO) or other functionalized graphene, via different mixture process. As a result, there was an improvement in the SME, regarding the increase in the values of maximum strain. In addition, the use of graphene contributes to obtaining nanocomposites with superior electrical properties, greater crystallinity, as well as resistance to material degradation. The methodology used in the research is Systematic Review, scientific investigation, gathering relevant studies on influence of nanomaterials on the properties of shape memory polymeric, using the literature database as a source and study methods. In the present study, a systematic reviewwas performed of all papers published from 2014 to 2022 regarding graphene and shape memory polymeric througha search of three databases. This study allows for easy identification of themost relevant fields of study with respect to graphene and shape memory polymeric, as well as the main gaps to beexplored in the literature. The addition of graphene showed improvements in obtaining higher values of maximum deformation of the material, attributed to a possible slip between stacked or agglomerated nanostructures, as well as an increase in stiffness due to the increase in the degree of phase separation that results in a greater amount physical cross-links, referring to the formation of shortrange rigid domains.

Keywords: graphene, shape memory, smart materials, polymers, nanomaterials

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580 Highly Efficient Iron Oxide-Sulfonated Graphene Oxide Catalyst for Esterification and Trans-Esterification Reactions

Authors: Reena D. Souza, Tripti Vats, Prem F. Siril

Abstract:

Esterification of free fatty acid (oleic acid) and transesterification of waste cooking oil (WCO) with ethanol over graphene oxide (GO), GO-Fe2O3, sulfonated GO (GO-SO3H), and Fe2O3/GO-SO3H catalysts were examined in the present study. Iron oxide supported graphene-based acid catalyst (Fe2O3/GO-SO3H) exhibited highest catalytic activity. GO was prepared by modified Hummer’s process. The GO-Fe2O3 nanocomposites were prepared by the addition of NaOH to a solution containing GO and FeCl3. Sulfonation was done using concentrated sulfuric acid. Transmissionelectron microscopy (TEM) and atomic force microscopy (AFM) imaging revealed the presence of Fe2O3 particles having size in the range of 50-200 nm. Crystal structure was analyzed by XRD and defect states of graphene were characterized using Raman spectroscopy. The effects of the reaction variables such as catalyst loading, ethanol to acid ratio, reaction time and temperature on the conversion of fatty acids were studied. The optimum conditions for the esterification process were molar ratio of alcohol to oleic acid at 12:1 with 5 wt% of Fe2O3/GO-SO3H at 1000C with a reaction time of 4h yielding 99% of ethyl oleate. This is because metal oxide supported solid acid catalysts have advantages of having both strong Brønsted as well as Lewis acid properties. The biodiesel obtained by transesterification of WCO was characterized by 1H NMR and Gas Chromatography techniques. XRD patterns of the recycled catalyst evidenced that the catalyst structure was unchanged up to the 5th cycle, which indicated the long life of the catalyst.

Keywords: Fe₂O₃/GO-SO₃H, Graphene Oxide, GO-Fe₂O₃, GO-SO₃H, WCO

Procedia PDF Downloads 277
579 Investigation on Properties and Applications of Graphene as Single Layer of Carbon Atoms

Authors: Ali Ashjaran

Abstract:

Graphene is undoubtedly emerging as one of the most promising materials because of its unique combination of superb properties, which opens a way for its exploitation in a wide spectrum of applications ranging from electronics to optics, sensors, and biodevices. In addition, Graphene-based nanomaterials have many promising applications in energy-related areas. Graphene a single layer of carbon atoms, combines several exceptional properties, which makes it uniquely suited as a coating material: transparency, excellent mechanical stability, low chemical reactivity, Optical, impermeability to most gases, flexibility, and very high thermal and electrical conductivity. Graphene is a material that can be utilized in numerous disciplines including, but not limited to: bioengineering, composite materials, energy technology and nanotechnology, biological engineering, optical electronics, ultrafiltration, photovoltaic cells. This review aims to provide an overiew of graphene structure, properties and some applications.

