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Open AccessArticle

Descriptor–Response Analysis of CO₂ Adsorption and Activation on Cu_nSc Nanoclusters Using r²SCAN-3c Calculations

by Katherine Liset Ortiz Paternina, Rodrigo Ortega-Toro and Joaquín Hernández Fernández

J. Compos. Sci. 2026, 10(6), 315; https://doi.org/10.3390/jcs10060315 - 10 Jun 2026

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Abstract

This study analyzed the initial adsorption and activation of CO₂ on bimetallic Cu_nSc nanoclusters, with n = 3–7, using DFT calculations in ORCA with the r²SCAN-3c method. A total of 20 bare clusters and their corresponding Cu_n [...] Read more.

This study analyzed the initial adsorption and activation of CO₂ on bimetallic Cu_nSc nanoclusters, with n = 3–7, using DFT calculations in ORCA with the r²SCAN-3c method. A total of 20 bare clusters and their corresponding Cu_nSc–CO₂ complexes were investigated, considering four structural configurations for each composition. To avoid classification based solely on adsorption energy, a global CO₂ activation index was developed and defined as IACO₂ = z(AG) + z(CTCO₂) + z(Bending) + z(ΔrC–O). In this index, AG = −ΔG_ads, CT_CO₂ = −qCO₂, bending corresponds to (180° − ∠O–C–O), and (ΔrC–O) represents the average elongation of the C–O bonds. This descriptor enabled distinguishing complexes that only stabilize CO₂ from those that induce effective geometric and electronic activation. Although 5IV and 3IV exhibited favorable adsorption, with (ΔG_ads) values of −52.978 and −53.494 kcal mol⁻¹, respectively, their molecular activation was low, with nearly linear CO₂ and minimal or unfavorable charge transfer. In contrast, 7III and 7II showed the highest activation, with CT_CO₂ values of 1.206 and 1.163, bending values of 69.867° and 68.869°, and C–O elongations of 0.208 and 0.195 Å, respectively. The standardized (IACO₂) ranking identified 7III, 7II, 3III, and 3II as the most relevant systems, with scores of 100.0, 93.8, 88.2, and 86.8, respectively. These results show that CO₂ activation on Cu_nSc nanoclusters should not be assessed solely by (ΔG_ads), but rather by a multi-criteria approach that accounts for stability, charge transfer, and molecular distortion. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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16 pages, 8085 KB

Open AccessArticle

Multifunctional Polysaccharide Hydrogel Ameliorates Cardiac Function After Myocardial Infarction via Antioxidant, Immunomodulatory, and Pro-Angiogenic Activities

by En-Can Zhu, Xiao-Yun Lan, Zhen Chen, Jin-Yu Yue, Qi-Hang Yang and Chuang-Nian Zhang

J. Compos. Sci. 2026, 10(6), 287; https://doi.org/10.3390/jcs10060287 - 25 May 2026

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Abstract

Myocardial infarction (MI) triggers excessive oxidative stress, a detrimental immune response, and insufficient angiogenesis, which collectively impede effective cardiac repair. This study developed a multifunctional composite polysaccharide hydrogel, termed KgXd^gel, based on konjac glucomannan (KGM) and xanthan gum (XG) functionalized with [...] Read more.

Myocardial infarction (MI) triggers excessive oxidative stress, a detrimental immune response, and insufficient angiogenesis, which collectively impede effective cardiac repair. This study developed a multifunctional composite polysaccharide hydrogel, termed KgXd^gel, based on konjac glucomannan (KGM) and xanthan gum (XG) functionalized with gallic acid (GA) and dopamine (DA), respectively, to integrate reactive oxygen species (ROS) scavenging, macrophage polarization, and pro-angiogenic activities. In vitro assays demonstrated that the KgXd^gel hydrogel exhibited excellent cytocompatibility, effectively scavenged ROS, promoted the polarization of macrophages towards the reparative M2 phenotype, and enhanced the migration and tube formation of human umbilical vein endothelial cells. In a rat MI model, treatment with KgXd^gel significantly improved cardiac function (e.g., left ventricular ejection fraction, LVEF; left ventricular fractional shortening, LVFS), attenuated left ventricular dilation (LVIDs), and favorably modulated the post-infarction microenvironment. This was evidenced by the upregulation of the M2 marker CD163 and the angiogenic factor VEGF, alongside the downregulation of pro-inflammatory cytokines (e.g., IL-1β, TNF-α) and the M1 marker iNOS. These findings conclusively demonstrate that the KgXd^gel hydrogel synergistically promotes cardiac repair post-MI through its integrated antioxidant, immunomodulatory, and pro-angiogenic functions, presenting a promising multi-targeted therapeutic strategy. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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16 pages, 3425 KB

Open AccessArticle

Unveiling the Photocatalytic Efficiency of SnO₂-TiO₂ Nanocomposites Under UV and Solar Irradiations for Malachite Green Dye Pollutant Water Degradation

by Synthiya Senthilkumar, Thirugnanam Thilagavathi, Rethinavelu Renuka, Uthrakumar Ramamurthy, Kandhasamy Parasuraman, Shaik Ashmath, Seung Won Kim and Shaik Gouse Peera

J. Compos. Sci. 2026, 10(5), 250; https://doi.org/10.3390/jcs10050250 - 4 May 2026

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Abstract

The SnO₂-TiO₂ binary nanocomposites’ metal oxide was synthesized by a co-precipitation method and potentially utilized for wastewater treatment applications. The average crystallite size, dislocation density, and micro strain of the synthesized nanocomposites were calculated by the Debye–Scherrer, modified Debye–Scherrer, and [...] Read more.

