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Search Results (2,948)

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Keywords = functionalized graphene

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24 pages, 1614 KB  
Article
Structural, Thermal, and Phenol Adsorption Properties of a Humic Acid/Reduced Graphene Oxide Composite
by Alma Khassenovna Zhakina, Oxana Vasilievna Arnt, Yevgeniy Petrovich Vassilets, Almat Maulenuly Zhakin and Zainulla Muldakhmetov
Materials 2026, 19(16), 3371; https://doi.org/10.3390/ma19163371 - 7 Aug 2026
Abstract
A composite based on humic acid (HA) and reduced graphene oxide (rGO) was synthesized to evaluate the effect of rGO on the structural, functional, thermal, and preliminary phenol adsorption properties of humic acid. The incorporation of rGO increased the carbon content from 47.34 [...] Read more.
A composite based on humic acid (HA) and reduced graphene oxide (rGO) was synthesized to evaluate the effect of rGO on the structural, functional, thermal, and preliminary phenol adsorption properties of humic acid. The incorporation of rGO increased the carbon content from 47.34 to 55.61 wt.% and decreased the oxygen content from 48.31 to 40.79 wt.%. At the same time, the total content of carboxyl and phenolic hydroxyl groups increased from 5.00 to 5.47 mmol/g, indicating improved accessibility of oxygen-containing functional sites. FTIR spectroscopy confirmed the retention of the main functional groups of the initial components after composite formation. Thermogravimetric analysis showed enhanced thermal stability, with the residual mass at 1000 °C increasing from 59.21 to 70.03%. Electron microscopy revealed the formation of a developed wrinkled surface morphology. Preliminary phenol adsorption experiments showed that the HA-rGO composite exhibited higher adsorption capacity than the initial HA and rGO. This improvement was attributed to the combined contribution of oxygen-containing functional groups and the aromatic carbon structure of rGO, which may promote hydrogen bonding and π–π interactions with phenol molecules. Full article
30 pages, 10588 KB  
Article
Short- and Long-Term Electrochemical Response Prediction of Ni-Al-Powder-Coated Steel with Machine Learning
by Ayla Ocak, Ümit Işıkdağ, Sinan Melih Nigdeli and Gebrail Bekdaş
Coatings 2026, 16(8), 935; https://doi.org/10.3390/coatings16080935 - 6 Aug 2026
Abstract
Steel is the most fundamental material used in structural system elements in the construction industry. It needs to be coated with materials that provide resistance to high temperatures, wear, and corrosion. Ni-Al powder is preferred in coatings because nickel increases corrosion resistance and [...] Read more.
Steel is the most fundamental material used in structural system elements in the construction industry. It needs to be coated with materials that provide resistance to high temperatures, wear, and corrosion. Ni-Al powder is preferred in coatings because nickel increases corrosion resistance and aluminium forms an oxide layer to reduce oxidation. In the long term, the protective effect of coatings decreases, and corrosion resistance declines. In this study, a random forest model was evaluated using experimental data on the corrosion performance of A36 steel coated with Ni-Al powder for corrosion prevention, after exposure to a 3.5% NaCl solution for 1 h and 30 days for short- and long-term electrochemical response prediction. The impedance and phase angle characteristics, which represent the electrochemical response of coated and uncoated steel, have been predicted. In addition, the model’s reproducibility was investigated using the multi-seed (30 seeds) method to analyse the stability and consistency of the random forest model. The aim of this study was to develop a machine learning model that learns the frequency-dependent electrochemical impedance (Bode) response of graphene oxide-enriched Ni–Al coatings on steel, which reflects the corrosion-related electrochemical behaviour of the coating system, and to evaluate the model for predicting the impedance magnitude and phase angle of reference coatings over the investigated frequency range. The developed artificial intelligence model predicted the Bode response (impedance magnitude and phase angle) of coated and uncoated steel to NaCl solution after 1 h and 30 days as a function of frequency and coating type. The predicted impedance spectra reflected the deterioration of the corrosion protection performance of the Ni–Al coatings with increasing exposure time. The predicted EIS responses were subsequently used to assess changes in the corrosion-related electrochemical behaviour of the coatings over short- and long-term exposure. According to the findings, the random forest models can predict the frequency-dependent electrochemical response (impedance magnitude and phase angle) with high accuracy. Full article
(This article belongs to the Section Surface Characterization, Deposition and Modification)
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18 pages, 3798 KB  
Article
Laser-Induced Graphene Electrodes for Wrist-Worn Impedance Plethysmography Measurements: A Feasibility Study
by Jorge A. Uc-Martín, Alejandro Cortés-Díaz-Sandi, Ilianny Castellón-Pérez and Roberto G. Ramírez-Chavarría
Biosensors 2026, 16(8), 425; https://doi.org/10.3390/bios16080425 - 6 Aug 2026
Abstract
Electrical bioimpedance (BioZ) has emerged as a promising technique for the non-invasive monitoring of physiological parameters, owing to its ability to map functional activity into electrical changes. Particularly, impedance plethysmography (IPG) is used to track blood volume changes associated with cardiac activity. However, [...] Read more.
