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Journal articles on the topic 'Graphene-Solvent Interactions'

Author: Grafiati

Published: 6 September 2023

Last updated: 31 July 2025

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1

Abahussain, Abdulaziz A. M., S. Z. J. Zaidi, M. H. Nazir, M. Raza, M. H. Nazir, and S. Hassan. "A DFT Study of Graphene as a Drug Carrier for Gemcitabine Anticancer Drug." Journal of New Materials for Electrochemical Systems 25, no. 4 (2022): 234–39. http://dx.doi.org/10.14447/jnmes.v25i4.a02.

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Research is being carried out worldwide for possible treatment of cancer. Graphene has been studied as a drug carrier for various cancer-related drugs [1-2]. In the present work, we apply theoretical models to study the electrons interactions, thermodynamic properties, and solvent interaction of the drug-carrier configuration. The stability of graphene means that it can be a nanocarrier in the biological system. The simulations result shows that graphene provides a stable base, where gemcitabine is a highly dissolvable and reactive drug. The adsorption of gemcitabine on the graphene was physic

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Graziano, Antimo, Shaffiq Jaffer, and Mohini Sain. "Graphene oxide modification for enhancing high-density polyethylene properties: a comparison between solvent reaction and melt mixing." Journal of Polymer Engineering 39, no. 1 (2018): 85–93. http://dx.doi.org/10.1515/polyeng-2018-0106.

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Abstract Graphene oxide (GO) was chemically modified in xylene with dodecyl amine and hydrazine monohydrate to obtain reduced functionalized graphene oxide (RFGO). Composites of high-density polyethylene (HDPE) and GO were made via solvent reaction, whereas both melt mixing and solvent reaction were used for HDPE-RFGO composites for comparison purposes. Elemental and thermal analysis showed the success of GO modification in grafting amine functionalities onto its structure and restoring most of the original graphene C=C bonds. A significant increase in mechanical properties, thermal stability,

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Bake, Ieva, Liga Rampane, Ilze Balgale, Silvija Kukle, and Imants Adijans. "EVALUATION OF THE GRAPHENE DISPERSIONS FOR KEVLAR FABRICS FUNCTIONALIZATION OBTAINED BY THE LIQUID-EXFOLIATION OF GRAPHITE." ENVIRONMENT. TECHNOLOGIES. RESOURCES. Proceedings of the International Scientific and Practical Conference 1 (June 22, 2024): 70–77. http://dx.doi.org/10.17770/etr2024vol1.7985.

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The process where pristine graphite is subjected to a solvent treatment seems simple and scalable and has attracted the attention of researchers over many years. However, for successful exfoliation, overcoming the van der Waals attractions between the adjacent layers of graphite is necessary. Over time, several methods have been created to overcome the attraction between layers. Graphene’s liquid phase exfoliation (LPE) occurs due to the strong interactions between the solvent molecules and the basal planes of graphite, overcoming the energetic resistance to exfoliation and subsequent dispersi

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Liang, Yanyu, Dongqing Wu, Xinliang Feng, and Klaus Müllen. "Dispersion of Graphene Sheets in Organic Solvent Supported by Ionic Interactions." Advanced Materials 21, no. 17 (2009): 1679–83. http://dx.doi.org/10.1002/adma.200803160.

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Berisha, Avni. "Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study." Journal of Chemistry 2019 (February 26, 2019): 1–5. http://dx.doi.org/10.1155/2019/5126071.

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Understanding the grafting behavior of the aryldiazonium cations is of fundamental and also of practical importance for the vast number of applications that involve the use of modified graphene oxide (from simple adsorption process to electronic and photovoltaic applications). In this work, the mechanism of the adsorption and grafting of diazonium cations on the graphene oxide surface was investigated by the use of density functional theory. Two types of aryldiazonium cations, one bearing only phenyl ring and the other nitrophenyl, were selected as adsorbates/grafted moiety. By evaluating the

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Ismagambetov, Olzhas, Nakhypbek Aldiyarov, Nurlan Almas, et al. "Atomistic Modeling of Natural Gas Desulfurization Process Using Task-Specific Deep Eutectic Solvents Supported by Graphene Oxide." Molecules 29, no. 22 (2024): 5282. http://dx.doi.org/10.3390/molecules29225282.

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This study employs Density Functional Theory (DFT) calculations and traditional all-atom Molecular Dynamics (MD) simulations to reveal atomistic insights into a task-specific Deep Eutectic Solvent (DES) supported by graphene oxide with the aim of mimicking its application in the natural gas desulfurization process. The DES, composed of N,N,N′,N′-tetramthyl-1,6-hexane diamine acetate (TMHDAAc) and methyldiethanolamine (MDEA) supported by graphene oxide, demonstrates improved efficiency in removing hydrogen sulfide from methane. Optimized structure and HOMO-LUMO orbital analyses reveal the disti

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Czajka, Michael, Robert A. Shanks, and Ing Kong. "Preparation of graphene and inclusion in composites with poly(styrene-b-butadiene-b-styrene)." Science and Engineering of Composite Materials 22, no. 1 (2015): 7–16. http://dx.doi.org/10.1515/secm-2013-0119.

