Advanced Composites and Hybrid Materials最新文献

{"title":"A straightforward route to hexagonal-boron nitride fibers","authors":"Ping-Yuan Lee,&nbsp;Barbara M. Maciejewska,&nbsp;Mathew J. Cross,&nbsp;Chloe M. van Beek,&nbsp;Claire N. Brodie,&nbsp;Athul S. Bhaskaran,&nbsp;George T. Tebbutt,&nbsp;Ryan M. Schofield,&nbsp;Samuel J. Page,&nbsp;Ed Darnbrough,&nbsp;Marcel Swart,&nbsp;Andrew S. Weller,&nbsp;Nicole Grobert","doi":"10.1007/s42114-025-01418-7","DOIUrl":"10.1007/s42114-025-01418-7","url":null,"abstract":"<div><p>Advanced fibers enable the fabrication of structures and composites for applications reliant on lightweight, oxidation resistant, mechanically strong, and electrically insulating materials, <i>e.g.</i> in all forms of land, air, and space transportation and in applications within extreme environments. Hexagonal boron nitride (h-BN) fibers harness these advantages, and in addition, offer ultra-high-strength-to-weight ratio and low density. Yet, existing precursors for polymer-derived BN fibers are limited to insoluble and air/moisture sensitive polyborazylenes, hindering fiber production at scale. In this contribution, we report a reliable, controllable, and scalable synthesis methodology for producing pure micro- and nano-h-BN fibers, offering a competitive alternative to NASA’s energy-intensive h-BN nanotubes production. The single-source precursor<i>, N-</i>methyl polyaminoborane (PMeAB), plays a pivotal role in this process. The catalytic, and scalable, synthesis of PMeAB with controlled molecular weights (<i>M</i>_<i>w</i> = 110,500–290,500 g·mol⁻¹) enables the production of h-BN fibers by electrospinning method and thermolysis under ammonia. PMeAB molecular weight and concentration were identified as key factors dictating the viscosity and surface tension, and thus influencing the overall spinnability of the PMeAB solution. We reveal that the subsequent formation of a cross-linked intermediate during PMeAB thermolysis is essential to retain the fibrous morphology during the conversion to h-BN fibers. Comprehensive characterization demonstrated the purity and homogeneity of the h-BN fibers, with ~ 97 at.% of B and N contents combined throughout the fiber body. This newly disclosed route to h-BN fibers offers a route to potentially valuable multifunctional filler material for advanced lightweight composites suitable for applications in extreme environments.\u0000</p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01418-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145256601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unlocking surface and interface engineering of layered double hydroxide (LDH)-based catalysts for efficient catalytic water-splitting: a comprehensive review","authors":"Kai Chen,&nbsp;Periyayya Uthirakumar,&nbsp;Vandung Dao,&nbsp;Yong-Hua Cao,&nbsp;Sunny Yadav,&nbsp;In-Hwan Lee","doi":"10.1007/s42114-025-01474-z","DOIUrl":"10.1007/s42114-025-01474-z","url":null,"abstract":"<div><p>Hydrogen production by electrochemical and photocatalytic water splitting is a targeted technique to reshape the global energy landscape and establish a sustainable hydrogen economy. The precious-metal-free catalysts with unique morphological design and diverse compositions are the cornerstone for hydrogen via water splitting. Among numerous newly proposed catalytic designs, the layered double hydroxides (LDHs) have been intensively studied owing to their unique structural design of layered structure, bandgap tunability by doping, single-atom integration, and heterostructure interface, which hold promising results for hydrogen production. However, pure LDH catalysts exhibit slow carrier transport behavior, easy agglomeration, and weak electronic conductivity. Therefore, this review summarizes the recent research on designing LDH derivatives using surface and interface regulation technologies to significantly enhance the electro/photocatalytic water splitting by overcoming the bottlenecks above. Meanwhile, this review highlights the influence of defect engineering, heterojunction interface engineering, heteroatom doping effects, and atomic-level coupling effect used in developing LDH derivatives to improve electrochemical and photocatalytic water splitting. Also, the characterization methods of LDH derivative structures at the forefront are analyzed, and