Electrical bioimpedance (BioZ) has emerged as a promising technique for the non-invasive monitoring of physiological parameters, owing to its ability to map functional activity into electrical changes. Particularly, impedance plethysmography (IPG) is used to track blood volume changes associated with cardiac activity. However, developing flexible, low-cost devices with enough sensitivity to serve as high-precision for IPGs remains an open challenge. In this work, we introduce laser-induced graphene (LIG) electrodes as an attractive alternative for IPG measurements. The electrodes were fabricated by generating LIG on a polyimide substrate using a 405 nm laser diode and were subsequently characterized morphologically, structurally, and electrically to produce a wrist-worn cardiac impedance sensor (WCIS). The design of the WCIS is based on interdigitated electrodes to detect IPG variations at the radial artery, from which the heart rate is estimated. We show experimental results on IPG signal analysis and its validation against electrocardiogram (ECG) signals as the gold standard. As a result, a mean absolute error (MAE) of 1.7 bpm, a root mean square error (RMSE) of 2.1 bpm, and a limit of agreement of approximately ±6 bpm were obtained. These outcomes demonstrate the feasibility of the WCIS as a promising, low-cost alternative for continuous, non-invasive cardiovascular monitoring in portable devices, based on the IPG principle. Full article
(This article belongs to the Special Issue Wearable Sensors and Systems for Continuous Health Monitoring)
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65 pages, 17028 KB  
Review
Carbon Nanotube-Based Gas Sensors: Sensing Mechanisms, Functional Interfaces, Gas-Specific Performance, and Flexible/Wearable Integration
by Daewoong Jung
Sensors 2026, 26(15), 4959; https://doi.org/10.3390/s26154959 - 5 Aug 2026
Viewed by 69
Abstract
Carbon nanotubes (CNTs) have become one of the most widely investigated nanomaterials for gas sensing because their nearly one-dimensional geometry, large surface-to-volume ratio, hollow structure, and tunable metallic or semiconducting character allow trace adsorption events to be transduced into measurable electrical signals at [...] Read more.