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AbstractThe aim of this work was to prepare and characterize nanocomposites containing graphene from intercalated graphite. The graphene was produced by rapid thermal expansion using expandable graphite oxide or obtained commercially. The polymer used was poly(styrene-b-butadiene-b-styrene) (SBS). The SBS was dissolved in p-xylene and the graphene was ultrasonically suspended in the xylene solution. The morphology, dynamic mechanical, electrical, and thermal properties of composites were characterized. Graphene at 1% (w/w) (hydrogen atmosphere) was found to increase the storage modulus (68%) a

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8

Arunachalam, Vaishali, and Sukumaran Vasudevan. "Graphene–Solvent Interactions in Nonaqueous Dispersions: 2D ROESY NMR Measurements and Molecular Dynamics Simulations." Journal of Physical Chemistry C 122, no. 3 (2018): 1881–88. http://dx.doi.org/10.1021/acs.jpcc.7b11138.

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9

Moni, Grace, Jiji Abraham, Chinchu Kurian, Ayarin Joseph, and Soney C. George. "Effect of reduced graphene oxide on the solvent transport characteristics and sorption kinetics of fluoroelastomer nanocomposites." Physical Chemistry Chemical Physics 20, no. 26 (2018): 17909–17. http://dx.doi.org/10.1039/c8cp02411a.

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Molecular transport characteristics of fluoroelastomer nanocomposites in aromatic hydrocarbons exhibited improved chemical resistivity by the incorporation of reduced graphene oxide, due to its better reinforcing efficiency and improved polymer-filler interactions.

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10

Son, Chang Yun, and Zhen-Gang Wang. "Image-charge effects on ion adsorption near aqueous interfaces." Proceedings of the National Academy of Sciences 118, no. 19 (2021): e2020615118. http://dx.doi.org/10.1073/pnas.2020615118.

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Electrostatic interactions near surfaces and interfaces are ubiquitous in many fields of science. Continuum electrostatics predicts that ions will be attracted to conducting electrodes but repelled by surfaces with lower dielectric constant than the solvent. However, several recent studies found that certain “chaotropic” ions have similar adsorption behavior at air/water and graphene/water interfaces. Here we systematically study the effect of polarization of the surface, the solvent, and solutes on the adsorption of ions onto the electrode surfaces using molecular dynamics simulation. An effi

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LU, Yuxuan, Fang-Min Lin, Wei-Yu Long, and Chih-Ting Lin. "Impact of Water-Water Correlation at Suspended Graphene/Water Interface Under Different Electro-Modulated." ECS Meeting Abstracts MA2024-01, no. 33 (2024): 1630. http://dx.doi.org/10.1149/ma2024-01331630mtgabs.

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Graphene-based devices have extensive applications in aqueous environments. The molecular interactions across the graphene sheet significantly impact various devices, although few researches focused on elucidating the interface effects. In this study, we utilize trench structure to make graphene unilaterally and bilaterally suspended in water. The conduction status of both lateral and longitudinal currents (Id, Is, Ig) of graphene was monitored under two suspension scenarios to investigate the changes in interface evolution with the introduction of solvent-solvent interactions. For unilaterall

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Ramezani, Ghazaleh, Theo G. M. van de Ven, and Ion Stiharu. "Novel In-Situ Synthesis Techniques for Cellulose-Graphene Hybrids: Enhancing Electrical Conductivity for Energy Storage Applications." Recent Progress in Materials 07, no. 01 (2025): 1–50. https://doi.org/10.21926/rpm.2501004.

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This study investigates the hypothesis that diverse synthesis techniques can yield cellulose-graphene hybrids with tailored properties for specific applications, enabling advancements in flexible electronics, energy storage, environmental remediation, and biomedical devices. We examined and compared multiple synthesis methods, including chemical reduction, in-situ synthesis, green synthesis using natural reducing agents, solvent-assisted approaches, hydrothermal and solvothermal techniques, mechanical and chemical treatments, and electrochemical exfoliation. Each method was assessed for its im

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Borzehandani, Mostafa Yousefzadeh, Emilia Abdulmalek, Mohd Basyaruddin Abdul Rahman, and Muhammad Alif Mohammad Latif. "Elucidating the Aromatic Properties of Covalent Organic Frameworks Surface for Enhanced Polar Solvent Adsorption." Polymers 13, no. 11 (2021): 1861. http://dx.doi.org/10.3390/polym13111861.

