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Search Results (1,012)

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Keywords = chemical electron transfer

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13 pages, 1717 KiB  
Article
High-Performance Hydrogen Gas Sensor Based on Pd-Doped MoS2/Si Heterojunction
by Enyu Ma, Zihao Xu, Ankai Sun, Shuo Yang and Jianyu Jiang
Sensors 2025, 25(15), 4753; https://doi.org/10.3390/s25154753 - 1 Aug 2025
Viewed by 186
Abstract
High-performance hydrogen gas sensors have gained considerable interest for their crucial function in reducing H2 explosion risk. Although MoS2 has good potential for chemical sensing, its application in hydrogen detection at room temperature is limited by slow response and incomplete recovery. [...] Read more.
High-performance hydrogen gas sensors have gained considerable interest for their crucial function in reducing H2 explosion risk. Although MoS2 has good potential for chemical sensing, its application in hydrogen detection at room temperature is limited by slow response and incomplete recovery. In this work, Pd-doped MoS2 thin films are deposited on a Si substrate, forming Pd-doped MoS2/Si heterojunctions via magnetron co-sputtering. The incorporation of Pd nanoparticles significantly enhances the catalytic activity for hydrogen adsorption and facilitates more efficient electron transfer. Owing to its distinct structural characteristics and sharp interface properties, the fabricated Pd-doped MoS2/Si heterojunction device exhibits excellent H2 sensing performance under room temperature conditions. The gas sensor device achieves an impressive sensing response of ~6.4 × 103% under 10,000 ppm H2 concentration, representing a 110% improvement compared to pristine MoS2. Furthermore, the fabricated heterojunction device demonstrates rapid response and recovery times (24.6/12.2 s), excellent repeatability, strong humidity resistance, and a ppb-level detection limit. These results demonstrate the promising application prospects of Pd-doped MoS2/Si heterojunctions in the development of advanced gas sensing devices. Full article
(This article belongs to the Special Issue 2D Materials for Advanced Sensing Technology)
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63 pages, 4971 KiB  
Review
Electrochemical Nanosensors Applied to the Assay of Some Food Components—A Review
by Aurelia Magdalena Pisoschi, Florin Iordache, Loredana Stanca, Petronela Mihaela Rosu, Nicoleta Ciocirlie, Ovidiu Ionut Geicu, Liviu Bilteanu and Andreea Iren Serban
Chemosensors 2025, 13(8), 272; https://doi.org/10.3390/chemosensors13080272 - 23 Jul 2025
Viewed by 573
Abstract
Nanomaterials’ special features enable their extensive application in chemical and biochemical nanosensors for food assays; food packaging; environmental, medicinal, and pharmaceutical applications; and photoelectronics. The analytical strategies based on novel nanomaterials have proved their pivotal role and increasing interest in the assay of [...] Read more.
Nanomaterials’ special features enable their extensive application in chemical and biochemical nanosensors for food assays; food packaging; environmental, medicinal, and pharmaceutical applications; and photoelectronics. The analytical strategies based on novel nanomaterials have proved their pivotal role and increasing interest in the assay of key food components. The choice of transducer is pivotal for promoting the performance of electrochemical sensors. Electrochemical nano-transducers provide a large active surface area, enabling improved sensitivity, specificity, fast assay, precision, accuracy, and reproducibility, over the analytical range of interest, when compared to traditional sensors. Synthetic routes encompass physical techniques in general based on top–down approaches, chemical methods mainly relying on bottom–up approaches, or green technologies. Hybrid techniques such as electrochemical pathways or photochemical reduction are also applied. Electrochemical nanocomposite sensors relying on conducting polymers are amenable to performance improvement, achieved by integrating redox mediators, conductive hydrogels, and molecular imprinting polymers. Carbon-based or metal-based nanoparticles are used in combination with ionic liquids, enhancing conductivity and electron transfer. The composites may be prepared using a plethora of combinations of carbon-based, metal-based, or organic-based nanomaterials, promoting a high electrocatalytic response, and can accommodate biorecognition elements for increased specificity. Nanomaterials can function as pivotal components in electrochemical (bio)sensors applied to food assays, aiming at the analysis of bioactives, nutrients, food additives, and contaminants. Given the broad range of transducer types, detection modes, and targeted analytes, it is important to discuss the analytical performance and applicability of such nanosensors. Full article
(This article belongs to the Special Issue Electrochemical Sensor for Food Analysis)
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35 pages, 1398 KiB  
Review
Process Intensification of Anaerobic Digestion of Biowastes for Improved Biomethane Production: A Review
by Sahil Sahil and Sonil Nanda
Sustainability 2025, 17(14), 6553; https://doi.org/10.3390/su17146553 - 17 Jul 2025
Viewed by 531
Abstract
Anaerobic digestion is a widely adopted technique for biologically converting organic biomass to biogas under oxygen-limited conditions. However, several factors, including the properties of biomass and its complex structure, make it challenging to degrade biomass effectively, thereby reducing the overall efficiency of anaerobic [...] Read more.