Carbon nanotubes (CNTs) have become one of the most widely investigated nanomaterials for gas sensing because their nearly one-dimensional geometry, large surface-to-volume ratio, hollow structure, and tunable metallic or semiconducting character allow trace adsorption events to be transduced into measurable electrical signals at or near room temperature. This review summarizes CNT-based gas sensors from a system-oriented perspective, linking four interconnected topics: (i) CNT structure, synthesis, and film/device fabrication; (ii) sensing mechanisms, including charge transfer, Schottky-barrier modulation, carrier-lifetime effects, and field-enhanced ionization; (iii) functional interfaces based on noble metals, metal oxides, conducting polymers, and graphene derivatives; and (iv) gas-specific and flexible/wearable device performance. Particular attention is given to recent room-temperature and mechanically compliant CNT-film sensors fabricated on polymer, cellulose, paper, textile, and mask substrates. Rather than cataloguing only individual response values, this review compares representative devices in terms of target gas, operating condition, sensitivity, recovery strategy, selectivity, humidity tolerance, and wearable relevance. The review concludes by discussing remaining challenges in reproducibility, selectivity, humidity compensation, recovery, power consumption, and standardization, and by outlining future directions toward robust, scalable, and intelligent CNT-enabled sensing systems. Full article
(This article belongs to the Section Chemical Sensors)
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26 pages, 11038 KB  
Article
Low-Cost Pulsed Spray Pyrolysis Synthesis of ZnO-rGO and F-Doped SnO2 Thin Films
by Seham K. Abdel-Aal, Mohamed F. Kandeel, Raghda Sabry, Maxim Ganchev, Stanka Spasova, Abdallah Dayhoum and Ahmed S. Abdel-Rahman
Inventions 2026, 11(4), 82; https://doi.org/10.3390/inventions11040082 - 5 Aug 2026
Viewed by 148
Abstract
In the present work, graphene-modified zinc oxide (ZnO-rGO) and fluorine-doped tin oxide (FTO) thin films were successfully fabricated using a simple, low-cost pulsed spray pyrolysis technique. The structural, morphological, optical, electrical, and surface electronic properties of the deposited films were systematically characterized. X-ray [...] Read more.
In the present work, graphene-modified zinc oxide (ZnO-rGO) and fluorine-doped tin oxide (FTO) thin films were successfully fabricated using a simple, low-cost pulsed spray pyrolysis technique. The structural, morphological, optical, electrical, and surface electronic properties of the deposited films were systematically characterized. X-ray diffraction (XRD) analysis confirmed the formation of polycrystalline ZnO- and SnO2-based phases with crystallite sizes in the nanometer range. The crystallographic parameters, microstrain, and dislocation density of the deposited films were found to be influenced by the incorporation of reduced graphene oxide (rGO) and fluorine dopants. Scanning electron microscopy (SEM) revealed compact and homogeneous surface morphologies with good film coverage and well-defined nanocrystalline features. Optical characterization demonstrated the wide-bandgap semiconducting behavior of the deposited films, with optical bandgap energies ranging from 3.262 to 3.312 eV for the ZnO-rGO films and from 3.91 to 4.01 eV for the FTO films. Kelvin probe measurements yielded work-function values in the range of approximately 5.0–5.2 eV, indicating favorable surface electronic characteristics suitable for optoelectronic applications. Furthermore, fluorine incorporation enhanced the dielectric response of the SnO2 films, particularly in the low-frequency region owing to increased interfacial polarization effects. The obtained results demonstrate that pulsed spray pyrolysis provides a simple, cost-effective, and efficient route for fabricating ZnO-rGO and FTO thin films with desirable structural, optical, electrical, and surface electronic properties. These findings highlight the considerable potential of the developed materials for transparent electrodes and a wide range of optoelectronic applications. Full article
(This article belongs to the Section Inventions and Innovation in Advanced Manufacturing)
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16 pages, 9633 KB  
Article
Oxygen-Content-Dependent Interfacial and Barrier Effects of Graphene Fillers in PVA Adhesives Toward Durable Polarizer Applications
by Chang Sun, Wentao Huang, Ziyuan Zheng, Rui Huang, Qinghua Zhao and Guohua Chen
Polymers 2026, 18(15), 1916; https://doi.org/10.3390/polym18151916 - 5 Aug 2026
Viewed by 171
Abstract
Waterborne poly(vinyl alcohol) (PVA) adhesives are widely used in iodine-based polarizers, owing to their excellent transparency and interfacial adhesion. However, the intrinsic hydrophilicity of PVA compromises the long-term durability of polarizers under humid conditions. Herein, graphene derivatives with tunable oxygen contents and graphitization [...] Read more.