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Covalent organic frameworks (COFs) have a distinguished surface as they are mostly made by boron, carbon, nitrogen and oxygen. Many applications of COFs rely on polarity, size, charge, stability and hydrophobicity/hydrophilicity of their surface. In this study, two frequently used COFs sheets, COF-1 and covalent triazine-based frameworks (CTF-1), are studied. In addition, a theoretical porous graphene (TPG) was included for comparison purposes. The three solid sheets were investigated for aromaticity and stability using quantum mechanics calculations and their ability for water and ethanol ads

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González, Munduate Kizkitza, Arocena Izaskun Larraza, Alberdi Loli Martin, Arantxa Eceiza, and Nagore Gabilondo. "Effective reinforcement of plasticized starch by the incorporation of graphene, graphene oxide and reduced graphene oxide." International Journal of Biological Macromolecules 249 (August 3, 2023): 126130. https://doi.org/10.1016/j.ijbiomac.2023.126130.

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Plasticized starch (PLS) nanocomposite films using glycerol and reinforced with graphene (G) and graphene oxide (GO) were prepared by solvent casting procedure. On one hand, the influence of adding different G contents into the PLS matrix was analyzed. In order to improve the stability of G nanoflakes in water, Salvia extracts were added as surfactants. The resulting nanocomposites presented improved mechanical properties. A maximum increase of 287 % in Young's modulus and 57 % in tensile strength was achieved for nanocomposites with 5 wt% of G. However, it seemed that Salvia acted as co-plast

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Araya-Hermosilla, Esteban, Matteo Minichino, Virgilio Mattoli, and Andrea Pucci. "Chemical and Temperature Sensors Based on Functionalized Reduced Graphene Oxide." Chemosensors 8, no. 2 (2020): 43. http://dx.doi.org/10.3390/chemosensors8020043.

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In this work, we investigated the functionalization of reduced graphene oxide (rGO) with 2-(dodecen-1-yl) succinic anhydride (TPSA) to increase the rGO effective interactions with organic solvents both in liquid and vapor phases. Thermogravimetric analysis, STEM, XPS, FTIR-ATR, and Raman spectroscopy confirmed the effective functionalization of rGO with about the 30 wt% of grafted TPSA without affecting the structural characteristics of graphene but successfully enhancing its dispersibility in the selected solvent except for the apolar hexane. Solid TPSA-rGO dispersions displayed a reproducibl

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16

Mohammadsalih, Zaid G., Beverley J. Inkson, and Biqiong Chen. "Structure and Properties of Polystyrene-Co-Acrylonitrile/Graphene Oxide Nanocomposites." Journal of Composites Science 7, no. 6 (2023): 225. http://dx.doi.org/10.3390/jcs7060225.

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Polymer/graphene nanocomposites have attracted significant attention from the research community over the past two decades. In this work, nanocomposites of polystyrene-co-acrylonitrile (SAN) and graphene oxide (GO) were prepared using a solution blending method with tetrahydrofuran as the solvent. The GO loadings used were 0.1, 0.25, 0.5, and 1.0 wt.%. Fourier transform infrared spectroscopy, X-ray diffraction, and scanning electron microscopy were employed to characterize the structure and morphology of SAN/GO nanocomposites. Thermal analysis showed increases in the glass transition (Tg) and

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17

Zhu, Jing, Binglin Lu, Shanshan Liu, et al. "Magnetic Graphene Dispersive Solid-Phase Extraction for the Determination of Phthalic Acid Esters in Flavoring Essences by Gas Chromatography Tandem Mass Spectrometry." Journal of Chromatographic Science 58, no. 8 (2020): 770–78. http://dx.doi.org/10.1093/chromsci/bmaa032.

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Abstract In the present study, a sensitive, efficient and repeatable method for the simultaneous extraction and determination of 13 types of phthalic acid esters (PAEs) in flavoring essence samples using magnetic graphene solid-phase extraction coupled with gas chromatography tandem mass spectrometry was developed. Due to the unique structure of magnetic graphene, it has several advantages, such as large surface area and fast separation ability. This unique structure not only provided strong magnetic responsiveness for the separation but also prevented the self-aggregation of graphene. The lar

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Yu, Li, Fei Ma, Liangxiao Zhang, and Peiwu Li. "Determination of Aflatoxin B1 and B2 in Vegetable Oils Using Fe3O4/rGO Magnetic Solid Phase Extraction Coupled with High-Performance Liquid Chromatography Fluorescence with Post-Column Photochemical Derivatization." Toxins 11, no. 11 (2019): 621. http://dx.doi.org/10.3390/toxins11110621.

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In this study, magnetic graphene nanocomposite Fe3O4/rGO was synthesized by facile one-pot solvothermal method. The nanocomposite was successfully used as magnetic solid phase extraction (MSPE) adsorbents for the determination of aflatoxins in edible vegetable oils through the π–π stacking interactions. MSPE parameters including the amount of adsorbents, extraction and desorption time, washing conditions, and the type and volume of desorption solvent were optimized. Under optimal conditions, good linear relationships were achieved. Limits of detection of this method were as low as 0.02 µg/kg a

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19

Sohail, Uroosa, Faizan Ullah, Nur Hazimah Binti Zainal Arfan, et al. "Transition Metal Sensing with Nitrogenated Holey Graphene: A First-Principles Investigation." Molecules 28, no. 10 (2023): 4060. http://dx.doi.org/10.3390/molecules28104060.