the latest application progress is reviewed. Finally, this review describes the necessary development scenarios and high-quality application potential of LDH derivatives as a critical summary that facilitates future research scopes. </p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01474-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic performance of vanadium-modified Mg2Ni alloy for hydrogen storage","authors":"Wengang Bu,&nbsp;Rong Wang,&nbsp;Zhongyu Liu,&nbsp;Xiangyang Wang,&nbsp;Jiamao Hao,&nbsp;Hui Yong,&nbsp;Zhenfeng Hu,&nbsp;Xiubing Liang","doi":"10.1007/s42114-025-01471-2","DOIUrl":"10.1007/s42114-025-01471-2","url":null,"abstract":"<div><p>This study investigates the effect of vanadium (V) addition on the hydrogen storage performance of Mg-Ni alloys prepared via high-energy ball milling (HEBM). The kinetic and thermodynamic properties of the composites were investigated by using analytical methods such as XRD, TEM, SEM, and PCT, and the modification patterns of Mg-Ni–based alloys with different contents of V particles were described. The results indicate that V does not alloy with Mg₂Ni but exists as interstitial particles, enhancing the microstructure and improving the hydrogen storage properties of the alloys. The alloy exhibits a flat pressure-composition curve, which indicates that the alloy reaches thermodynamic equilibrium during hydrogenation and the metallic phase coexists with the hydride phase. The apparent activation energy (<i>E</i>_des) for dehydrogenation decreased with increasing V content, from 32.04 kJ/mol for (Mg₂Ni)₉V₁ to 28.94 kJ/mol for (Mg₂Ni)₅V₅, suggesting improved kinetic properties. Thermodynamic parameters, such as enthalpy change (Δ<i>H</i>) and entropy change (Δ<i>S</i>), were also calculated, showing a reduction in Δ<i>H</i> with increasing V content, which enhances the hydrogen storage capacity. The findings demonstrate that the addition of V significantly improves the hydrogen storage performance of Mg-Ni alloys, making them promising as advanced hydrogen storage materials for practical applications.</p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01471-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advances in nanomaterial-based therapeutic research for spinal cord injuries: an overview","authors":"Zhilei Zhang,&nbsp;Bo Li,&nbsp;Chunxia Zhang,&nbsp;Zulipikaer Maimaiti,&nbsp;Libin Cui,&nbsp;Peng Zhao,&nbsp;Yanjun Zhang,&nbsp;Chunyan Wang,&nbsp;Yaqing Zhang,&nbsp;Lu Li,&nbsp;Jingang Song,&nbsp;Yan Zhang,&nbsp;Liang Liu,&nbsp;Bing Zhao","doi":"10.1007/s42114-025-01401-2","DOIUrl":"10.1007/s42114-025-01401-2","url":null,"abstract":"<div><p>The incidence of spinal cord injury is high, and current treatment methods are limited, resulting in multiple complications and poor recovery outcomes. The application prospects of nanomaterials are broad, and their unique properties make them a hot topic in fields such as drug carriers, tissue engineering scaffolds, and biosensors. Nanomaterials have the potential to provide revolutionary means for the treatment of spinal cord injury by delivering drugs. This article mainly discusses the design and optimization of nano drug carriers in the treatment of spinal cord injury. Nano drug carriers improve bioavailability and reduce side effects by precisely controlling drug release. Design and optimization strategies include material selection, targeted design, and controlled release design to achieve more effective treatment. This article also explores the application of nanomaterials in improving the local microenvironment. Nanoparticles effectively reduce inflammation by regulating immune responses, clearing reactive oxygen species, and promoting nerve regeneration, creating a more favorable microenvironment for nerve repair. In addition, this article also explores the biocompatibility and safety of nanomaterials. It is necessary to evaluate their biocompatibility through tests such as cytotoxicity, tissue irritation, and in vivo toxicity, while monitoring the physical, chemical, and biological properties of nanomaterials to ensure their safety during the treatment process. Therefore, further development and innovation of nanotechnology will focus on improving material biocompatibility and precise targeting, as well as exploring new nanocomposite materials to enhance therapeutic effects, while deepening the understanding of nanoscale biological processes and promoting revolutionary breakthroughs in the field of spinal cord injury treatment.