Waterborne poly(vinyl alcohol) (PVA) adhesives are widely used in iodine-based polarizers, owing to their excellent transparency and interfacial adhesion. However, the intrinsic hydrophilicity of PVA compromises the long-term durability of polarizers under humid conditions. Herein, graphene derivatives with tunable oxygen contents and graphitization degrees, including graphene oxide (GO), partially reduced graphene oxide (rGO), and graphene nanosheets (GNs), were incorporated into a PVA/PEI adhesive system to investigate the oxygen-content-dependent interfacial interactions and moisture-barrier mechanisms. Structural analyses reveal that oxygen-rich GO enhances interfacial hydrogen bonding and polymer–graphene interactions, whereas highly graphitized GN primarily functions through its intrinsic lamellar barrier effect by increasing diffusion tortuosity and reducing water affinity. The rGO exhibits a compromise between interfacial interactions and barrier effects due to its moderate oxygen content and preserved graphene structure. Among them, the GN-modified adhesive demonstrates the most favorable overall performances, achieving a 14.71% reduction in the water vapor transmission rate (WVTR) of the assembled polarizer, enhanced moisture resistance, and improved antistatic capability while maintaining acceptable optical transparency. Furthermore, practical polarizer evaluations confirm that GN effectively suppresses moisture penetration, with only slight bubbling observed after 8 days of water immersion and no delamination or polarization degradation during a 40-day immersion test. These findings provide insights into the relationship between graphene oxygen content, interfacial interactions, and moisture-barrier behavior, offering an effective strategy for designing durable multifunctional waterborne adhesives for advanced optoelectronic polarizer applications. Full article
(This article belongs to the Section Polymer Composites and Nanocomposites)
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26 pages, 2923 KB  
Review
Applications of THz Technology in Materials Characterization, Sensing, Communication, and Biomedical Fields
by Kunal Kumar and Abdullah Eroglu
Electronics 2026, 15(15), 3454; https://doi.org/10.3390/electronics15153454 - 4 Aug 2026
Viewed by 201
Abstract
Terahertz (THz) technology has emerged as a versatile platform enabling advancements across materials characterization, sensing, wireless communication, and biomedical diagnostics. This review provides a unified perspective on these application domains by highlighting the central role of terahertz time-domain spectroscopy (THz-TDS) as a fundamental [...] Read more.
Terahertz (THz) technology has emerged as a versatile platform enabling advancements across materials characterization, sensing, wireless communication, and biomedical diagnostics. This review provides a unified perspective on these application domains by highlighting the central role of terahertz time-domain spectroscopy (THz-TDS) as a fundamental tool for probing material electrodynamics. THz-TDS enables simultaneous measurement of amplitude and phase of the electric field, allowing contact-free direct extraction of complex permittivity, conductivity and other dielectric properties. Building on this capability, the review connects material-level properties to device and system-level functionalities, including metamaterial-based sensors, graphene-enabled reconfigurable intelligent surfaces (RISs), and beam-steering architectures relevant to 6G and beyond communication systems. Furthermore, the potential of THz techniques in biomedical applications is discussed in detail, particularly for non-invasive tumor detection through dielectric contrast mapping and imaging-based reconstruction methods. By integrating developments across these domains, this review presents THz-TDS as a unifying framework that links materials physics to emerging technologies in sensing, communication, and healthcare, offering insights into future directions for THz research and applications. The principal contribution of this review is to present a cross-domain framework that relates THz field measurements and extracted material electrodynamics to sensing, reconfigurable wavefront control, communication technologies, and biomaterials characterization. Full article
(This article belongs to the Special Issue Terahertz Communication Networks for 6G and Beyond)
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26 pages, 17893 KB  
Article
Study on the Surface Enhancement Enrichment Mechanism of Fe3O4-PDA-Au-GO Substrate for Phenanthrene Detection
by Junyu Liu, Pengshuai Li, Wencan Cui, Keyu Lin, Hao Yan, Shihua Sang, Liang Guan and Kecheng Gu
Coatings 2026, 16(8), 923; https://doi.org/10.3390/coatings16080923 - 3 Aug 2026
Viewed by 196
Abstract
In our prior research (2022), a Fe3O4@PDA@Au@GO composite was reported as a surface-enhanced Raman scattering (SERS) substrate for phenanthrene detection, with a detection limit of 10−7 g/L. The current study is a mechanistic follow-up investigation, which aims to [...] Read more.