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The toxicity of transition metals, including copper(II), manganese(II), iron(II), zinc(II), hexavalent chromium, and cobalt(II), at elevated concentrations presents a significant threat to living organisms. Thus, the development of efficient sensors capable of detecting these metals is of utmost importance. This study explores the utilization of two-dimensional nitrogenated holey graphene (C2N) nanosheet as a sensor for toxic transition metals. The C2N nanosheet’s periodic shape and standard pore size render it well suited for adsorbing transition metals. The interaction energies between trans

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Mahendran, R., D. Sridharan, K. Santhakumar, and G. Gnanasekaran. "Green Route Fabrication of Graphene Oxide Reinforced Polymer Composites with Enhanced Mechanical Properties." Journal of Nanoscience 2016 (July 13, 2016): 1–8. http://dx.doi.org/10.1155/2016/6410295.

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A facile and “Green” route has been applied to fabricate graphene oxide (GO) reinforced polymer composites utilizing “deionized water” as solvent. The GO was reinforced into water soluble poly(vinyl alcohol) (PVA) and poly-2-acrylamido-2-methyl-1-propanesulfonic acid (PAMPS) matrix by ultrasonication followed by mechanical stirring. The incorporation and dispersion of the GO in the polymer matrix were analyzed by XRD, FE-SEM, AFM, FT-IR, and TGA. Further, the FE-SEM and AFM images revealed that the surface roughness and agglomeration of the GO in the polymer matrix increased by increasing its

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Mohamad, Sharifah, Shabnam Bakhshaei, Ninie Suhana Abdul Manan, N. A. Parmin, and Siti Khalijah Mahmad Rozi. "Free Fatty Acid from Waste Palm Oil Functionalized Magnetic Nanoparticles Immobilized on Surface Graphene Oxide as a New Adsorbent for Simultaneously Detecting Hazardous Polycyclic Aromatic Hydrocarbons and Phthalate Esters in Food Extracts." Journal of Nanoscience and Nanotechnology 21, no. 11 (2021): 5522–34. http://dx.doi.org/10.1166/jnn.2021.19454.

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A newly synthesized free fatty acids from waste palm oil functionalized magnetic nanoparticles immobilized on the surface of graphene oxide (FFA@MNP-GO) was successfully synthesized and characterized in this research. The combinations of long alkyl chain of free fatty acid with graphene oxide that consists of large delocalized 77-electron systems and abundant of hydrophilic groups with hydroxyl, epoxide and carboxylic groups offer the determination of simultaneous wide range of polarities of organic pollutants in real matrices through hydrogen bonding, hydrophobic and 77-77 interactions. The f

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Li, Shuxuan, Can Li, Baowei Su, Michael Z. Hu, Xueli Gao, and Congjie Gao. "Amino-functionalized graphene quantum dots (aGQDs)-embedded thin film nanocomposites for solvent resistant nanofiltration (SRNF) membranes based on covalence interactions." Journal of Membrane Science 588 (October 2019): 117212. http://dx.doi.org/10.1016/j.memsci.2019.117212.

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Shaik, Mohammed, Manawwer Alam, Syed Adil, et al. "Solvothermal Preparation and Electrochemical Characterization of Cubic ZrO2 Nanoparticles/Highly Reduced Graphene (HRG) based Nanocomposites." Materials 12, no. 5 (2019): 711. http://dx.doi.org/10.3390/ma12050711.

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A single-step solvothermal approach to prepare stabilized cubic zirconia (ZrO2) nanoparticles (NPs) and highly reduced graphene oxide (HRG) and ZrO2 nanocomposite (HRG@ZrO2) using benzyl alcohol as a solvent and stabilizing ligand is presented. The as-prepared ZrO2 NPs and the HRG@ZrO2 nanocomposite were characterized using transmission electron microscopy (TEM) and X-ray diffraction (XRD), which confirmed the formation of ultra-small, cubic phase ZrO2 NPs with particle sizes of ~2 nm in both reactions. Slight variation of reaction conditions, including temperature and amount of benzyl alcohol

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Ferguson, Andrew J., and Jeff Blackburn. "(Invited) The Role of Counterion Chemistry on the Nature of Charge Carriers in Redox-Doped Nanocarbons." ECS Meeting Abstracts MA2024-02, no. 11 (2024): 1458. https://doi.org/10.1149/ma2024-02111458mtgabs.

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The performance of many emerging electronic and optoelectronic devices based on organic and nanoscale carbon semiconductors can be fine-tuned by control of the charge carrier density injected by redox dopants. We have recently demonstrated that the chemical structure (size, shape, and redox properties) of the dopant counterion has a significant influence on the electrostatic interactions with the charge carrier, which affects charge (de)localization and transport. We have exploited this to enhance the thermoelectric properties of thin film networks of single-walled carbon nanotubes (SWCNTs) an

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Díez-Pascual, Ana M. "Effect of Graphene Oxide on the Properties of Poly(3-Hydroxybutyrate-co-3-Hydroxyhexanoate)." Polymers 13, no. 14 (2021): 2233. http://dx.doi.org/10.3390/polym13142233.