Keywords: graphene, carbon, anti corrosion, optical and electrical properties, sensors

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578 Flexible Laser Reduced Graphene Oxide/MnO2 Electrode for Supercapacitor Applications

Authors: Ingy N. Bkrey, Ahmed A. Moniem

Abstract:

We succeeded to produce a high performance and flexible graphene/Manganese dioxide (G/MnO2) electrode coated on flexible polyethylene terephthalate (PET) substrate. The graphene film is initially synthesized by drop-casting the graphene oxide (GO) solution on the PET substrate, followed by simultaneous reduction and patterning of the dried film using carbon dioxide (CO2) laser beam with power of 1.8 W. Potentiostatic Anodic Deposition method was used to deposit thin film of MnO2 with different loading mass 10 – 50 and 100 μg.cm-2 on the pre-prepared graphene film. The electrodes were fully characterized in terms of structure, morphology, and electrochemical performance. A maximum specific capacitance of 973 F.g-1 was attributed when depositing 50 μg.cm-2 MnO2 on the laser reduced graphene oxide rGO (or G/50MnO2) and over 92% of its initial capacitance was retained after 1000 cycles. The good electrochemical performance and long-term cycling stability make our proposed approach a promising candidate in the supercapacitor applications.

Keywords: electrode deposition, flexible, graphene oxide, graphene, high power CO2 Laser, MnO2

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577 The Study on Mechanical Properties of Graphene Using Molecular Mechanics

Authors: I-Ling Chang, Jer-An Chen

Abstract:

The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: energy minimization, fracture, graphene, molecular mechanics

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576 Conductive and Stretchable Graphene Nanoribbon Coated Textiles

Authors: Lu Gan, Songmin Shang, Marcus Chun Wah Yuen

Abstract:

A conductive and stretchable cotton fabric was prepared in this study through coating the graphene nanoribbon onto the cotton fabric. The mechanical and electrical properties of the prepared cotton fabric were then investigated. As shown in the results, the graphene nanoribbon coated cotton fabric had an improvement in both mechanical strength and electrical conductivity. Moreover, the resistance of the cotton fabric had a linear dependence on the strain applied to it. The prepared graphene nanoribbon coated cotton fabric has great application potentials in smart textile industry.

Keywords: conductive fabric, graphene nanoribbon, coating, enhanced properties

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575 Elastic Behaviour of Graphene Nanoplatelets Reinforced Epoxy Resin Composites

Authors: V. K. Srivastava

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Graphene has recently attracted an increasing attention in nanocomposites applications because it has 200 times greater strength than steel, making it the strongest material ever tested. Graphene, as the fundamental two-dimensional (2D) carbon structure with exceptionally high crystal and electronic quality, has emerged as a rapidly rising star in the field of material science. Graphene, as defined, as a 2D crystal, is composed of monolayers of carbon atoms arranged in a honeycombed network with six-membered rings, which is the interest of both theoretical and experimental researchers worldwide. The name comes from graphite and alkene. Graphite itself consists of many graphite-sheets stacked together by weak van der Waals forces. This is attributed to the monolayer of carbon atoms densely packed into honeycomb structure. Due to superior inherent properties of graphene nanoplatelets (GnP) over other nanofillers, GnP particles were added in epoxy resin with the variation of weight percentage. It is indicated that the DMA results of storage modulus, loss modulus and tan δ, defined as the ratio of elastic modulus and imaginary (loss) modulus versus temperature were affected with addition of GnP in the epoxy resin. In epoxy resin, damping (tan δ) is usually caused by movement of the molecular chain. The tan δ of the graphene nanoplatelets/epoxy resin composite is much lower than that of epoxy resin alone. This finding suggests that addition of graphene nanoplatelets effectively impedes movement of the molecular chain. The decrease in storage modulus can be interpreted by an increasing susceptibility to agglomeration, leading to less energy dissipation in the system under viscoelastic deformation. The results indicates the tan δ increased with the increase of temperature, which confirms that tan δ is associated with magnetic field strength. Also, the results show that the nanohardness increases with increase of elastic modulus marginally. GnP filled epoxy resin gives higher value than the epoxy resin, because GnP improves the mechanical properties of epoxy resin. Debonding of GnP is clearly observed in the micrograph having agglomeration of fillers and inhomogeneous distribution. Therefore, DMA and nanohardness studies indiacte that the elastic modulus of epoxy resin is increased with the addition of GnP fillers.