The SnO₂-TiO₂ binary nanocomposites’ metal oxide was synthesized by a co-precipitation method and potentially utilized for wastewater treatment applications. The average crystallite size, dislocation density, and micro strain of the synthesized nanocomposites were calculated by the Debye–Scherrer, modified Debye–Scherrer, and W–H methods. The nanocomposites exhibit a tetragonal crystal structure with 62% crystallinity. The presence of Ti–O–Ti and Sn–O–Sn bonds was identified using the FTIR technique. The surface morphology was examined during SEM and EDAX analyses. The optical properties were interpreted with the help of UV–Vis and PL spectroscopy, and the bandgap energy was ascertained. From the CV and EIS studies, the behavior of the diffusive and capacitive natures was determined. Photocatalytic studies were carried out under sunlight and UV light by degrading (cationic) malachite dye at concentrations of 10, 20, and 40 mg/L. When analyzed with seven kinetic models, it was inferred that a pseudo-second and first-order were followed under visible and UV light. The maximum degradation efficiency of 94% was achieved for the 20 mg/L dye concentration within 50 min under UV and 150 min under solar irradiation. Complete decolorization was observed for both 10 mg/L and 20 mg/L dye concentrations under both irradiations. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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20 pages, 22829 KB

Open AccessArticle

Microstructure-Sensitive Analysis of Fatigue Delamination in Notched Woven Composites via High-Resolution X-Ray Computed Tomography and Statistical Visualisation Mapping

by Sanjay M. Sisodia, Daniel J. Bull, Andrew R. George, Mark N. Mavrogordato, S. Mark Spearing and David T. Fullwood

J. Compos. Sci. 2026, 10(5), 247; https://doi.org/10.3390/jcs10050247 - 30 Apr 2026

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Abstract

This study presents a novel methodology integrating high-resolution X-ray computed tomography, digital volume correlation and statistical visualisation mapping, to perform microscale observations and correlate delamination fracture mechanisms in heterogeneous materials. To demonstrate the utility of this integrated approach, it is applied to study [...] Read more.

This study presents a novel methodology integrating high-resolution X-ray computed tomography, digital volume correlation and statistical visualisation mapping, to perform microscale observations and correlate delamination fracture mechanisms in heterogeneous materials. To demonstrate the utility of this integrated approach, it is applied to study the damage behaviour of aerospace carbon/epoxy composite laminates with an open hole, subjected to quasi-static tension and fatigue at a load ratio of 1:10. The study also explores the applicability of a Paris law type relationship to determine effective macroscopic fatigue delamination resistance in the load-bearing plies. The X-ray imaging for both load cases revealed extensive formation of delaminated fracture surfaces surrounding both glass fibre interlacing weaves and entrained voids within them, acting as preferential sites for localised strain hot spots. It is demonstrated that local energy dissipation is governed by the recurring weave pattern and topological order, which can help explain the typical damage state in quasi-static behaviour, establishing a direct link between microstructural features and macrostructural material response. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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21 pages, 19003 KB

Open AccessArticle

Experimental Evaluation of Induction- and Conduction-Welded Thermoplastic Composite Single-Lap Shear Joints

by Arne Schiller and Chiara Bisagni

J. Compos. Sci. 2026, 10(5), 241; https://doi.org/10.3390/jcs10050241 - 29 Apr 2026

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Abstract

Single-lap shear joints made from fabric T300/polyphenylene sulfide (T300/PPS) and unidirectional T700/low-melt polyaryletherketone (T700/LM-PAEK) laminates are joined via induction and conduction welding at different processing temperatures. The joints are tested experimentally to investigate the influence of the processing temperature on the damage evolution [...] Read more.

Single-lap shear joints made from fabric T300/polyphenylene sulfide (T300/PPS) and unidirectional T700/low-melt polyaryletherketone (T700/LM-PAEK) laminates are joined via induction and conduction welding at different processing temperatures. The joints are tested experimentally to investigate the influence of the processing temperature on the damage evolution in the specimens which is tracked using digital image correlation. Cracks grow rapidly in the unwelded parts of the joint interface but assume a stable steady-state propagation rate when reaching the fully welded overlap region. It is found that higher welding temperatures lead to longer weld lengths, which improve the strength and stiffness of the specimens and delay damage initiation. An accelerated crack growth rate indicates that the structure is close to its ultimate load after which the joint fails abruptly as the crack growth becomes unstable. Induction welding temperatures at the upper end of the recommended processing window (330 °C for T300/PPS and 385 °C for T700/LM-PAEK) result in the joints with the highest load-carrying capacity and slowest crack propagation, but also the least damage tolerance. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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19 pages, 5829 KB

Open AccessArticle

On the Burr Formation in Aramid Fiber Reinforced Composite Machining Considering Tool Edge Radius Influence

by Wenjun Cao, Yaolong Chen, Bo Li, Jie Xu and Feng Feng

J. Compos. Sci. 2026, 10(4), 180; https://doi.org/10.3390/jcs10040180 - 27 Mar 2026

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Abstract

Aramid fiber reinforced polymers (AFRPs) are widely used in aerospace and defense structures because of their high specific strength, impact resistance, and damage tolerance. However, severe burr formation during machining remains a major obstacle to achieving high surface integrity and dimensional accuracy. In [...] Read more.