Anaerobic digestion is a widely adopted technique for biologically converting organic biomass to biogas under oxygen-limited conditions. However, several factors, including the properties of biomass and its complex structure, make it challenging to degrade biomass effectively, thereby reducing the overall efficiency of anaerobic digestion. This review examines the recent advancements in commonly used pretreatment techniques, including physical, chemical, and biological methods, and their impact on the biodegradability of organic waste for anaerobic digestion. Furthermore, this review explores integrated approaches that utilize two or more pretreatments to achieve synergistic effects on biomass degradation. This article highlights various additives and their physicochemical characteristics, which play a vital role in stimulating direct interspecies electron transfer to enhance biomethanation reaction rates. Direct electron interspecies transfer is a crucial aspect that accelerates electron transfer among syntrophic microbial communities during anaerobic digestion, thereby enhancing biomethane formation. Finally, this article reviews potential approaches, identifies research gaps, and outlines future directions to strengthen and develop advanced pretreatment strategies and novel additives to improve anaerobic digestion processes for generating high-value biogas. Full article
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17 pages, 4068 KiB  
Article
Mechanical Properties and Tribological Behavior of Al2O3–ZrO2 Ceramic Composites Reinforced with Carbides
by Jana Andrejovská, Dávid Medveď, Marek Vojtko, Richard Sedlák, Piotr Klimczyk and Ján Dusza
Lubricants 2025, 13(7), 310; https://doi.org/10.3390/lubricants13070310 - 17 Jul 2025
Viewed by 355
Abstract
To elucidate the key material parameters governing the tribological performance of ceramic composites under dry sliding against steel, this study presents a comprehensive comparative assessment of the microstructural characteristics, mechanical performance, and tribological behavior of two alumina–zirconia (Al2O3–ZrO2 [...] Read more.
To elucidate the key material parameters governing the tribological performance of ceramic composites under dry sliding against steel, this study presents a comprehensive comparative assessment of the microstructural characteristics, mechanical performance, and tribological behavior of two alumina–zirconia (Al2O3–ZrO2) ceramic composites, each reinforced with a 42 vol.% carbide phase: zirconium carbide (ZrC) and tungsten carbide (WC). Specifically, tungsten carbide (WC) was selected for its exceptional bulk mechanical properties, while zirconium carbide (ZrC) was chosen to contrast its potentially different interfacial reactivity against a steel counterface. ZrC and WC were selected as reinforcing phases due to their high hardness and distinct chemical and interfacial properties, which were expected to critically affect the wear and friction behavior of the composites under demanding conditions. Specimens were consolidated via spark plasma sintering (SPS). The investigation encompassed macro- and nanoscale hardness measurements (Vickers hardness HV1, HV10; nanoindentation hardness H), elastic modulus (E), fracture toughness (KIC), coefficient of friction (COF), and specific wear rate (Ws) under unlubricated reciprocating sliding against 100Cr6 steel at normal loads of 10 N and 25 N. The Al2O3–ZrO2–WC composite exhibited an ultrafine-grained microstructure and markedly enhanced mechanical properties (HV10 ≈ 20.9 GPa; H ≈ 33.6 GPa; KIC ≈ 4.7 MPa·m½) relative to the coarse-grained Al2O3–ZrO2–ZrC counterpart (HV10 ≈ 16.6 GPa; H ≈ 27.0 GPa; KIC ≈ 3.2 MPa·m½). Paradoxically, the ZrC-reinforced composite demonstrated superior tribological performance, with a low and load-independent specific wear rate (Ws ≈ 1.2 × 10−9 mm3/Nm) and a stable steady-state COF of approximately 0.46. Conversely, the WC-reinforced system exhibited significantly elevated wear volumes—particularly under the 25 N regime—and a higher, more fluctuating COF. Scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM–EDX) of the wear tracks revealed the formation of a continuous, iron-enriched tribofilm on the ZrC composite, derived from counterface material transfer, whereas the WC composite surface displayed only sparse tribofilm development. These findings underscore that, in steel-paired tribological applications of Al2O3–ZrO2–based composites, the efficacy of interfacial tribolayer generation can supersede intrinsic bulk mechanical attributes as the dominant factor governing wear resistance. Full article