In our prior research (2022), a Fe3O4@PDA@Au@GO composite was reported as a surface-enhanced Raman scattering (SERS) substrate for phenanthrene detection, with a detection limit of 10−7 g/L. The current study is a mechanistic follow-up investigation, which aims to explore the enhancement and enrichment mechanisms of the same substrate. By integrating density functional theory (DFT) calculations, adsorption experiments, and spectroscopic analyses (Raman, FTIR, XPS) before and after adsorption, the surface enhancement mechanism of the Fe3O4-PDA-Au-GO composite substrate is investigated. Our findings suggest that Fe3O4 enables efficient magnetic separation. The polydopamine (PDA) modification layer appears to enhance the uniformity and stability of the substrate surface, which is beneficial for uniform loading of Au nanoparticles (Au NPs). Graphene oxide (GO) and PDA are found to contribute to the effective enrichment of phenanthrene. Au NPs (mostly in the metallic Au0 state) may provide electromagnetic enhancement through localized surface plasmon resonance, and may also contribute to chemical enhancement through possible interactions with phenanthrene. Overall, the stepwise comparison presented in this study is consistent with the proposed roles of Au and GO in enhancing the SERS performance, which collectively improve the detection sensitivity. Full article
(This article belongs to the Section Surface Characterization, Deposition and Modification)
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23 pages, 2395 KB  
Review
Toward Intelligent and Sustainable Membrane Engineering: Integrating Computational Fluid Dynamics, Machine Learning, and Material Assessment
by Adriana K. N. Vargas, Diego A. Nunez Vallejos and Edgar Mosquera-Vargas
Sci 2026, 8(8), 189; https://doi.org/10.3390/sci8080189 - 1 Aug 2026
Viewed by 122
Abstract
Membrane technologies play a role in water treatment, energy conversion, and industrial separation processes; however, their performance is limited by fouling, polarization phenomena, transport inefficiencies, and energy consumption. This study presents a review of the integration of computational fluid dynamics and machine learning [...] Read more.
Membrane technologies play a role in water treatment, energy conversion, and industrial separation processes; however, their performance is limited by fouling, polarization phenomena, transport inefficiencies, and energy consumption. This study presents a review of the integration of computational fluid dynamics and machine learning in membrane technologies, complemented by an environmental and engineering assessment of representative membrane materials. A systematic literature screening based on PRISMA guidelines was conducted using the Scopus (Elsevier B.V., Amsterdam, The Netherlands) and Web of Science (Clarivate, Philadelphia, PA, USA) databases, yielding 1421 records, of which 54 studies met the predefined relevance criteria. The analysis revealed a transition from conventional physics-based approaches toward hybrid simulation–machine learning frameworks, with artificial neural networks, surrogate models, and optimization emerging as the dominant methodologies. Energy consumption was identified as the most frequently investigated variable, particularly in desalination, fuel cell, electrodialysis, and hydrogen production systems. A complementary material-level assessment showed that conventional polymeric membranes, especially polyamide-based systems, remain dominant due to their performance and economic feasibility, whereas advanced materials such as graphene, carbon nanotubes, and perovskites offer promising functional properties but face challenges. The findings highlight the potential of integrated simulation–machine learning–material assessment frameworks to accelerate the development of intelligent and sustainable membrane technologies for future applications. Full article
(This article belongs to the Section Engineering)
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17 pages, 2199 KB  
Article
Hydrophobic PTFE/rGO Aerogels with High Polymer Content as Water Sorbents
by Sergey A. Baskakov, Yuliya V. Baskakova, Anastasiya V. Zharkovskaya, Svetlana S. Krasnikova, Nataliya Y. Shulga, Dmitriy A. Chernyaev, Eugene N. Kabachkov, Mikhail V. Zhidkov, Yury M. Shulga and Gennady L. Gutsev
J. Compos. Sci. 2026, 10(8), 407; https://doi.org/10.3390/jcs10080407 - 1 Aug 2026
Viewed by 195
Abstract
Composite aerogels based on polytetrafluoroethylene (PTFE) and graphene oxide (GO) with a high polymer content of 90, 95 and 98 wt.% were synthesized for the first time. It was found that GO performs a structure-forming function, allowing the production of monolithic three-dimensional frameworks [...] Read more.