Aramid fiber reinforced polymers (AFRPs) are widely used in aerospace and defense structures because of their high specific strength, impact resistance, and damage tolerance. However, severe burr formation during machining remains a major obstacle to achieving high surface integrity and dimensional accuracy. In particular, the mechanism by which tool edge radius affects burr formation in AFRP cutting has not yet been clarified quantitatively. To address this issue, this study develops an analytical model for the orthogonal cutting of AFRPs to reveal the burr formation mechanism associated with tool edge radius. The model, established on the basis of contact mechanics and fracture theory, predicts fiber deflection, cutting force evolution, fracture behavior, and burr length under different contact and boundary conditions. The results show that tool edge radius governs burr formation through a contact–state transition mechanism. When the edge radius is below a critical threshold, localized point-contact-like interaction promotes stress concentration and fiber fracture, leading to relatively clean material removal. When the edge radius exceeds this threshold, the interaction evolves toward extended contact and sliding, which suppresses complete fiber fracture and results in pronounced burr retention. Experimentally, increasing the edge radius from 5.6 μm to 110.3 μm increased the maximum burr height from 3.19 μm to 83.58 μm, corresponding to an increase of approximately 2520%. The predicted burr evolution agrees well with the experimental observations in both trend and characteristic magnitude. This study provides a mechanistic and predictive understanding of burr formation in AFRP machining and offers practical guidance for cutting edge preparation, tool wear control, and process optimization in high-quality composite machining. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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18 pages, 4849 KB

Open AccessArticle

Functionalized Carbon Material in Cement-Based Composites, a Multivariate Approach

by Carlo Amata, Simone Panizzi, Emanuele Farinini, Matteo Pavese and Luca Lavagna

J. Compos. Sci. 2026, 10(3), 141; https://doi.org/10.3390/jcs10030141 - 6 Mar 2026

Cited by 1 | Viewed by 590

Abstract

This study investigates the synergistic effect of functionalized carbon nanotubes (CNTs), graphene nanoplatelets (GNPs), and carbon fibers (CFs) on the mechanical performance of cement-based composites through a multivariate optimization approach. All carbon allotropes were covalently functionalized via acid treatment to enhance dispersion and [...] Read more.

This study investigates the synergistic effect of functionalized carbon nanotubes (CNTs), graphene nanoplatelets (GNPs), and carbon fibers (CFs) on the mechanical performance of cement-based composites through a multivariate optimization approach. All carbon allotropes were covalently functionalized via acid treatment to enhance dispersion and interfacial bonding with the cement matrix. A face-centered central composite design (FCCD) combined with response surface methodology (RSM) was employed to systematically evaluate the influence of the three reinforcements, each varied between 0.033 wt.% and 0.067 wt.%, with a total carbon content not exceeding 0.2 wt.% of cement. The statistical analysis revealed a negligible correlation between reinforcement content and flexural strength (explained variance ≈ 1%), whereas fracture energy and compressive strength showed stronger dependencies, with explained variances of 25% and 66%, respectively. The maximum experimental fracture energy reached 18.1 J, corresponding to an increase of nearly 800% compared to plain cement, obtained at the highest combined reinforcement content. Compressive strength improved up to 48 MPa (≈32% higher than the reference), with the model predicting potential enhancements up to 40% under optimized compositions. The regression analysis highlighted the dominant role of quadratic and interaction terms, indicating that mechanical performance is governed more by synergistic effects than by the linear contribution of individual components. These findings demonstrate that controlled co-dispersion of multiple functionalized carbon allotropes enables significant enhancement of cement mechanical properties at very low total carbon contents, providing a cost-effective strategy for the design of high-performance cementitious composites. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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18 pages, 4787 KB

Open AccessArticle

Fabrication of Phthalocyanine–Polymer Matrix Composites for Bio-Based Sustainable Devices

by Héctor Iván Sánchez Moore, María Elena Sánchez Vergara, Edgar Alvarez-Zauco and Yazmín Paola Aguirre Macías

J. Compos. Sci. 2026, 10(2), 60; https://doi.org/10.3390/jcs10020060 - 23 Jan 2026

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Abstract

This study presents the fabrication of composite photoelectrodes containing halogenated phthalocyanines (F₁₆CuPc and MnPcCl) embedded in polymeric matrices of PEDOT:PSS (poly(2,3-dihydrothieno-1,4-dioxin)-poly(styrenesulfonate)) and PLA (polylactic acid biopolymer). These composites were deposited on PET, palm leaf, and wheat bagasse recyclable substrates, and were [...] Read more.