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The main shortcomings of polyhydroxybutyrate (PHB), which is a biodegradable and biocompatible polymer used for biomedical and food packaging applications, are its low thermal stability, poor impact resistance and lack of antibacterial activity. This issue can be improved by blending with other biodegradable polymers such as polyhydroxyhexanoate to form poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) (PHBHHx), which is a copolymer with better impact strength and lower melting point. However, PHBHHx shows reduced stiffness than PHB and poorer barrier properties against moisture and gases, which i

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Asha, Aysha Siddika, Benjoe Rey B. Visayas, Maricris L. Mayes, and Caiwei Shen. "Understanding the Effect of Trace Solvent Content on Properties of Polymer Electrolytes through Molecular Dynamics Simulations." ECS Meeting Abstracts MA2023-01, no. 4 (2023): 862. http://dx.doi.org/10.1149/ma2023-014862mtgabs.

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The rapid growth of mobile, portable, wearable and flexible electronics leads to the increasing demand for energy storage devices using solid-state polymer electrolytes (PEs), which outperform liquid electrolytes in terms of safety, mechanical properties, and simplicity of device fabrication and packaging. However, processing PEs will always introduce solvent molecules that greatly affect the ionic conductivity and mechanical properties. For example, PEs prepared through solution-casting methods always have solvent residues. A trace amount of water molecules absorbed from the air is also inevi

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Mersal, Gaber A. M., I. S. Yahia та Hamdy S. El-Sheshtawy. "Lone pair Halogen (X2)…π Interactions Stabilizes Molecular Halogens (X2=I2, Br2, Cl2, and F2) on Reduced Graphene Oxide surface: Structural, Solvent Effect and optical properties". Journal of Molecular Structure 1244 (листопад 2021): 130963. http://dx.doi.org/10.1016/j.molstruc.2021.130963.

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Kiseleva, Svetlana G., Galina N. Bondarenko, Andrey V. Orlov, et al. "Hybrid Nanocomposites Based on Poly(3,6-dianiline-2,5-dichloro-1,4-benzoquinone): Synthesis, Structure and Properties." Polymers 16, no. 13 (2024): 1832. http://dx.doi.org/10.3390/polym16131832.

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Hybrid nanocomposites based on poly(3,6-dianiline-2,5-dichloro-1,4-benzoquinone) (PDACB) in salt form and graphene oxide (GO) have been obtained for the first time, and the significant influence of the preparation method on the composition and structure of nanocomposites and their functional properties has been demonstrated. Nanocomposites were prepared in three ways: via ultrasonic mixing of PDACB and GO; via in situ oxidative polymerization of 3,6-dianiline-2,5-dichloro-1,4-benzoquinone (DACB) in the presence of GO; and by heating a suspension of previously prepared PDACB and GO in DMF with

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Tsai, Hsin-Yen, Munusamy Sathish Kumar, Balaraman Vedhanarayanan, Hsin-Hui Shen, and Tsung-Wu Lin. "Urea-Based Deep Eutectic Solvent with Magnesium/Lithium Dual Ions as an Aqueous Electrolyte for High-Performance Battery-Supercapacitor Hybrid Devices." Batteries 9, no. 2 (2023): 69. http://dx.doi.org/10.3390/batteries9020069.

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A new deep eutectic solvent (DES) made from urea, magnesium chloride, lithium perchlorate and water has been developed as the electrolyte for battery-supercapacitor hybrid devices. The physicochemical characteristics of DES electrolytes and potential interactions between electrolyte components are well analyzed through electrochemical and spectroscopic techniques. It has been discovered that the properties of DES electrolytes are highly dependent on the component ratio, which allows us to engineer the electrolyte to meet the requirement of the battery application. Perylene tetracarboxylic di-i

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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

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Fernández-García, Jesús Manuel, and Nazario Martín. "(Invited) Corannulene-Based Molecular Nanographenes: Synthesis, Reduction, Supramolecular Complexation and Photophysical Properties." ECS Meeting Abstracts MA2023-01, no. 12 (2023): 1272. http://dx.doi.org/10.1149/ma2023-01121272mtgabs.

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The outstanding electronic properties of graphene-based materials make them one of the most promising assets for application in the electronics industry of the XXI century. Encouraged by these properties, a great number of materials scientists are currently engaged in the development of the emergent field of 2D materials. In the last decade, the reduction of the dimensionality to 1D (nanoribbons) and 0D (nanographenes NGs, or graphene quantum dots, GQDs) have become an important research topic by their singular properties. In this regard, the quantum confinement of the electrons and the edge e

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Kim, Ho Shin, Sabrina M. Huang, and Yaroslava G. Yingling. "Sequence dependent interaction of single stranded DNA with graphitic flakes: atomistic molecular dynamics simulations." MRS Advances 1, no. 25 (2016): 1883–89. http://dx.doi.org/10.1557/adv.2016.91.