Composite aerogels based on polytetrafluoroethylene (PTFE) and graphene oxide (GO) with a high polymer content of 90, 95 and 98 wt.% were synthesized for the first time. It was found that GO performs a structure-forming function, allowing the production of monolithic three-dimensional frameworks stable under freeze-drying conditions even at a minimal concentration of 2 wt.%, whereas pure PTFE is destroyed under these conditions. Subsequent annealing of the composites at 370 °C, which is higher than the decomposition temperature of oxygen-containing groups of GO and the melting point of PTFE, leads to the formation of PTFE/reduced graphene oxide (rGO) aerogels. A direct dependence of shrinkage during annealing on the polymer content was observed: it sharply increases from 2.1% to 26.6% with an increasing proportion of PTFE. This effect is explained by the dominant role of capillary forces pulling together the rGO sheets in the molten polymer, while the rGO frame resists the shrinkage. The most significant result is the achievement of a record low water sorption capacity (Qw) for an aerogel with 98% PTFE, amounting to only 0.001 g/g. This value is several orders of magnitude lower than that of pure rGO aerogel (~20 g/g), confirming that a high content of hydrophobic polymer combined with thermal treatment effectively shields the hydrophilic sites on the surface of the rGO sheets. The composites obtained in this work exhibit high hydrophobicity (contact angles up to 144°) and unique potential for the selective absorption of organic solvents from water. Full article
(This article belongs to the Section Carbon Composites)
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21 pages, 4244 KB  
Article
Electrochemical Sensing of Dopamine with a Nafion-Coated Reduced Graphene Oxide/Polypyrrole-Functionalized Magnetic Nanoparticles Composite
by Afef Dhaffouli, Paul E. D. Soto-Rodríguez, Soledad Carinelli, Houcine Barhoumi, José Luis González-Mora and Pedro A. Salazar-Carballo
Micromachines 2026, 17(8), 908; https://doi.org/10.3390/mi17080908 - 29 Jul 2026
Viewed by 294
Abstract
An electrochemical sensor based on a novel composite of electrochemically reduced graphene oxide, polypyrrole-coated magnetic nanoparticles (MNPs@PPy), and Nafion was developed for dopamine (DA) detection. The structural, thermal, and electrochemical properties of the composite were validated through a combination of advanced spectroscopic techniques, [...] Read more.
An electrochemical sensor based on a novel composite of electrochemically reduced graphene oxide, polypyrrole-coated magnetic nanoparticles (MNPs@PPy), and Nafion was developed for dopamine (DA) detection. The structural, thermal, and electrochemical properties of the composite were validated through a combination of advanced spectroscopic techniques, thermal profiling, electron microscopy, and impedance analyses. Under optimized conditions, differential pulse voltammetry (DPV) revealed a high sensitivity (1.573 A·M−1·cm−2, R2 = 0.9874) and a limit of detection (LOD) of 5.4 × 10−9 M for DA. The sensor displayed excellent selectivity, showing minimal interference from ascorbic acid, uric acid, and acetaminophen. Repeatability and reproducibility were confirmed (coefficient of variation ~8%). Real-sample analysis of urine and blood demonstrated recovery rates between 75 and 116%. Full article
(This article belongs to the Special Issue Nanomaterials for Energy Storage and Sensing Applications)
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23 pages, 25491 KB  
Article
Hybrid Graphene Nanoplatelet/C60 Nanocomposite Modification of HVOF-Metallized Carbon Fiber-Reinforced Polymer Coatings to Improve Adhesion, Barrier Performance, and Surface Functionality
by Iram Riaz, Xingyu Wang, Hong Pan and Zhibin Lin
Coatings 2026, 16(8), 900; https://doi.org/10.3390/coatings16080900 - 28 Jul 2026
Viewed by 283
Abstract
Thermally sprayed metallic coatings on carbon fiber-reinforced polymer (CFRP) substrates often contain pores and microstructural defects that can reduce adhesion, durability, and protective performance. In this study, a hybrid graphene nanoplatelet (GNP)-fullerene C60 reinforced epoxy coating was applied to HVOF-metallized CFRP, while a [...] Read more.