This study presents the fabrication of composite photoelectrodes containing halogenated phthalocyanines (F₁₆CuPc and MnPcCl) embedded in polymeric matrices of PEDOT:PSS (poly(2,3-dihydrothieno-1,4-dioxin)-poly(styrenesulfonate)) and PLA (polylactic acid biopolymer). These composites were deposited on PET, palm leaf, and wheat bagasse recyclable substrates, and were morphologically characterized. The reflectance for F₁₆CuPc/PEDOT:PSS is less than 8.5%, and that for MnPcCl/PLA changes depending on the substrate, ranging between 10% and 40%. Additionally, in the case of F₁₆CuPc/PEDOT:PSS, the Kubelka–Munk band gap is 3.7 eV, and in the case of F₁₆CuPc/PEDOT:PSS, the band gap varied between 2.85 and 3.47 eV. The composites were evaluated as electrodes in bio-based sustainable devices, fabricated with commercially available paper towels used as an organic membrane separator. The palm-device showed the best performance throughout its charge and discharge cycle. The device improves its performance at high speeds and reaches its highest peak at 100 mV s⁻¹ with 3.14 × 10⁴ μA. On the other hand, the greatest thermal stability for the composites is for those deposited onto bagasse substrate, reaching up to 220 °C and 357 °C for F₁₆CuPc/PEDOT:PSS and MnPcCl/PLA, respectively. Also, these composites exhibit charge–discharge behavior when studied in bio-based sustainable devices and can be used as electrodes. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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15 pages, 3391 KB

Open AccessArticle

Influence of Timber-to-Concrete Connection Types on the Behaviour of Timber–Concrete Composite Structures

by Dmitrijs Serdjuks, Agris Rogainis, Elza Briuka, Janis Sliseris, Leonids Pakrastins and Vjaceslavs Lapkovskis

J. Compos. Sci. 2025, 9(11), 593; https://doi.org/10.3390/jcs9110593 - 2 Nov 2025

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Abstract

The current study investigates the influence of timber-to-concrete connection types on the behaviour of timber–concrete composite (TCC) structures employing metal web timber joists. Two groups of laboratory specimens were prepared, each comprising four samples with push-joisted beams joined by oriented strand board (OSB) [...] Read more.

The current study investigates the influence of timber-to-concrete connection types on the behaviour of timber–concrete composite (TCC) structures employing metal web timber joists. Two groups of laboratory specimens were prepared, each comprising four samples with push-joisted beams joined by oriented strand board (OSB) and cast with a concrete layer. One group utilised compliant timber-to-concrete connections via perforated steel tape angles, while the other employed rigid connections through epoxy adhesive and granite chips. The specimens, consisting of two 1390 mm long beams of grade PS10 timber, were tested under three-point bending. Experimental results and finite element analyses demonstrated that specimens with compliant connections exhibited 14–16% greater maximum vertical displacements but only a marginal 1.79% reduction in load-carrying capacity compared to those with rigid connections. Findings indicate that connection compliance markedly affects stiffness and deflection but has a minor impact on ultimate strength. These insights can guide optimisation of TCC members with metal web joists, balancing structural performance and design requirements in sustainable timber construction. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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33 pages, 5997 KB

Open AccessArticle

Crown-Tulip Trigger Mechanisms to Improve Crashworthiness Design of Composite Tubular Structures

by Rohin Padayachee and Hessam Ghasemnejad

J. Compos. Sci. 2025, 9(10), 514; https://doi.org/10.3390/jcs9100514 - 23 Sep 2025

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Abstract

Background: This article presents the design development of a new crown-tulip trigger mechanism to initiate progressive failure and reduce initial collapse load in comparison with the existing trigger designs of bevel and tulip in tubular composite structures. Objectives: Through experimental impact testing, comparisons [...] Read more.

Background: This article presents the design development of a new crown-tulip trigger mechanism to initiate progressive failure and reduce initial collapse load in comparison with the existing trigger designs of bevel and tulip in tubular composite structures. Objectives: Through experimental impact testing, comparisons are drawn to the existing designs, such as the 45° bevel and 4T90° tulip trigger mechanism. Methods: This experimental testing design phase demonstrated a significant improvement in the crush force efficiency of crown-tulip trigger mechanisms compared to the previously established Tulip trigger design (4T90°). The experimental results were utilised to develop equivalent numerical models in LS-DYNA. Results: The validated models were employed for further design development, studying the influence of increased bevel angles (30°, 45°, and 60°), tulip angles (90°, 100°, 120°, 140°, and 160°), crown notch depth, crown notch angle, and number of tulip tips/crown notches on the crashworthiness and force response. Conclusions: This culminated in the numerical design development of the 4T160°-40°-2 mm crown-tulip trigger, which achieved 20% higher specific energy absorption, a 22% increase in crush force efficiency, and a 36% higher mean force compared with the 4T90° Tulip-triggered specimen. The outcomes of this research will be implemented in automotive, aerospace, and defence sub-structures. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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14 pages, 4634 KB

Open AccessArticle

Functionally Graded WC-Reinforced Stainless-Steel Composites via Casting: Microstructure and Wear Performance

by Aida B. Moreira, Laura M. M. Ribeiro and Manuel F. Vieira

J. Compos. Sci. 2025, 9(9), 495; https://doi.org/10.3390/jcs9090495 - 12 Sep 2025

Cited by 1 | Viewed by 1321

Abstract

This study presents an effective route for producing functionally graded metal matrix composites with enhanced abrasion wear resistance by incorporating ex situ Fe–WC preforms into austenitic stainless-steel castings. The preforms, produced by cold-pressing mixed WC and Fe powders, were positioned in the desired [...] Read more.