Keywords: agglomeration, elastic modulus, epoxy resin, graphene nanoplatelet, loss modulus, nanohardness, storage modulus

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574 The Role of Graphene Oxide on Titanium Dioxide Performance for Photovoltaic Applications

Authors: Abdelmajid Timoumi, Salah Alamri, Hatem Alamri

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TiO₂ Graphene Oxide (TiO₂-GO) nanocomposite was prepared using the spin coating technique of suspension of Graphene Oxide (GO) nanosheets and Titanium Tetra Isopropoxide (TIP). The prepared nanocomposites samples were characterized by X-ray diffractometer, Scanning Electron Microscope and Atomic Force Microscope to examine their structures and morphologies. UV-vis transmittance and reflectance spectroscopy was employed to estimate band gap energies. From the TiO₂-GO samples, a 0.25 μm thin layer on a piece of glass 2x2 cm was created. The X-ray diffraction analysis revealed that the as-deposited layers are amorphous in nature. The surface morphology images demonstrate that the layers grew in distributed with some spherical/rod-like and partially agglomerated TiGO on the surface of the composite. The Atomic Force Microscopy indicated that the films are smooth with slightly larger surface roughness. The analysis of optical absorption data of the layers showed that the values of band gap energy decreased from 3.46 eV to 1.40 eV, depending on the grams of GO doping. This reduction might be attributed to electron and/or hole trapping at the donor and acceptor levels in the TiO₂ band structure. Observed results have shown that the inclusion of GO in the TiO₂ matrix have exhibited significant and excellent properties, which would be promising for application in the photovoltaic application.

Keywords: titanium dioxide, graphene oxide, thin films, solar cells

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573 The Role of Halloysite’s Surface Area and Aspect Ratio on Tensile Properties of Ethylene Propylene Diene Monomer Nanocomposites

Authors: Pooria Pasbakhsh, Rangika T. De Silva, Vahdat Vahedi, Hanafi Ismail

Abstract:

The influence of three different types of halloysite nanotubes (HNTs) with different dimensions, namely as camel lake (CLA), Jarrahdale (JA) and Matauri Bay (MB), on their reinforcing ability of ethylene propylene dine monomer (EPDM) were investigated by varying the HNTs loading (from 0-15 phr). Mechanical properties of the nanocomposites improved with addition of all three HNTs, but CLA based nanocomposites exhibited a significant enhancement compared to the other HNTs. For instance, tensile properties of EPDM nanocomposites increased by 120%, 256% and 340% for MB, JA, and CLA, respectively with addition of 15 phr of HNTs. This could be due to the higher aspect ratio and higher surface area of CLA compared to others. Scanning electron microscopy (SEM) of nanocomposites at 15 phr of HNT loadings showed low amounts of pulled-out nanotubes which confirmed the presence of more embedded nanotubes inside the EPDM matrix, as well as aggregates within the fracture surface of EPDM/HNT nanocomposites.

Keywords: aspect ratio, halloysite nanotubes (HNTs), mechanical properties, rubber/clay nanocomposites

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572 Electrospun Conducting Polymer/Graphene Composite Nanofibers for Gas Sensing Applications

Authors: Aliaa M. S. Salem, Soliman I. El-Hout, Amira Gaber, Hassan Nageh

Abstract:

Nowadays, the development of poisonous gas detectors is considered to be an urgent matter to secure human health and the environment from poisonous gases, in view of the fact that even a minimal amount of poisonous gas can be fatal. Of these concerns, various inorganic or organic sensing materials have been used. Among these are conducting polymers, have been used as the active material in the gassensorsdue to their low-cost,easy-controllable molding, good electrochemical properties including facile fabrication process, inherent physical properties, biocompatibility, and optical properties. Moreover, conducting polymer-based chemical sensors have an amazing advantage compared to the conventional one as structural diversity, facile functionalization, room temperature operation, and easy fabrication. However, the low selectivity and conductivity of conducting polymers motivated the doping of it with varied materials, especially graphene, to enhance the gas-sensing performance under ambient conditions. There were a number of approaches proposed for producing polymer/ graphene nanocomposites, including template-free self-assembly, hard physical template-guided synthesis, chemical, electrochemical, and electrospinning...etc. In this work, we aim to prepare a novel gas sensordepending on Electrospun nanofibers of conducting polymer/RGO composite that is the effective and efficient expectation of poisonous gases like ammonia, in different application areas such as environmental gas analysis, chemical-,automotive- and medical industries. Moreover, our ultimate objective is to maximize the sensing performance of the prepared sensor and to check its recovery properties.