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31 pages, 7931 KiB  
Article
Enhanced Pool Boiling via Binder-Jetting 3D-Printed Porous Copper Structures: CHF and HTC Investigation
by Lilian Aketch Okwiri, Takeshi Mochizuki, Kairi Koito, Noriaki Fukui and Koji Enoki
Appl. Sci. 2025, 15(14), 7892; https://doi.org/10.3390/app15147892 - 15 Jul 2025
Viewed by 264
Abstract
The escalating heat flux densities in high-performance electronics necessitate superior thermal management. This study enhanced pool-boiling heat transfer, a method offering high heat removal capacity, by leveraging Binder Jetting 3D Printing (BJ3DP) to create complex porous copper structures without the need for chemical [...] Read more.
The escalating heat flux densities in high-performance electronics necessitate superior thermal management. This study enhanced pool-boiling heat transfer, a method offering high heat removal capacity, by leveraging Binder Jetting 3D Printing (BJ3DP) to create complex porous copper structures without the need for chemical treatments. This approach enables a reliable utilization of phenomena like capillarity for improved performance. Three types of porous copper structures, namely Large Lattice, Small Lattice, and Staggered, were fabricated on pure copper substrates and tested via pool boiling of de-ionized and de-gassed water at atmospheric pressure. Compared to a plain polished copper surface, which exhibited a critical heat flux (CHF) of 782 kW/m2 at a wall superheat of 18 K, the 3D-printed porous copper surfaces showed significantly improved heat transfer performance. The Staggered surface achieved a conventional CHF of 2342.4 kW/m2 (a 199.7% enhancement) at a wall superheat of 24.6 K. Notably, the Large Lattice and Small Lattice structures demonstrated exceptionally stable boiling without reaching the typical catastrophic CHF within the experimental parameters. These geometries continued to increase in heat flux, reaching maximums of 2397.7 kW/m2 (206.8% higher at a wall superheat of 55.6 K) and 2577.2 kW/m2 (229.7% higher at a wall superheat of 39.5 K), respectively. Subsequently, a gradual decline in heat flux was observed with an increasing wall superheat, demonstrating an outstanding resistance to the boiling crisis. These improvements are attributed to the formation of distinct vapor–liquid pathways within the porous structures, which promotes the efficient rewetting of the heated surface through capillary action. This mechanism supports a highly efficient, self-sustaining boiling configuration, emphasizing the superior rewetting and vapor management capabilities of these 3D-printed porous structures, which extend the boundaries of sustained high heat flux performance. The porous surfaces also demonstrated a higher heat transfer coefficient (HTC), particularly at lower heat fluxes (≤750 kW/m2). High-speed digital camera visualization provided further insight into the boiling phenomenon. Overall, the findings demonstrate that these BJ3DP structured surfaces produce optimized vapor–liquid pathways and capillary-enhanced rewetting, offering significantly superior heat transfer performance compared to smooth surfaces and highlighting their potential for advanced thermal management. Full article
(This article belongs to the Section Energy Science and Technology)
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15 pages, 2184 KiB  
Article
First-Principles Study on Interfacial Triboelectrification Between Water and Halogen-Functionalized Polymer Surfaces
by Taili Tian, Bo Zhao, Yimin Wang, Shifan Huang, Xiangcheng Ju and Yuyan Fan
Lubricants 2025, 13(7), 303; https://doi.org/10.3390/lubricants13070303 - 11 Jul 2025
Viewed by 385
Abstract
Contact electrification (CE), or triboelectrification, is an electron transfer phenomenon occurring at the interface between dissimilar materials due to differences in polarity, holding significant research value in tribology. The microscopic mechanisms of CE remain unclear due to the complex coupling of multiple physical [...] Read more.