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ABSTRACTIn an attempt to understand the structure and dynamics of ssDNA on graphene based surfaces, we performed all-atom implicit solvent molecular dynamics simulations of ssDNA on graphene and graphene oxide (GO) surfaces. Simulations indicate that adsorption of poly(A), poly(T) and poly (AT) have similar mechanisms of adsorption to free standing graphitic flakes, which are governed by a surface oxygen content. Specifically, higher oxygen content of a surface leads to decrease in persistence length of ssDNA. However, the role of DNA sequence on the physisorption mechanism is minimal.

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de Oliveira, Matheus Mendes, Sven Forsberg, Linnéa Selegård, and Danilo Justino Carastan. "The Influence of Sonication Processing Conditions on Electrical and Mechanical Properties of Single and Hybrid Epoxy Nanocomposites Filled with Carbon Nanoparticles." Polymers 13, no. 23 (2021): 4128. http://dx.doi.org/10.3390/polym13234128.

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Graphene nanoplatelets (GNP) and carbon nanotubes (CNT) are used to enhance electrical and mechanical properties of epoxy-based nanocomposites. Despite the evidence of synergetic effects in the hybrid GNP-CNT-epoxy system, there is still a lack of studies that focus on the influence of different dispersion methods on the final properties of these ternary systems. In the present work, direct and indirect ultrasonication methods were used to prepare single- and hybrid-filled GNP-CNT-epoxy nanocomposites, varying the amplitude and time of sonication in order to investigate their effect on electri

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Oh, Yuna, Hoi Kil Choi, Hana Jung, et al. "Analysis of the effect of organic solvent–sheet interfacial interaction on the exfoliation of sulfur-doped reduced graphene oxide sheets in a solvent system using molecular dynamics simulations." Physical Chemistry Chemical Physics 22, no. 36 (2020): 20665–72. http://dx.doi.org/10.1039/d0cp03498c.

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In this study, the effect of interfacial interaction between solvent and sheets on the exfoliation of sulfur-doped reduced graphene oxide (SrGO) sheets was studied, using molecular dynamics simulations.

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Kadhim, Ishraq Abd Ulrazzaq. "Biocompatibility of Alginate -Graphene Oxide Film for Tissue Engineering Applications." Key Engineering Materials 900 (September 20, 2021): 26–33. http://dx.doi.org/10.4028/www.scientific.net/kem.900.26.

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The present paper indicates promising potential of Sodium Alginate) Alg)/Graphene oxide (Go) films in fields bone tissue engineering (TE). The Sodium Alginate (Alg)/Graphene oxide (Go) films, were fabricated via (solvent casting method). The interaction of Sodium Alginate (Alg) with Graphene oxide (Go) via hydrogen bonding was confirmed by FTIR analysis. The swelling degree of Sodium Alginate (Alg)/Graphene oxid (Go) films was also studied. Furthermore, the biocompatibility of Sodium Alginate (Alg)/Graphene oxide (Go) films disclosed its non-cytotoxic effect on the cell lines (MG-63) in-vitro

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Neklyudov, Vadim V., Nail R. Khafizov, Igor A. Sedov, and Ayrat M. Dimiev. "New insights into the solubility of graphene oxide in water and alcohols." Physical Chemistry Chemical Physics 19, no. 26 (2017): 17000–17008. http://dx.doi.org/10.1039/c7cp02303k.

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Here we demonstrate that the solubility of GO, and the stability of as-formed solutions depend not just on the solute and solvent cohesion parameters, as commonly believed, but mostly on the chemical interactions at the GO/solvent interface.

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Sahu, Sumit Ranjan, Mayanglambam Manolata Devi, Puspal Mukherjee, Pratik Sen, and Krishanu Biswas. "Optical Property Characterization of Novel Graphene-X (X=Ag, Au and Cu) Nanoparticle Hybrids." Journal of Nanomaterials 2013 (2013): 1–9. http://dx.doi.org/10.1155/2013/232409.

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The present investigation reports new results on optical properties of graphene-metal nanocomposites. These composites were prepared by a solution-based chemical approach. Graphene has been prepared by thermal reduction of graphene oxide (GO) at 90°C by hydrazine hydrate in an ammoniacal medium. This ammoniacal solution acts as a solvent as well as a basic medium where agglomeration of graphene can be prevented. This graphene solution has further been used for functionalization with Ag, Au, and Cu nanoparticles (NPs). The samples were characterized by X-ray diffraction (XRD), Raman spectroscop

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Liu, Ruoyu, Sirui Wang, Yuting Guo, Sheng-Feng Huang, and Takashi Tokumasu. "Coarse-Grained Molecular Dynamics Simulation of Ionomer-Mediated Carbon Cluster Bonding in Polymer Electrolyte Fuel Cell Catalyst Layers." ECS Meeting Abstracts MA2024-02, no. 43 (2024): 2902. https://doi.org/10.1149/ma2024-02432902mtgabs.