This study presents an effective route for producing functionally graded metal matrix composites with enhanced abrasion wear resistance by incorporating ex situ Fe–WC preforms into austenitic stainless-steel castings. The preforms, produced by cold-pressing mixed WC and Fe powders, were positioned in the desired locations in sand molds and reacted in situ with the molten steel during casting. This process generated a metallurgically bonded reinforcement zone with a continuous microstructural and compositional gradient, characteristic of a Functionally Graded Material (FGM). Near the surface, the microstructure consisted of a martensitic matrix with WC particles and (W,Fe,Cr)₆C carbides, while towards the base metal, it transitioned to austenitic dendrites with an interdendritic network of Cr- and W-rich carbides, including (W,Fe,Cr)₆C, (Fe,Cr,W)₇C₃, and (Fe,Cr,W)₂₃C₆. Vickers hardness measurements revealed surface-adjacent values (969 ± 72 HV 30) approximately six times higher than those of the base alloy, and micro-abrasion tests demonstrated a 70% reduction in micro-abrasion wear rate in the reinforced zones. These findings show that WC dissolution during casting enables tailored hardness and abrasion wear performance, offering an accessible manufacturing solution for high-demand mechanical environments. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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13 pages, 3191 KB

Open AccessArticle

Thermal Stresses Vibration of Thick FGM Conical Shells by Using TSDT

by Chih-Chiang Hong

J. Compos. Sci. 2025, 9(9), 465; https://doi.org/10.3390/jcs9090465 - 1 Sep 2025

Cited by 2 | Viewed by 817

Abstract

The technical study of the presented manuscript is to investigate the thermal vibration of thick functionally graded material (FGM) conical shells with fully-homogeneous equations coupled in third-order shear-deformation theory (TSDT). The method in the generalized-differential quadrature (GDQ) approach is used to calculate the [...] Read more.

The technical study of the presented manuscript is to investigate the thermal vibration of thick functionally graded material (FGM) conical shells with fully-homogeneous equations coupled in third-order shear-deformation theory (TSDT). The method in the generalized-differential quadrature (GDQ) approach is used to calculate the dynamic numerical data of FGM conical shells subjected to thermal-vibration only. Some parametric effects of minor middle-surface radius, environment temperature, and FGM power-law index on thermal stress and displacement of thick FGM conical shells are investigated with the frequency approach of the fully homogeneous equation. The novelties and main contributions of the present paper are that the thermal vibration GDQ study is original in thick FGM conical shells and contains some contributions to science and physics, by using the higher-order analysis of the TSDT displacement model and GDQ numerical results to obtain more accurate data in the thermal analyses of displacements and stresses for the thick FGM conical shells. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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13 pages, 2785 KB

Open AccessArticle

Mesoporous Silica Encapsulation of Octyl Methoxycinnamate and Benzophenone-3: Structural Characterization, Enhanced UV Protection, and Reduced In Vitro Skin Penetration

by Chia-Ching Li, Su-Mei Huang, Yui Whei Chen-Yang and Jiunn-Jer Hwang

J. Compos. Sci. 2025, 9(9), 459; https://doi.org/10.3390/jcs9090459 - 1 Sep 2025

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Abstract

This study employed a sol–gel route to fabricate mesoporous silica (MS) carriers capable of simultaneously encapsulating two widely utilized UV absorbers—benzophenone-3 (BP-3) and octyl methoxycinnamate (OMC)—resulting in the composite sunscreen agent S4M1B1. Comprehensive characterization using FTIR, TGA, UV–vis spectroscopy, DSC, SEM, and standard [...] Read more.

This study employed a sol–gel route to fabricate mesoporous silica (MS) carriers capable of simultaneously encapsulating two widely utilized UV absorbers—benzophenone-3 (BP-3) and octyl methoxycinnamate (OMC)—resulting in the composite sunscreen agent S4M1B1. Comprehensive characterization using FTIR, TGA, UV–vis spectroscopy, DSC, SEM, and standard photoprotective indices (SPF and UVA-PF) confirmed the successful immobilization of both active ingredients within the MS porous structure, achieving a notably high loading of up to 72 wt%. Sunscreen formulations incorporating the encapsulated composite demonstrated superior photoprotective performance, exhibiting SPF and UVA-PF values approximately 40% higher than equivalent physical mixtures of the same actives. Additionally, the MS encapsulation significantly enhanced the photostability of BP-3 and OMC, effectively maintaining their UV-protective efficacy after prolonged simulated solar exposure. Franz glass diffusion cell assays further revealed that encapsulation markedly reduced the in vitro skin permeation of both BP-3 and OMC by over 55%, substantially diminishing transdermal absorption risks. The dual benefits of enhanced UV-protection efficiency and reduced dermal penetration underscore the composite’s potential as a safer and more effective active ingredient in cosmetic sunscreen products, with promising applications in advanced skincare and cosmeceutical formulations. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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15 pages, 2219 KB

Open AccessArticle

Feasibility Assessment of Hydrophobic Surface Creation via Digital Light Processing: Influence of Texture Geometry, Composition, and Resin Type

by Saher Mohammed Abo Shawish, Mohsen Barmouz and Bahman Azarhoushang

J. Compos. Sci. 2025, 9(8), 447; https://doi.org/10.3390/jcs9080447 - 19 Aug 2025

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Abstract

This study explores the fabrication of hydrophobic surfaces on polymer components via Digital Light Processing (DLP), with emphases on how texture geometry, feature dimensions, and resin type influence surface wettability. Square and cylindrical microtextures were fabricated and evaluated using static contact angle measurements. [...] Read more.