</p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01401-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Homogeneously cross-linked in situ hydrogel enclosing high-density human-cancer cells promotes vascularized in vivo tumor modeling for immune cell therapy","authors":"Ziqi Huang,&nbsp;Yip Ming Tsun,&nbsp;Chao Liang,&nbsp;Zhenzhen Wu,&nbsp;Theo Aurich,&nbsp;Lu Liu,&nbsp;Chloe Kan,&nbsp;Rio Ryohichi Sugimura,&nbsp;Sang Jin Lee","doi":"10.1007/s42114-025-01429-4","DOIUrl":"10.1007/s42114-025-01429-4","url":null,"abstract":"<div><p>Cancer models in animal studies play a central role in cancer research, particularly in investigating vascularized tumor tissues for the validation of immune cell therapies. However, xenografts relying solely on cancer cells are ineffective for optimal tumor tissue formation. Additionally, tumor modeling using hydrogels with cancer cells to promote vascularization often leaves behind residual biomaterials that inhibit integration with surrounding tissues. To address these issues, we utilized a straightforward in vivo vascularized tumor modeling method with a completely degradable, cross-linker-free carboxymethyl chitosan (CMCTS)/oxidized hyaluronic acid (oHA) hydrogel that encapsulates high-density human cancer cells for in situ injection. The CMCTS/oHA hydrogel was fully degraded within 3 weeks in vitro, enabling three-dimensional (3D) cell condensation. Two weeks after subcutaneous injection in mice, solid tumors formed, with native host vasculature infiltrating the transplanted human cancer cells, confirming spontaneous hydrogel degradation. Following this, human macrophages were administered via tail vein injection, enhancing the accumulation of mouse immune cells in the humanized tumor twofold and showing murine macrophages adjacent to the vasculature. This study thus provides proof-of-concept for a facile and fully vascularized humanized tumor model in mice for validating immune cell therapies.</p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01429-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In situ synthesis and morphological evolution of NiCo-LDH@CSC with a 3D nanosheet pore framework for high-performance supercapacitors","authors":"Yang Wu,&nbsp;Li Liu,&nbsp;Chen Wang,&nbsp;Huanran Liu,&nbsp;Hao Zhou,&nbsp;Zhiwen Cheng,&nbsp;Maohong Fan,&nbsp;Guoqing Shen,&nbsp;Qincheng Chen","doi":"10.1007/s42114-025-01446-3","DOIUrl":"10.1007/s42114-025-01446-3","url":null,"abstract":"<div><p>Asymmetric supercapacitors (ASCs) incorporating layered double hydroxides (LDHs) as electrode materials exhibit excellent capacitance and energy density. However, the inherent poor conductivity and structural instability of LDHs significantly limit their rate capability and lifespan in ASCs. In this study, the synthesis of a novel composite material (NiCo-LDH@CSC_x) by in situ growth of LDH on environmentally friendly, corn straw-derived porous carbon (CSC) via a simple hydrothermal process was reported. The optimized NiCo-LDH@CSC_0.05 forms well-ordered 3D nanosheet arrays anchored on porous structure, characterized by interlocking pores and nanosheets. This structure enhances electrochemical performance, resulting in a high specific capacity of 195.73 mAh/g (1 A/g), and the capacity still remains in remarkable 89.93 mAh/g at 20 A/g. The assembled ASC, comprising a NiCo-LDH@CSC_0.05 positive electrode and a CSC negative electrode, achieves an energy density of 53.7 Wh/kg at 750.1 W/kg and possesses a capacitance retention rate of 89.2% after 10,000 charge–discharge cycles at 5 A/g. Density functional theory analysis results reveal that CSC incorporation upgrades OH⁻ adsorption energy on the electrode surface, improving both capacity and cycling stability. This study presents a cost-effective and scalable approach for designing high-performance ASCs with prolonged operational lifespans.