Thermally sprayed metallic coatings on carbon fiber-reinforced polymer (CFRP) substrates often contain pores and microstructural defects that can reduce adhesion, durability, and protective performance. In this study, a hybrid graphene nanoplatelet (GNP)-fullerene C60 reinforced epoxy coating was applied to HVOF-metallized CFRP, while a carbon nanotube (CNT)-based surface treatment was used to modify surface wettability. Micro-CT and SEM analyses indicated morphological changes consistent with partial coverage of accessible surface-connected defects and modification of the metallized layer surface. Pull-off adhesion strength increased from 320 psi to 650 psi, accompanied by a shift from adhesive to cohesive failure. The optimal nanofiller formulation improved tensile strength from approximately 25 MPa to 56 MPa (124%) and Young’s modulus by approximately 47% compared with neat epoxy. Abrasion testing showed more than 50% reduction in mass loss, and electrochemical impedance spectroscopy indicated improved barrier performance after 200 h of salt spray exposure. CNT surface modification transformed the coating from hydrophilic to superhydrophobic behavior, achieving water contact angles above 155°, delaying ice formation, and reducing ice accumulation. These results indicate that combining hybrid nanocomposite coatings with CNT functionalization can improve mechanical, protective, and surface-functional performance of HVOF-metallized CFRP systems under the laboratory conditions investigated. Full article
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14 pages, 658 KB  
Article
Elemental and Stable Isotope Validation of Stepwise Graphene Oxide Functionalization to GRAPHYMERE®
by Davide Di Rosa, Gennaro Ruggiero, Francesco Caso, Mauro Rubino, Fabio Marzaioli, Roberto Sorrentino, Fernando Zarone and Giuseppe Caso
Materials 2026, 19(15), 3206; https://doi.org/10.3390/ma19153206 - 27 Jul 2026
Viewed by 244
Abstract
Stepwise functionalization of graphene oxide (GO) into polymerizable derivatives requires analytical evidence able to distinguish chemical modification from the spectral overlap typical of oxidized carbon frameworks. Here, pristine GO, amine-functionalized GO (GO–ED), and the methacrylamide-modified derivative GRAPHYMERE® were compared by elemental analysis [...] Read more.
Stepwise functionalization of graphene oxide (GO) into polymerizable derivatives requires analytical evidence able to distinguish chemical modification from the spectral overlap typical of oxidized carbon frameworks. Here, pristine GO, amine-functionalized GO (GO–ED), and the methacrylamide-modified derivative GRAPHYMERE® were compared by elemental analysis and stable isotope ratio mass spectrometry. Carbon content increased progressively from GO to GRAPHYMERE®, while nitrogen was reproducibly incorporated after amination and retained after methacrylamide modification. The materials also showed a monotonic δ13C shift and distinct δ15N signatures for the nitrogen-containing derivatives, consistent with progressive bulk chemical modification. These elemental–isotopic trends provide complementary support for the proposed functionalization pathway and for the analytical distinction among the starting material, intermediate, and final derivative. EA–IRMS is therefore proposed as an additional batch-screening tool for chemically complex GO-based precursors intended for future polymeric and dental-material applications, without replacing bond-specific structural techniques. Full article
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23 pages, 31766 KB  
Article
Computational Insights into Polymer Binder–Graphene Interfaces: Chitosan-Functionalized Graphene Oxide as a Sustainable Platform for Lithium-Ion Batteries
by Joaquín Alejandro Hernández Fernández, Rodrigo Ortega-Toro and Jose Alfonso Prieto Palomo
J. Compos. Sci. 2026, 10(8), 391; https://doi.org/10.3390/jcs10080391 - 27 Jul 2026
Viewed by 326
Abstract
Developing sustainable lithium-ion batteries (LIBs) requires binder–carbon interfaces that combine mechanical compatibility, interfacial cohesion, and reduced environmental impact. In this work, density functional theory calculations were used to evaluate the interactions of representative binder monomers acrylonitrile (AN), pyrrole (PY), vinylidene fluoride (VDF), and [...] Read more.