Contact electrification (CE), or triboelectrification, is an electron transfer phenomenon occurring at the interface between dissimilar materials due to differences in polarity, holding significant research value in tribology. The microscopic mechanisms of CE remain unclear due to the complex coupling of multiple physical processes. Recently, with the rise of triboelectric nanogenerator (TENG) technology, solid–liquid contact electrification has demonstrated vast application potential, sparking considerable interest in its underlying mechanisms. Emerging experimental evidence indicates that at water–polymer CE interfaces, the process involves not only traditional ion adsorption but also electron transfer. Halogen-containing functional groups in the solid material significantly enhance the CE effect. To elucidate the microscopic mechanism of water–polymer CE, this study employed first-principles density functional theory (DFT) calculations, simulating the interfacial electrification process using unit cell models of water contacting polymers. We systematically and quantitatively investigated the charge transfer characteristics at interfaces between water and three representative polymers with similar backbones but different halogen-functionalized (F, Cl) side chains: fluorinated ethylene propylene (FEP), polyvinyl chloride (PVC), and polytetrafluoroethylene (PTFE), focusing on evaluating halogen’s influence and mechanism on interfacial electron transfer. The results reveal that electron transfer is primarily governed by the energy levels of the polymer’s lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO). Halogen functional groups modulate the material’s electron-donating/accepting capabilities by altering these frontier orbital energy levels. Consequently, we propose that the critical strategy for polymer chemical modification resides in lowering the LUMO energy level of electron-accepting materials. This study provides a novel theoretical insight into the charge transfer mechanism at solid–liquid interfaces, offers guidance for designing high-performance TENG interfacial materials, and holds significant importance for both the fundamental theory and the development of advanced energy devices. Full article
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14 pages, 4370 KiB  
Article
Fabrication of Zwitterionized Nanocellulose/Polyvinyl Alcohol Composite Hydrogels Derived from Camellia Oleifera Shells for High-Performance Flexible Sensing
by Jingnan Li, Weikang Peng, Zhendong Lei, Jialin Jian, Jie Cong, Chenyang Zhao, Yuming Wu, Jiaqi Su and Shuaiyuan Han
Polymers 2025, 17(14), 1901; https://doi.org/10.3390/polym17141901 - 9 Jul 2025
Viewed by 404
Abstract
To address the growing demand for environmentally friendly flexible sensors, here, a composite hydrogel of nanocellulose (NC) and polyvinyl alcohol (PVA) was designed and fabricated using Camellia oleifera shells as a sustainable alternative to petroleum-based raw materials. Firstly, NC was extracted from Camellia [...] Read more.
To address the growing demand for environmentally friendly flexible sensors, here, a composite hydrogel of nanocellulose (NC) and polyvinyl alcohol (PVA) was designed and fabricated using Camellia oleifera shells as a sustainable alternative to petroleum-based raw materials. Firstly, NC was extracted from Camellia oleifera shells and modified with 2-chloropropyl chloride to obtain a nanocellulose-based initiator (Init-NC) for atomic transfer radical polymerization (ATRP). Subsequently, sulfonyl betaine methacrylate (SBMA) was polymerized by Init-NC initiating to yield zwitterion-functionalized nanocellulose (NC-PSBMA). Finally, the NC-PSBMA/PVA hydrogel was fabricated by blending NC-PSBMA with PVA. A Fourier transform infrared spectrometer (FT-IR), proton nuclear magnetic resonance spectrometer (1H-NMR), X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), universal mechanical testing machine, and digital source-meter were used to characterize the chemical structure, surface microstructure, and sensing performance. The results indicated that: (1) FT-IR and 1H NMR confirmed the successful synthesis of NC-PSBMA; (2) SEM, TEM, and alternating current (AC) impedance spectroscopy verified that the NC-PSBMA/PVA hydrogel exhibits a uniform porous structure (pore diameter was 1.1737 μm), resulting in significantly better porosity (15.75%) and ionic conductivity (2.652 S·m−1) compared to the pure PVA hydrogel; and (3) mechanical testing combined with source meter testing showed that the tensile strength of the composite hydrogel increased by 6.4 times compared to the pure PVA hydrogel; meanwhile, it showed a high sensitivity (GF = 1.40, strain range 0–5%; GF = 1.67, strain range 5–20%) and rapid response time (<0.05 s). This study presents a novel approach to developing bio-based, flexible sensing materials. Full article
(This article belongs to the Special Issue Polysaccharide-Based Materials: Developments and Properties)
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23 pages, 2710 KiB  
Review
Recent Advances in Chemical Vapor Deposition of Hexagonal Boron Nitride on Insulating Substrates
by Hua Xu, Kai Li, Zuoquan Tan, Jiaqi Jia, Le Wang and Shanshan Chen
Nanomaterials 2025, 15(14), 1059; https://doi.org/10.3390/nano15141059 - 8 Jul 2025
Viewed by 612
Abstract
Direct chemical vapor deposition (CVD) growth of hexagonal boron nitride (h-BN) on insulating substrates offers a promising pathway to circumvent transfer-induced defects and enhance device integration. This comprehensive review systematically evaluates recent advances in CVD techniques for h-BN synthesis on insulating substrates, including [...] Read more.