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In the field of sustainable energy technologies, Polymer Electrolyte Fuel Cells (PEFCs) represent a crucial advancement for achieving high-efficiency power generation. This study focuses on the specific behavior of ionomers within PEFCs, particularly how they facilitate the bonding of carbon clusters during the evaporation process, critical for the structural integrity and functionality of the catalyst layer. Amid the global shift toward a hydrogen economy, the development of robust and efficient PEFC technologies is imperative. The Nafion membrane, developed by DuPont, is the standard bearer

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Ivaništšev, Vladislav, Trinidad Méndez-Morales, Ruth M. Lynden-Bell, et al. "Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid–graphene electrode interfaces." Physical Chemistry Chemical Physics 18, no. 2 (2016): 1302–10. http://dx.doi.org/10.1039/c5cp05973a.

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We study mechanisms of solvent-mediated ion interactions with charged surfaces in ionic liquids by molecular dynamics simulations, in an attempt to reveal the main trends that determine ion–electrode interactions in ionic liquids.

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Lashkari, Sima, Sima A. Lashkari, and Rajinder Pal. "Ionic Liquid/Non-Ionic Surfactant Mixtures As Versatile, Non-Volatile Electrolytes: Double-Layer Capacitance and Conductivity." ECS Meeting Abstracts MA2022-01, no. 1 (2022): 5. http://dx.doi.org/10.1149/ma2022-0115mtgabs.

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Self-assembly of ionic liquids (ILs) on 2D materials such as graphene oxide and MXenes facilitated by non-ionic surfactants is a promising approach being increasingly used for the fabrication of high surface area electrodes resulting in high performance supercapacitors. However, the impact that non-ionic surfactants have on double-layer formation and ionic conductivity has yet to be explored. These surfactants are not ionically conductive, have low dielectric constants and high viscosity which are expected to impact the final performance of the electrode. In this study we analyze the effect of

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Charoeythornkhajhornchai, Pollawat, and Anongnat Somwangthanaroj. "Synthesis of Graphene Oxide Grafted with Epoxidized Natural Rubber via Aminosilane Linkage." Materials Science Forum 940 (December 2018): 28–34. http://dx.doi.org/10.4028/www.scientific.net/msf.940.28.

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Graphene oxide was synthesized from graphite by Hummer method and connected with (3-aminopropyl) triethoxysilane to form graphene oxide-aminosilane (GO-Si) linkage. The solution was centrifuged and washed with acetone to remove unreacted aminosilane before grafting with epoxidized natural rubber (ENR). ENR dissolved in toluene solution was mixed with GO-Si particle and dried at room temperature. Then, it was grafted to form graphene oxide grated with ENR via aminosilane linkage (GO-Si-ENR) by heat treatment. GO-Si-ENR was washed in toluene to remove unconnected ENR molecule. The synthesized GO

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Wang, Sijie, Gang Liu, and Junwen Pu. "Enhancement of the strength of biocomposite films via graphene oxide modification." BioResources 13, no. 3 (2018): 6321–31. http://dx.doi.org/10.15376/biores.13.3.6321-6331.

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Chitosan-cellulose film is found in food processing and biotechnology because of its biocompatibility, biodegradability, and antibacterial property. Despite the excellent properties, the presence of intramolecular and intermolecular hydrogen bonds cause cellulose and chitosan to be insoluble in common solvents, resulting in limited mechanical strength. Graphene oxide has heavy oxygen-containing functional groups with excellent mechanical properties, which makes it an ideal filler for reinforcing polymers. In this work, blends of graphene oxide and chitosan-cellulose were successfully produced

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Jin, Yezi, Zhijun Xu, Yanan Guo, and Xiaoning Yang. "Molecular-Level Recognition of Interaction Mechanism between Graphene Oxides in Solvent Media." Journal of Physical Chemistry C 122, no. 7 (2018): 4063–72. http://dx.doi.org/10.1021/acs.jpcc.7b12017.

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Nair, Adwaita SR, Subhash Mandal, Debmalya Roy, and N. EswaraPrasad. "Fabrication of cellular structures in thermoplastic polyurethane matrix using carbonaceous nanofillers." IOP Conference Series: Materials Science and Engineering 1219, no. 1 (2022): 012004. http://dx.doi.org/10.1088/1757-899x/1219/1/012004.

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Abstract In the present study, we have synthesized, graphene oxide (GO) by using modified Hummer’s method and reduced graphene oxide(rGO) by using hydrazine hydrate as reducing agent. Since GO and rGO have high surface area and modification of surface is easier, they produce drastic changes in the matrix properties at a very low loading volume. Oxygen functionalities further allow increased interaction with polar polymer composites. Modified hummers method is the most commonly and widely used method of chemical reduction to synthesis graphene oxide as it is rapid and safe. Unlike other method,

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Cui, Liting, Haining Wang, Sian Chen, et al. "The Interaction Energy between Solvent Molecules and Graphene as an Effective Descriptor for Graphene Dispersion in Solvents." Journal of Physical Chemistry C 125, no. 9 (2021): 5167–71. http://dx.doi.org/10.1021/acs.jpcc.0c10132.