</p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01446-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A strong, tough, fatigue-resistant, and biocompatible biogel via lignin-induced multiscale energy dissipation mechanisms","authors":"Yihui Gu,&nbsp;Chuchu Chen,&nbsp;Yufeng Yuan,&nbsp;Xuyang Guo,&nbsp;Chaofeng Zhang,&nbsp;Wenjuan Wu,&nbsp;M. Mostafizur Rahman,&nbsp;Bo Jiang,&nbsp;Yongcan Jin","doi":"10.1007/s42114-025-01430-x","DOIUrl":"10.1007/s42114-025-01430-x","url":null,"abstract":"<div><p>Replicating the unique combination of biocompatibility and mechanical strength found in biological tissues within synthetic biomass materials remains a critical challenge in advanced materials engineering. In this study, a synergistic “lignin/solvent-induced noncovalent enhancement” strategy was adopted to precisely regulate the network topology through lignin/glycerol solvent substitution in a chitosan/gelatin dual-network matrix. Following glycerol solvent exchange, the polymer–polymer interactions are intensified, inducing the formation of a homogeneous and robust polymer network and completing the network reconstruction. The sulfonic acid and hydroxyl moieties in sulfonated lignin act as dynamic cross-linking points within the chitosan/gelatin network. These functional groups mediate interfacial electrostatic and hydrogen bonding interactions, thereby constructing multiple networks that exhibit superior energy dissipation capacity under deformation through reversible bond rupture and reformation mechanisms. This strategy not only breaks through the mechanical limits of conventional dual-network biogels (tensile strength, 4.35 ± 0.08 MPa; compressive strength, 66.11 ± 3.90 MPa) but also confers excellent biocompatibility and anti-fatigue properties to the material. Such a biomass-derived gel provides a promising route toward the development of high-performance load-bearing materials.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01430-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Controlled in-situ crystallization in amine-rich millicapsules for hyper-efficient copper recovery","authors":"Yun Lee,&nbsp;Sung Kyu Maeng,&nbsp;Ki Bong Lee,&nbsp;Jae-Woo Choi,&nbsp;Youngkyun Jung","doi":"10.1007/s42114-025-01439-2","DOIUrl":"10.1007/s42114-025-01439-2","url":null,"abstract":"<div><p>Sustainable copper (Cu) circulation is critical for both environmental protection and industrial advancement, as Cu is an essential material in electronics, energy storage, and catalysis. However, conventional adsorbents struggle with low efficiency and poor selectivity when recovering Cu from large wastewater volumes, leading to resource loss and secondary pollution. This study introduces diethylenetriamine (Dien)-rich millicapsules (DMCs) with ion-transferring porous frameworks designed for capacitive, stable, and highly selective Cu recovery from complex liquid environments. The unique three-dimensional center-radial frameworks significantly enhance Cu²⁺ ion transport to the capsule core, ensuring efficient capture and crystallization. Simultaneously, hierarchical pores with high surface curvature increase Dien density, promoting rapid Cu nucleation and controlled crystal growth. Large internal voids provide ample space for dense Cu₂(OH)₃NO₃ crystal formation, achieving Cu²⁺ adsorption capacity of 1602.30 mg g^–1 and ensuring long-term recovery stability. Additionally, a nanoporous shell prevents crystal leakage while blocking suspended solids, maintaining structural integrity. Through a synergistic chelation–crystallization mechanism, the DMCs achieve unprecedented Cu²⁺ adsorption capacity and selectivity, with effective regeneration for seven repetitive adsorption–desorption cycles. This novel transition from conventional 2D surfaces to advanced 3D spaces not only enhances resource recovery but also contributes to sustainable metal recycling, resource security, and the circular economy.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01439-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Manufacturing a low-carbon geopolymer self-sensing composite for intelligent structure","authors":"Dongyu Wang,&nbsp;Zuhua Zhang,&nbsp;Siqi Ding,&nbsp;Chaolie Ning,&nbsp;Cheng Shi,&nbsp;Xiaoqing Liu,&nbsp;Qiang Ren,&nbsp;Zhengwu Jiang","doi":"10.1007/s42114-025-01462-3","DOIUrl":"10.1007/s42114-025-01462-3","url":null,"abstract":"<div><p>The advancement of smart building and infrastructure has increased the demand for intelligent materials with highly sensitive structural health monitoring (SHM) function. This study reports a high cost-effective strategy of manufacturing geopolymer