Keywords: electro spinning process, conducting polymer, polyaniline, polypyrrole, polythiophene, graphene oxide, reduced graphene oxide, functionalized reduced graphene oxide, spin coating technique, gas sensors

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571 Mechanical Properties of Nanocomposites Cobalt Matrix with Nano SiC Particles

Authors: Dhuha Albusalih, David Weston, Simon Gill

Abstract:

Nanocomposites Co-SiC with well dispersed nanoparticles and Co nano grain size has produced using Pulse Reverse Plating (PRP) and using anionic surfactant. Different particle contents of nanocomposites were produced by altering the plating parameters. The method allows great control over the level of nanoparticles in the coating, without changing bath chemistry. Examination by Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDX), TEM and X-Ray Diffraction (XRD) analysis was performed to characterize and study the strengthening mechanisms of these nanocomposites. The primary strengthening mechanisms were shown to be grain refinement and dispersion strengthening. Tribological performances of the produced electroplated nanocomposite Co-SiC coatings were examined. Results showed that the coating with the higher volume fraction (vol. %) of SiC and the smallest grain size has the higher hardness and low wear rate.

Keywords: nanocomposites, pulse reverse plating, tribological performance of cobalt nanocomposites

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570 A Density Functional Theory Study of Metal-Porphyrin Graphene for CO2 Hydration

Authors: Manju Verma, Parag A. Deshpande

Abstract:

Electronic structure calculations of hydrogen terminated metal-porphyrin graphene were carried out to explore the catalytic activity for CO2 hydration reaction. A ruthenium atom was substituted in place of carbon atom of graphene and ruthenium chelated carbon atoms were replaced by four nitrogen atoms in metal-porphyrin graphene system. Ruthenium atom created the active site for CO2 hydration reaction. Ruthenium-porphyrin graphene followed the mechanism of carbonic anhydrase enzyme for CO2 conversion to HCO3- ion. CO2 hydration reaction over ruthenium-porphyrin graphene proceeded via the elementary steps: OH- formation from H2O dissociation, CO2 bending in presence of nucleophilic attack of OH- ion, HCO3- ion formation from proton migration, HCO3- ion desorption by H2O addition. Proton transfer to yield HCO3- ion was observed as a rate limiting step from free energy landscape.

Keywords: ruthenium-porphyrin graphene, CO2 hydration, carbonic anhydrase, heterogeneous catalyst, density functional theory

Procedia PDF Downloads 259
569 Implication of Multi-Walled Carbon Nanotubes on Polymer/MXene Nanocomposites

Authors: Mathias Aakyiir, Qunhui Zheng, Sherif Araby, Jun Ma

Abstract:

MXene nanosheets stack in polymer matrices, while multi-walled carbon nanotubes (MWCNTs) entangle themselves when used to form composites. These challenges are addressed in this work by forming MXene/MWCNT hybrid nanofillers by electrostatic self-assembly and developing elastomer/MXene/MWCNTs nanocomposites using a latex compounding method. In a 3-phase nanocomposite, MWCNTs serve as bridges between MXene nanosheets, leading to nanocomposites with well-dispersed nanofillers. The high aspect ratio of MWCNTs and the interconnection role of MXene serve as a basis for forming nanocomposites of lower percolation threshold of electrical conductivity from the hybrid fillers compared with the 2-phase composites containing either MXene or MWCNTs only. This study focuses on discussing into detail the interfacial interaction of nanofillers and the elastomer matrix and the outstanding mechanical and functional properties of the resulting nanocomposites. The developed nanocomposites have potential applications in the automotive and aerospace industries.

Keywords: elastomers, multi-walled carbon nanotubes, MXenes, nanocomposites

Procedia PDF Downloads 162
568 Graphene-Based Nanobiosensors and Lab on Chip for Sensitive Pesticide Detection

Authors: Martin Pumera

Abstract:

Graphene materials are being widely used in electrochemistry due to their versatility and excellent properties as platforms for biosensing. Here we present current trends in the electrochemical biosensing of pesticides and other toxic compounds. We explore two fundamentally different designs, (i) using graphene and other 2-D nanomaterials as an electrochemical platform and (ii) using these nanomaterials in the laboratory on chip design, together with paramagnetic beads. More specifically: (i) We explore graphene as transducer platform with very good conductivity, large surface area, and fast heterogeneous electron transfer for the biosensing. We will present the comparison of these materials and of the immobilization techniques. (ii) We present use of the graphene in the laboratory on chip systems. Laboratory on the chip had a huge advantage due to small footprint, fast analysis times and sample handling. We will show the application of these systems for pesticide detection and detection of other toxic compounds.

Keywords: graphene, 2D nanomaterials, biosensing, chip design

Procedia PDF Downloads 550