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Rai, K. B., R. P. Yadav, P. M. Shrestha, S. P. Gupta, R. Neupane, and R. R. Ghimire. "Fabrication of Gas Sensor Based on Graphene for the Adsorption of Gases Produced from Waste Material in Kitchen and its Surrounding." Journal of Nepal Physical Society 8, no. 3 (2022): 26–31. http://dx.doi.org/10.3126/jnphyssoc.v8i3.50719.

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Graphene attracted to the researcher with huge attention due to their unique physicochemical properties including high specific surface area and high-speed electron mobility at room temperature. The graphene with several layers was synthesized through liquid phase exfoliation method using high shear force of the magnetic stirrer. This process was performed about 6 hour on the graphite powder and dimethyl-formamide solvent of 0.25 M, 0.5 M and 1 M concentration solution following the microwave treatment for 30 second and sonication for 2 hour at room temperature. The drop-casted exfoliated grap

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Shtepliuk, Ivan, Maria Santangelo, Mikhail Vagin, et al. "Understanding Graphene Response to Neutral and Charged Lead Species: Theory and Experiment." Materials 11, no. 10 (2018): 2059. http://dx.doi.org/10.3390/ma11102059.

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Deep understanding of binding of toxic Lead (Pb) species on the surface of two-dimensional materials is a required prerequisite for the development of next-generation sensors that can provide fast and real-time detection of critically low concentrations. Here we report atomistic insights into the Lead behavior on epitaxial graphene (Gr) on silicon carbide substrates by thorough complementary study of voltammetry, electrical characterization, Raman spectroscopy, and Density Functional Theory (DFT). It is verified that the epitaxial graphene exhibits quasi-reversible anode reactions in aqueous s

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Elazab, Hany A., and Tamer T. El-Idreesy. "Polyvinylpyrrolidone - Reduced Graphene Oxide - Pd Nanoparticles as an Efficient Nanocomposite for Catalysis Applications in Cross-Coupling Reactions." Bulletin of Chemical Reaction Engineering & Catalysis 14, no. 3 (2019): 490. http://dx.doi.org/10.9767/bcrec.14.3.3461.490-501.

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This paper reported a scientific approach adopting microwave-assisted synthesis as a synthetic route for preparing highly active palladium nanoparticles stabilized by polyvinylpyrrolidone (Pd/PVP) and supported on reduced Graphene oxide (rGO) as a highly active catalyst used for Suzuki, Heck, and Sonogashira cross coupling reactions with remarkable turnover number (6500) and turnover frequency of 78000 h-1. Pd/PVP nanoparticles supported on reduced Graphene oxide nanosheets (Pd-PVP/rGO) showed an outstanding performance through high catalytic activity towards cross coupling reactions. A simple

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Purwandari, Vivi, Saharman Gea, Basuki Wirjosentono, Agus Haryono, I. Putu Mahendra, and Yasir Arafat Hutapea. "Electrical and Thermal Conductivity of Cyclic Natural Rubber/Graphene Nanocomposite Prepared by Solution Mixing Technique." Indonesian Journal of Chemistry 20, no. 4 (2020): 801. http://dx.doi.org/10.22146/ijc.44791.

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Thermal and electrical conductivity studies of Cyclic Natural Rubber nanocomposite with graphene 1 and 2 phr (G1 and G2) and modified 1 and 2 graphenes (mG1 and mG2) have been carried out. Graphene was activated with cetrimonium bromide (CTAB), was isolated from Sawahlunto coal (Bb) by the Hummer modification method. The nanocomposite was fabricated through the mixing solution method using Xylena as a solvent. The characterizations of nanocomposites which were performed by Fourier Transform Infrared (FT-IR) and X-Ray Diffraction (XRD) reveals an interaction between graphene, CTAB and the CNR m

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Wang, Jian, Ryuki Suzuki, Kentaro Ogata, Takuto Nakamura, Aixue Dong, and Wei Weng. "Near-Linear Responsive and Wide-Range Pressure and Stretch Sensor Based on Hierarchical Graphene-Based Structures via Solvent-Free Preparation." Polymers 12, no. 8 (2020): 1814. http://dx.doi.org/10.3390/polym12081814.

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Flexible and wearable electronics have huge potential applications in human motion detection, human–computer interaction, and context identification, which have promoted the rapid development of flexible sensors. So far the sensor manufacturing techniques are complex and require a large number of organic solvents, which are harmful not only to human health but also to the environment. Here, we propose a facile solvent-free preparation toward a flexible pressure and stretch sensor based on a hierarchical layer of graphene nanoplates. The resulting sensor exhibits many merits, including near-lin

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