self-sensing composites (GSCs) with high strength and sensitivity yet low carbon footprint. The effects of the precursor composition and conductive fillers, i.e., nano carbon black (NCB) and copper coated steel fiber (CSF), on the mechanical and electrical properties were investigated. To achieve high and stable sensitivity, the self-sensing behaviors and underlying mechanisms of hybrid NCB and CSF reinforced GSCs were examined through multiscale microstructural analyses. Pore structures were systematically analyzed using nitrogen adsorption desorption (NAD), mercury intrusion porosimetry (MIP), and X-ray computed tomography (X-CT), while interface microstructure was characterized via scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energy-dispersive spectroscopy (EDS). The results indicate that the hybrid NCB and CSF system forms a three-dimensional reinforcing and continuous conductive network within the cross-linked SiO₄ and AlO₄ tetrahedral framework. This synergistic effect significantly enhances the self-sensing performance of GSCs by refining the nanopore structure, improving conductive pathway connectivity, enhancing ductility at low strain levels, and maintaining structural stability under high strain. An optimal GSC mixture composed of 60% ground granulated blast furnace slag, 25% metakaolin, and 15% silica fume manufactured in this study achieved a maximum gauge factor of 3853.4, representing an order-of-magnitude improvement in sensitivity compared to the Portland cement–based counterpart. GSCs demonstrated high potential for SHM application, providing an innovative material manufacturing strategy for next-generation intelligent structure.</p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01462-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210409","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Half-metallicity and spin-gapless semiconducting properties in FeCrTiM (M = Al, As, Si) quaternary heusler alloys for spintronic, thermoelectric and optoelectronic applications","authors":"R. Ameur,&nbsp;K. Bouferrache,&nbsp;A. Guibadj,&nbsp;M. A. Ghebouli,&nbsp;B. Ghebouli,&nbsp;M. Fatmi,&nbsp;Faisal Katib Alanazi","doi":"10.1007/s42114-025-01466-z","DOIUrl":"10.1007/s42114-025-01466-z","url":null,"abstract":"<div><p>The structural, electronic, magnetic, thermal, and optical properties of the quaternary Heusler alloys FeCrTiM (where M = Al, As, Si) were investigated using first-principles density functional theory (DFT) calculations. The ground state is found to be the type-1 ferrimagnetic configuration. In addition, the calculated formation energies (− 1.63 eV for FeCrTiAl, − 1.048 eV for FeCrTiAs, and − 0.774 eV for FeCrTiSi) confirm that these compounds are thermodynamically stable relative to their elemental constituents<b>,</b> suggesting the possibility of experimental synthesis under suitable conditions. The calculated lattice constants and ground-state parameters for FeCrTiAs and FeCrTiAl are presented as theoretical predictions. Based on band structure analysis, FeCrTiAs and FeCrTiSi exhibit half-metallic ferrimagnetism at equilibrium, although near spin-gapless features may emerge under lattice distortions. This makes them promising candidates for spintronic applications. All studied compounds display half-metallic ferrimagnetism with total magnetic moments that follow the Slater-Pauling rule, increasing linearly with the number of valence electrons. The optical properties reveal high static dielectric constants and refractive indices, indicating potential applications in optoelectronic devices. Additionally, the thermoelectric performance of these materials was evaluated, with calculated Seebeck coefficients up to ~ 1.5 mV·K⁻¹, electrical conductivity σ ≈ 3.5 × 10⁶ S·m⁻¹, electronic thermal conductivity around 25 W·m⁻¹·K⁻¹, and a predicted figure of merit (ZT) close to 1 at 300 K. These combined results suggest that FeCrTiM (M = Al, As, Si) alloys are multifunctional materials with strong potential for use in high-performance energy conversion, optoelectronics, and spintronic devices.</p></div>","PeriodicalId":7220,"journal":{"name":"Advanced Composites and Hybrid Materials","volume":"8 5","pages":""},"PeriodicalIF":21.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42114-025-01466-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}