Direct chemical vapor deposition (CVD) growth of hexagonal boron nitride (h-BN) on insulating substrates offers a promising pathway to circumvent transfer-induced defects and enhance device integration. This comprehensive review systematically evaluates recent advances in CVD techniques for h-BN synthesis on insulating substrates, including metal–organic CVD (MOCVD), low-pressure CVD (LPCVD), atmospheric-pressure CVD (APCVD), and plasma-enhanced CVD (PECVD). Key challenges, including precursor selection, high-temperature processing, achieving single-crystalline films, and maintaining phase purity, are critically analyzed. Special emphasis is placed on comparative performance metrics across different growth methodologies. Furthermore, crucial research directions for future development in this field are outlined. This review aims to serve as a reference for advancing h-BN synthesis toward practical applications in next-generation electronic and optoelectronic devices. Full article
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27 pages, 690 KiB  
Review
Phthalocyanine-Modified Electrodes Used in the Electroanalysis of Monoamine Neurotransmitters
by Anton Alexandru Ciucu, Mihaela Buleandră, Dana Elena Popa and Dragoș Cristian Ștefănescu
Chemosensors 2025, 13(7), 243; https://doi.org/10.3390/chemosensors13070243 - 7 Jul 2025
Viewed by 532
Abstract
Metallo-phthalocyanines (MPcs) are versatile materials with applications in electroanalysis because of their superior catalytic properties. This review presents the electrochemical methods based on MPc-modified electrodes and reports some of their remarkable properties and applications in the electroanalysis of monoamine neurotransmitters and biomolecules that [...] Read more.
Metallo-phthalocyanines (MPcs) are versatile materials with applications in electroanalysis because of their superior catalytic properties. This review presents the electrochemical methods based on MPc-modified electrodes and reports some of their remarkable properties and applications in the electroanalysis of monoamine neurotransmitters and biomolecules that play a crucial role in vital functions of the human body. The development of electrocatalytic chemically modified electrodes is based on their ability to provide a selective and rapid response toward a specific analyte in complex media without the need for sample pretreatment. The explanation of several phenomena occurring at the MPc-modified electrode surface (e.g., MPc-mediated electrocatalysis), the advantages of promoting different electron transfer reactions, and the detection mechanism are also presented. The types of MPcs and different materials, such as carbon nanotubes and graphene, used as substrates for modified working electrodes are discussed. Modifying the properties of MPcs through various interactions, or combining MPcs with carbonaceous materials, creates a synergistic effect. Such hybrid materials present both extraordinary catalytic and increased conductivity properties. We conducted a compilation study based on recent works to demonstrate the efficacy of the developed sensors and methods in sensing monoamine neurotransmitters. We emphasize the analyte type, optimized experimental parameters, working range, limits of detection and quantification, and application to real samples. MPc–carbon hybrids have led to the development of sensors with superior sensitivity and improved selectivity, enabling the detection of analytes at lower concentrations. We highlight the main advantages and drawbacks of the discussed methods. This review summarizes recent progress in the development and application of metallo-phthalocyanine-modified electrodes in the electroanalysis of monoamine neurotransmitters. Some possible future trends are highlighted. Full article
(This article belongs to the Special Issue New Electrodes Materials for Electroanalytical Applications)
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15 pages, 3934 KiB  
Article
Methyl Viologen@β-Zeolite with Absorption/Fluorescence Dual-Mode and Photo/Chemical Synergistic Stimuli-Responsive Chromism
by Jingxuan Han, Shaoning Li, Huihui Li, Yu Li, Jiaqiao Qin, Fuxiang Wang and Qinhe Pan
Molecules 2025, 30(13), 2872; https://doi.org/10.3390/molecules30132872 - 6 Jul 2025
Viewed by 348
Abstract
In this work, methyl viologen (MV) was adsorbed into the nanopores of Si/Al H-β-zeolite via cation exchange. The resulting MV@β-zeolite possessed absorption/fluorescence dual-mode and photo/chemical synergistic stimuli-responsive chromism. Owing to the acidic surrounding provided by β-zeolite, the chromism of MV required the synergistic [...] Read more.