This study explores the fabrication of hydrophobic surfaces on polymer components via Digital Light Processing (DLP), with emphases on how texture geometry, feature dimensions, and resin type influence surface wettability. Square and cylindrical microtextures were fabricated and evaluated using static contact angle measurements. Square-shaped structures demonstrated enhanced hydrophobicity, with contact angles reaching 133.6°, compared to approximately 100° for cylindrical counterparts of identical dimensions. Increasing pillar height to 521 µm enhanced hydrophobicity by approximately 15%, while decreasing pillar spacing to 150 µm increased contact angles from 86.8° to 106°, highlighting the role of microstructure density. For square-shaped structures, the addition of a hydrophobic agent at 3 wt.% resulted in a contact angle of 123.4°, representing a 44% improvement over the untreated sample. These findings underscore the combined influence of resin chemistry, surface texture design, and dimensional parameters on wettability behavior. Although superhydrophobicity (contact angle > 150°) was not achieved, the study demonstrates notable advancements in optimizing hydrophobicity through DLP printing. Overall, the results support DLP as a scalable and cost-effective approach for engineering functional surfaces suited to self-cleaning, biomedical, and anti-fouling applications. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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11 pages, 3693 KB

Open AccessArticle

Construction of pH-Responsive Drug Carrier Based on Molecularly Imprinted Polymers for Controlled Capecitabine Release

by Zimeng Guo, Tianxiao He, Yuqi Lou, Guoxing Xu and Qiong Jia

J. Compos. Sci. 2025, 9(8), 421; https://doi.org/10.3390/jcs9080421 - 6 Aug 2025

Cited by 4 | Viewed by 1254

Abstract

In this study, a pH-responsive molecularly imprinted polymer (MIP) drug carrier was developed utilizing boric acid-functionalized mesoporous silica nanoparticles (MSNs) as the substrate. The carrier was engineered for controlled drug release, with capecitabine (CAPE) being selected as the template molecule due to its [...] Read more.

In this study, a pH-responsive molecularly imprinted polymer (MIP) drug carrier was developed utilizing boric acid-functionalized mesoporous silica nanoparticles (MSNs) as the substrate. The carrier was engineered for controlled drug release, with capecitabine (CAPE) being selected as the template molecule due to its structural characteristics and clinical relevance. In vitro drug release studies demonstrated the pH-responsive release behaviors of the fabricated carrier, highlighting its promising applicability in the controlled release of pharmaceutical compounds containing cis-diols, particularly for site-specific therapy where pH variations serve as physiological triggers. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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13 pages, 3880 KB

Open AccessArticle

Low-Velocity Impact Damage Behavior and Failure Mechanism of 2.5D SiC/SiC Composites

by Jianyong Tu, Xingmiao Duan, Xingang Luan, Dianwei He and Laifei Cheng

J. Compos. Sci. 2025, 9(8), 388; https://doi.org/10.3390/jcs9080388 - 22 Jul 2025

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Abstract

Continuous SiC fiber-reinforced SiC matrix composites (SiC/SiC), as structural heat protection integrated materials, are often used in parts for large-area heat protection and sharp leading edges, and there are a variety of low-velocity impact events in their service. In this paper, a drop [...] Read more.

Continuous SiC fiber-reinforced SiC matrix composites (SiC/SiC), as structural heat protection integrated materials, are often used in parts for large-area heat protection and sharp leading edges, and there are a variety of low-velocity impact events in their service. In this paper, a drop hammer impact test was conducted using narrow strip samples to simulate the low-velocity impact damage process of sharp-edged components. During the test, different impact energies and impact times were set to focus on investigating the low-velocity impact damage characteristics of 2.5D SiC/SiC composites. To further analyze the damage mechanism, computed tomography (CT) was used to observe the crack propagation paths and distribution states of the composites before and after impact, while scanning electron microscopy (SEM) was employed to characterize the differences in the micro-morphology of their fracture surfaces. The results show that the in-plane impact behavior of a 2.5D needled SiC/SiC composite strip samples differs from the conventional three-stage pattern. In addition to the three stages observed in the energy–time curve—namely in the quasi-linear elastic region, the severe load drop region, and the rebound stage after peak impact energy—a plateau stage appears when the impact energy is 1 J. During the impact process, interlayer load transfer is achieved through the connection of needled fibers, which continuously provide significant structural support, with obvious fiber pull-out and debonding phenomena. When the samples are subjected to two impacts, damage accumulation occurs inside the material. Under conditions with the same total energy, multiple impacts cause more severe damage to the material compared to a single impact. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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25 pages, 6538 KB

Open AccessArticle

Polymer–Filler Interactions in Graphite-Infused Polypropylene: Experimental Design, a Fundamental and Applied Study

by Rabindra Dharai, Yubaraj Chakraborty, Rabiranjan Murmu, Pragyan Senapati, Harekrushna Sutar and Debashis Roy

J. Compos. Sci. 2025, 9(7), 351; https://doi.org/10.3390/jcs9070351 - 7 Jul 2025

Cited by 5 | Viewed by 2895

Abstract

In this study, micrographite (μG)-reinforced polypropylene (PP) composites were fabricated using melt compounding, with μG contents varying from 3 to 15 wt%. The composites were evaluated for mechanical, electrical, and thermal performance, addressing a relatively underexplored area among carbon-based fillers. Tensile testing across [...] Read more.