Developing sustainable lithium-ion batteries (LIBs) requires binder–carbon interfaces that combine mechanical compatibility, interfacial cohesion, and reduced environmental impact. In this work, density functional theory calculations were used to evaluate the interactions of representative binder monomers acrylonitrile (AN), pyrrole (PY), vinylidene fluoride (VDF), and tetrafluoroethylene (TFE) with pristine graphene and chitosan-functionalized graphene oxide (GO/chitosan). Structural, energetic, electronic, and topological features were analyzed using counterpoise-corrected interaction energies, frontier-orbital descriptors, molecular electrostatic potential maps, projected density of states, noncovalent interaction analysis, and quantum theory of atoms in molecules topology. Final interaction energies were obtained at the M06-2X/def2-TZVP level with Boys–Bernardi counterpoise correction to provide a more robust description of weak noncovalent adsorption. Most binder–surface interactions fall within a weak, near-thermoneutral adsorption regime. On pristine graphene, AN and PY exhibit weakly favorable adsorption, with minimum counterpoise-corrected interaction energies of −3.13 and −2.10 kcal mol−1, respectively, whereas TFE and VDF show orientation-dependent, near-neutral behavior. GO/chitosan introduces oxygen-containing and amino functionalities that modify the adsorption balance, particularly for selected perpendicular configurations of fluorinated monomers, although the net stabilization remains modest. NCI, QTAIM, MEP, and PDOS analyses indicate that surface functionalization increases the chemical heterogeneity and directionality of local contacts; however, these local descriptors do not necessarily translate into strong global adsorption energies. Overall, the results identify GO/chitosan as a chemically tunable interface for binder–carbon compatibility in LIB electrodes and demonstrate the importance of triple-ζ, counterpoise-corrected calculations for evaluating weak binder–surface interactions. Full article
(This article belongs to the Section Polymer Composites)
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18 pages, 2311 KB  
Article
Analytical Solution for Thermal Buckling of Functionally Graded Graphene Origami-Enabled Auxetic Metamaterial Cylindrical Shells
by Zuoquan Zhu, Nan Zhao, Yuyan Zhou and Jianfeng Lu
Nanomaterials 2026, 16(15), 917; https://doi.org/10.3390/nano16150917 - 26 Jul 2026
Viewed by 173
Abstract
Composite cylindrical shells suffer from thermal buckling in harsh thermal environments, impairing overall structural safety. This study aims to improve the thermal stability of such shells by investigating the thermal buckling behavior of graphene origami metamaterial-reinforced composite cylindrical shells. Four common thickness-wise distribution [...] Read more.
Composite cylindrical shells suffer from thermal buckling in harsh thermal environments, impairing overall structural safety. This study aims to improve the thermal stability of such shells by investigating the thermal buckling behavior of graphene origami metamaterial-reinforced composite cylindrical shells. Four common thickness-wise distribution patterns (UD, FG-X, FG-O, and FG-A) are adopted, and temperature-dependent material properties are taken into account. Based on classical thin-shell theory with geometric nonlinearity, thermal buckling governing equations are derived. Analytical solutions of critical buckling temperature rises are obtained via an iterative procedure for both temperature-dependent and temperature-independent material models. Parametric studies are conducted to explore key influencing factors including reinforcement distribution, filler content, folding degree, tangential edge constraints, and shell geometric parameters. The results reveal that critical buckling temperature is strongly dependent on graphene origami distribution and structural features. Increasing filler content enhances thermal buckling resistance, while folding degree also dominates structural stability. Additionally, tangential constraints and geometric dimensions exert obvious effects. Significant discrepancies exist between two material models, verifying that temperature-dependent material properties are essential for precise thermal buckling analysis of the proposed composite shells. Full article
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