In this work, methyl viologen (MV) was adsorbed into the nanopores of Si/Al H-β-zeolite via cation exchange. The resulting MV@β-zeolite possessed absorption/fluorescence dual-mode and photo/chemical synergistic stimuli-responsive chromism. Owing to the acidic surrounding provided by β-zeolite, the chromism of MV required the synergistic stimuli of UV irradiation and a chemical reductant (such as Na2SO3). UV irradiation induced single electron transfer from the chemical reductant to MV@β-zeolite, leading to enhanced absorption at 610 nm together with a daylight color change from pale yellow to blue. Meanwhile, the nanopores of β-zeolite inhibited aggregation-caused quenching of MV, enabling MV to emit cyan fluorescence at 500 nm. After the single electron transfer of the chemical reductant under UV irradiation, the cyan fluorescence of MV@β-zeolite was quenched. Additionally, MV@β-zeolite exhibited a short stimulus response time (250 s) and good color change reversibility. These findings in this work provide valuable insights into the design of multi-mode and synergistic stimuli-responsive viologen-based chromic materials, particularly for applications in secure high-throughput information storage, high-level anti-counterfeiting and multi-target multi-mode sensing. Full article
(This article belongs to the Special Issue Novel Organic-Inorganic Hybrid Porous Photochromic Materials)
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15 pages, 1555 KiB  
Article
Synthesis and Characterization of Temperature- and pH-Responsive PIA-b-PNIPAM@Fe3O4 Nanocomposites
by Swati Kumari, Cayla Cook, Fatema Tarannum, Erick S. Vasquez-Guardado, Olufemi Ogunjimi and Keisha B. Walters
Nanomaterials 2025, 15(13), 1041; https://doi.org/10.3390/nano15131041 - 4 Jul 2025
Viewed by 440
Abstract
Stimuli-responsive polymers (SRPs) have garnered significant attention in recent decades due to their immense potential in biomedical and environmental applications. When these SRPs are grafted onto magnetic nanoparticles, they form multifunctional nanocomposites capable of various complex applications, such as targeted drug delivery, advanced [...] Read more.
Stimuli-responsive polymers (SRPs) have garnered significant attention in recent decades due to their immense potential in biomedical and environmental applications. When these SRPs are grafted onto magnetic nanoparticles, they form multifunctional nanocomposites capable of various complex applications, such as targeted drug delivery, advanced separations, and magnetic resonance imaging. In this study, we employed a one-step hydrothermal method using 3-aminopropyltrimethoxysilane (APTES) to synthesize APTES-modified Fe3O4 nanoparticles (APTES@Fe3O4) featuring reactive terminal amine groups. Subsequently, via two consecutive surface-initiated atom transfer radical polymerizations (SI-ATRP), pH- and temperature-responsive polymer blocks were grown from the Fe3O4 surface, resulting in the formation of poly(itaconic acid)-block-poly(N-isopropyl acrylamide) (PIA-b-PNIPAM)-grafted nanomagnetic particles (PIA-b-PNIPAM@Fe3O4). To confirm the chemical composition and assess how the particle morphology and size distribution of these SRP-based nanocomposites change in response to ambient pH and temperature stimuli, various characterization techniques were employed, including transmission electron microscopy, differential light scattering, and Fourier transform infrared spectroscopy. The results indicated successful synthesis, with PIA-b-PNIPAM@Fe3O4 demonstrating sensitivity to both temperature and pH. Full article
(This article belongs to the Section Nanocomposite Materials)
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12 pages, 3225 KiB  
Article
Multiple Slater Determinants and Strong Spin-Fluctuations as Key Ingredients of the Electronic Structure of Electron- and Hole-Doped Pb10−xCux(PO4)6O
by Dimitar Pashov, Swagata Acharya, Stephan Lany, Daniel S. Dessau and Mark van Schilfgaarde
Crystals 2025, 15(7), 621; https://doi.org/10.3390/cryst15070621 - 2 Jul 2025
Viewed by 1047
Abstract
LK-99, with chemical formula Pb10−xCux(PO4)6O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on [...] Read more.