In this study, micrographite (μG)-reinforced polypropylene (PP) composites were fabricated using melt compounding, with μG contents varying from 3 to 15 wt%. The composites were evaluated for mechanical, electrical, and thermal performance, addressing a relatively underexplored area among carbon-based fillers. Tensile testing across elongation speeds (10–50 mm/min) showed up to ~30% strength improvement at 6 wt% μG due to good dispersion and stress transfer, while ≥9 wt% led to agglomeration, reduced ductility, and increased melt resistance. SEM fractography confirmed matrix–filler debonding and brittle behavior at higher loadings, with ductility improving at higher elongation rates. A sharp drop in resistivity near 6 wt% indicated the formation of a conductive network, and thermal conductivity improved by nearly 80%. Taguchi optimization identified 12 wt% μG and 50 mm/min as optimal for tensile strength, with filler content having a stronger influence than testing speed. The novelty of this work lies in its integrated structure–property investigation across a broad μG range, offering a scalable, multifunctional PP composite system suitable for semi-structural, conductive, and thermal management applications. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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13 pages, 1877 KB

Open AccessArticle

Enhanced C₃H₆O and CO₂ Sensory Properties of Nickel Oxide-Functionalized/Carbon Nanotube Composite: A Comprehensive Theoretical Study

by Evgeniy S. Dryuchkov, Sergey V. Boroznin, Irina V. Zaporotskova, Natalia P. Boroznina, Govindhasamy Murugadoss and Shaik Gouse Peera

J. Compos. Sci. 2025, 9(6), 311; https://doi.org/10.3390/jcs9060311 - 19 Jun 2025

Viewed by 1342

Abstract

Carbon nanotubes (CNTs) functionalized with metal oxides exhibit synergistic properties that enhance their performance across various applications, particularly in electrochemistry. Recent advancements have highlighted the potential of CNT–metal oxide heterostructures, with a specific focus on their electrochemical properties, which are pivotal for applications [...] Read more.

Carbon nanotubes (CNTs) functionalized with metal oxides exhibit synergistic properties that enhance their performance across various applications, particularly in electrochemistry. Recent advancements have highlighted the potential of CNT–metal oxide heterostructures, with a specific focus on their electrochemical properties, which are pivotal for applications in sensors, supercapacitors, batteries, and catalytic systems. Among these, nickel oxide (NiO)-modified CNTs have garnered significant attention due to their cost-effectiveness, facile synthesis, and promising gas-sensing capabilities. This study employs quantum-chemical calculations within the framework of density functional theory (DFT) to elucidate the interaction mechanisms between CNTs and NiO. The results demonstrate that the adsorption process leads to the formation of stable CNT-NiO complexes, with detailed analysis of adsorption energies, equilibrium distances, and electronic structure modifications. The single-electron spectra and density of states (DOS) of the optimized complexes reveal significant alterations in the electronic properties, particularly the modulation of the energy gap induced by surface and edge functionalization. Furthermore, the interaction of CNT-NiO composites with acetone (C₃H₆O) and carbon dioxide (CO₂) is modeled, revealing a physisorption-dominated mechanism. The adsorption of these gases induces notable changes in the electronic properties and charge distribution within the system, underscoring the potential of CNT-NiO composites for gas-sensing applications. This investigation provides a foundational understanding of the role of metal oxide modifications in tailoring the sensory activity of CNTs toward trace amounts of diverse substances, including metal atoms, inorganic molecules, and organic compounds. The findings suggest that CNT-NiO systems can serve as highly sensitive and selective sensing elements, with potential applications in medical diagnostics and environmental monitoring, thereby advancing the development of next-generation sensor technologies. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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18 pages, 3522 KB

Open AccessArticle

Modeling the Manufacturing Process of Thin-Walled Composite Parts by Vacuum Infusion Using Controlled External Pressures

by Shun-Hsyung Chang, Igor Zhilyaev, Sergey Shevtsov and Natalie Snezhina

J. Compos. Sci. 2025, 9(6), 268; https://doi.org/10.3390/jcs9060268 - 28 May 2025

Cited by 3 | Viewed by 1620

Abstract

This study considered the molding process of a thin-walled composite structure, imported from a CAD model, with the requirements of the uniformity of the mechanical properties and wall thickness. The developed numerical process model, which includes both the vacuum infusion and post-infusion stages, [...] Read more.