LK-99, with chemical formula Pb10−xCux(PO4)6O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on density-functional theory) have demonstrated that the system possesses some unusual characteristics in the electronic structure, in particular flat bands. We have established previously that within DFT, the system is insulating with many characteristics resembling the classic cuprates, provided the structure is not constrained to the P3(143) symmetry nominally assigned to it. Here we describe the basic electronic structure of LK-99 within self-consistent many-body perturbative approach, quasiparticle self-consistent GW (QSGW) approximation and their diagrammatic extensions. QSGW predicts that pristine LK-99 is indeed a Mott/charge transfer insulator, with a bandgap gap in excess of 3 eV, whether or not constrained to the P3(143) symmetry. When Pb9Cu(PO4)6O is hole-doped, the valence bands modify only slightly, and a hole pocket appears. However, two solutions emerge: a high-moment solution with the Cu local moment aligned parallel to neighbors, and a low-moment solution with Cu aligned antiparallel to its environment. In the electron-doped case the conduction band structure changes significantly: states of mostly Pb character merge with the formerly dispersionless Cu d state, and high-spin and low spin solutions once again appear. Thus we conclude that with suitable doping, the ground state of the system is not adequately described by a band picture, and that strong correlations are likely. Irrespective of whether this system class hosts superconductivity or not, the transition of Pb10(PO4)6O from being a band insulator to Pb9Cu(PO4)6O, a Mott insulator, and multi-determinantal nature of doped Mott physics make this an extremely interesting case-study for strongly correlated many-body physics. Full article
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19 pages, 3483 KiB  
Article
Preparation of CF-NiO-PANI Electrodes and Study on the Efficiency of MFC in Recovering Potato Starch Wastewater
by Yiwei Han, Jingyuan Wang, Liming Jiang, Jiuming Lei, Wenjing Li, Tianyi Yang, Zhijie Wang, Jinlong Zuo and Yuyang Wang
Coatings 2025, 15(7), 776; https://doi.org/10.3390/coatings15070776 - 30 Jun 2025
Viewed by 263
Abstract
Microbial Fuel Cell (MFC) is a novel bioelectrochemical system that catalyzes the oxidation of chemical energy in organic waste and converts it directly into electrical energy through the attachment and growth of electroactive microorganisms on the electrode surface. This technology realizes the synergistic [...] Read more.
Microbial Fuel Cell (MFC) is a novel bioelectrochemical system that catalyzes the oxidation of chemical energy in organic waste and converts it directly into electrical energy through the attachment and growth of electroactive microorganisms on the electrode surface. This technology realizes the synergistic effect of waste treatment and renewable energy production. A CF-NiO-PANI capacitor composite anode was prepared by loading polyaniline on a CF-NiO electrode to improve the capacitance of a CF electrode. The electrochemical characteristics of the composite anode were evaluated using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS), and the electrode materials were analyzed comprehensively by scanning electron microscopy (SEM), energy diffusion spectrometer (EDS), and Fourier transform infrared spectroscopy (FTIR). MFC system based on CF-NiO-PANI composite anode showed excellent energy conversion efficiency in potato starch wastewater treatment, and its maximum power density increased to 0.4 W/m3, which was 300% higher than that of the traditional CF anode. In the standard charge–discharge test (C1000/D1000), the charge storage capacity of the composite anode reached 2607.06 C/m2, which was higher than that of the CF anode (348.77 C/m2). Microbial community analysis revealed that the CF-NiO-PANI anode surface formed a highly efficient electroactive biofilm dominated by electrogenic bacteria (accounting for 47.01%), confirming its excellent electron transfer ability. The development of this innovative capacitance-catalytic dual-function anode material provides a new technical path for the synergistic optimization of wastewater treatment and energy recovery in MFC systems. Full article
(This article belongs to the Section Environmental Aspects in Colloid and Interface Science)
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20 pages, 4804 KiB  
Article
Analysis of Aerodynamic Heating Modes in Thermochemical Nonequilibrium Flow for Hypersonic Reentry
by Shuai He, Wei Zhao, Xinyue Dong, Zhuzhu Zhang, Jingying Wang, Xinglian Yang, Shiyue Zhang, Jiaao Hao and Ke Sun
Energies 2025, 18(13), 3417; https://doi.org/10.3390/en18133417 - 29 Jun 2025
Viewed by 398
Abstract
Thermochemical nonequilibrium significantly affects the accurate simulation of the aerothermal environment surrounding a hypersonic reentry vehicle entering Earth’s atmosphere during deep space exploration missions. The different heat transfer modes corresponding to each internal energy mode and chemical diffusion have not been sufficiently analyzed. [...] Read more.
Thermochemical nonequilibrium significantly affects the accurate simulation of the aerothermal environment surrounding a hypersonic reentry vehicle entering Earth’s atmosphere during deep space exploration missions. The different heat transfer modes corresponding to each internal energy mode and chemical diffusion have not been sufficiently analyzed. The existing dimensionless correlations for stagnation point aerodynamic heating do not account for thermochemical nonequilibrium effects. This study employs an in-house high-fidelity solver PHAROS (Parallel Hypersonic Aerothermodynamics and Radiation Optimized Solver) to simulate the hypersonic thermochemical nonequilibrium flows over a standard sphere under both super-catalytic and non-catalytic wall conditions. The total stagnation point heat flux and different heating modes, including the translational–rotational, vibrational–electronic, and chemical diffusion heat transfers, are all identified and analyzed. Stagnation point aerodynamic heating correlations have been modified to account for the thermochemical nonequilibrium effects. The results further reveal that translational–rotational and chemical diffusion heat transfers dominate the total aerodynamic heating, while vibrational–electronic heat transfer contributes only about 5%. This study contributes to the understanding of aerodynamic heating principles and thermal protection designs for future hypersonic reentry vehicles. Full article
(This article belongs to the Special Issue Computational Fluid Dynamics (CFD) Study for Heat Transfer)
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12 pages, 4483 KiB  
Article
Screening the Oxygen Reduction Reaction Performance of Carbon-Supported Pt-M (M = Ni, Cu, Co) Binary Electrocatalysts via Tuning Metal–Support Interaction
by Amisha Beniwal, Hariom Gurjar, Khushabu Shekhawat, Ashima Bagaria and Dinesh Bhalothia
Oxygen 2025, 5(3), 10; https://doi.org/10.3390/oxygen5030010 - 27 Jun 2025
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Abstract
Platinum-based catalysts remain the benchmark for the oxygen reduction reaction (ORR) in fuel cells, owing to their exceptional catalytic activity in the harsh chemical environment. However, optimizing Pt utilization and improving performance through support engineering are essential for commercial viability. In this study, [...] Read more.
Platinum-based catalysts remain the benchmark for the oxygen reduction reaction (ORR) in fuel cells, owing to their exceptional catalytic activity in the harsh chemical environment. However, optimizing Pt utilization and improving performance through support engineering are essential for commercial viability. In this study, we synthesized carbon-supported binary Pt-M (M = Ni, Cu, Co) electrocatalysts to investigate the influence of metal–support interactions on ORR activity. The Pt-M nanoparticles were fabricated on carbon supports, enabling the systematic screening of electronic and structural interactions. Among all compositions, Pt@Co exhibited the highest ORR mass activity, delivering 817 mA mgPt−1 at 0.85 V and 464 mA mgPt−1 at 0.90 V vs. RHE, surpassing both commercial Pt/C (J.M. 20 wt.%) and its Pt@Ni, Pt@Cu, and Pt@CNT counterparts. Structural and spectroscopic analyses reveal a strong electronic interaction between Pt and Co, leading to localized electron transfer from Co to Pt domains. This electronic modulation facilitates an optimal surface binding energy, enhancing oxygen adsorption–desorption kinetics and ORR activity. These findings highlight the critical role of transition metal–support synergy in the rational design of high-performance Pt-based electrocatalysts for next-generation fuel cell applications. Full article
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