This study considered the molding process of a thin-walled composite structure, imported from a CAD model, with the requirements of the uniformity of the mechanical properties and wall thickness. The developed numerical process model, which includes both the vacuum infusion and post-infusion stages, takes into account the entire complex of processes evolving in a spreading liquid resin, as well as in a porous preform. The controlled process parameters are the temperature and the magnitudes and times of pressure applied to the open surface of the preform and in the vacuum line. The low thickness of the preform walls and the fixation of its inner surface on an open composite mold allow the mechanical part of the problem to be simplified, thus considering only the preform deformation normal to the opened surface, which provides a significant reduction in the simulation time and the ability to effectively optimize the process. The examples associated with the three control modes considered here show that the presented model’s description of the process, with the toolkit for selecting the controlled parameters, eliminates critical situations such as the formation of dry spots, the premature blocking of the vacuum port, or the uneven distribution and insufficient amount of the reinforcing component in the preform. This is due to the appropriately described process dynamics up to the moment of a sharp increase in viscosity and the hardening of the resin. This approach additionally provides access to process parameters that would be inaccessible in a full-scale experiment. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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15 pages, 2010 KB

Open AccessArticle

Study of the Physico-Chemical Properties of Injection-Molded Polypropylene Reinforced with Spent Coffee Grounds

by Mostapha Karaoui, Vincenzo Fiore, Zineb Elhamri, Samira Kharchouf, Mohammed Alami and Mohammed Assouag

J. Compos. Sci. 2025, 9(6), 257; https://doi.org/10.3390/jcs9060257 - 23 May 2025

Cited by 4 | Viewed by 2105

Abstract

This study investigates the use of spent coffee grounds (SCGs) as a biofiller in polypropylene (PP) composites, produced via injection molding, as a sustainable alternative to conventional materials. The effects of varying SCG content (1%, 5%, 7%, and 10% w/w) [...] Read more.

This study investigates the use of spent coffee grounds (SCGs) as a biofiller in polypropylene (PP) composites, produced via injection molding, as a sustainable alternative to conventional materials. The effects of varying SCG content (1%, 5%, 7%, and 10% w/w) on the flow behavior, thermal stability, mechanical properties, structural integrity, and morphology of the composites were systematically evaluated. Analyses using optical microscopy (OM) and Fourier-transform infrared spectroscopy (FT-IR) revealed significant changes in morphology and structure with SCG addition. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) showed improved thermal stability with increasing SCG content. Mechanical characterization indicated an enhanced hardness and tensile modulus, a near-constant tensile strength, and a decreased toughness and elongation at break with increasing SCG content. Melt flow index (MFI) measurements confirmed suitable processing characteristics. Overall, the PP/SCG composites demonstrate promising performance regarding sustainability and mechanical properties, suggesting their viability as an alternative to traditional materials. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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13 pages, 628 KB

Open AccessArticle

Injection-Molded Jute Filler Composites Evaluated Against Stringent Requirements

by Savana Othman Mohammed, Alwand Osman, Faranak Bazooyar, Else-Marie Malmek, Thomas Koch Ecoist, Nowshir Fatima, Mikael Skrifvars and Pooria Khalili

J. Compos. Sci. 2025, 9(6), 255; https://doi.org/10.3390/jcs9060255 - 23 May 2025

Cited by 1 | Viewed by 1632

Abstract

This study investigates the mechanical, thermal, and liquid resistance properties of injection-molded composites made from recycled polypropylene (rPP) reinforced with jute fillers. Maleic anhydride-grafted polypropylene (MAPP) was used as a compatibilizer to enhance filler–matrix interfacial bonding. Tensile, flexural, and Charpy impact tests, along [...] Read more.

This study investigates the mechanical, thermal, and liquid resistance properties of injection-molded composites made from recycled polypropylene (rPP) reinforced with jute fillers. Maleic anhydride-grafted polypropylene (MAPP) was used as a compatibilizer to enhance filler–matrix interfacial bonding. Tensile, flexural, and Charpy impact tests, along with density measurements, heat deflection temperature (HDT) tests, and resistance to short-duration liquid contact, were conducted to evaluate the composites. Results indicate that the addition of jute powder significantly improved stiffness (Young’s modulus increased up to 233%) and thermal stability (HDT increased to 147 °C for rPP/J40/MAPP) while reducing impact toughness due to the brittle nature of jute fillers. MAPP-modified composites demonstrated enhanced tensile and flexural strength compared to unmodified counterparts, with tensile strength improving by approximately 23% for rPP/J30/MAPP. The composites exhibited excellent liquid resistance, showing no visible changes after exposure to various automotive and household fluids. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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Review

Jump to: Research

23 pages, 8320 KB

Open AccessReview

Investigation of Phosphorus Dendrons and Their Properties for the Functionalization of Materials

by Cédric-Olivier Turrin, Valérie Maraval and Anne-Marie Caminade

J. Compos. Sci. 2025, 9(8), 382; https://doi.org/10.3390/jcs9080382 - 22 Jul 2025

Cited by 2 | Viewed by 1663

Abstract

Dendrons, also named dendritic wedges, are a kind of molecular tree, having a branched structure linked to a functional core. The functional core can be used in particular for the functionalization of materials. Different types of dendrons are known, synthesized either by a [...] Read more.

Dendrons, also named dendritic wedges, are a kind of molecular tree, having a branched structure linked to a functional core. The functional core can be used in particular for the functionalization of materials. Different types of dendrons are known, synthesized either by a convergent process, from the external part to the core, or by a divergent process from the core to the external part. Polyphosphorhydrazone (PPH) dendrons are always synthesized by a divergent process, which enables a fine-tuning of both the core function and the external functions. They have been used for the functionalization of diverse materials such as silica, titanium dioxide, gold, graphene oxide, or different types of nanoparticles. Nanocomposites based on materials functionalized with PPH dendrons have been used in diverse fields such as catalysts, chemical sensors, for trapping pollutants, to support cell cultures, and against cancers, as will be emphasized in this review. Full article

(This article belongs to the Special Issue Functional Composites: Fabrication, Properties and Applications)

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