Materials Chemistry and Physics最新文献

{"title":"Nickel pyrophosphate: Development, physicochemical properties and theoretical perspectives for energy storage and catalysis","authors":"Chaimaa Moukhfi ,&nbsp;Abdelmalek Matine ,&nbsp;Adil Chakir ,&nbsp;Youssef Ghandi ,&nbsp;Ali Barhoumi ,&nbsp;Soufiane Zerraf ,&nbsp;Mohamed Elalaoui Belghiti ,&nbsp;Brahim El Bali ,&nbsp;Said Belaaouad","doi":"10.1016/j.matchemphys.2025.132004","DOIUrl":"10.1016/j.matchemphys.2025.132004","url":null,"abstract":"<div><div>This study focuses on the synthesis and characterization of nickel pyrophosphate (Ni₂P₂O₇), a promising material for energy storage and catalysis applications. Ni₂P₂O₇ was prepared by solid-state reaction from nickel oxide and phosphate, followed by extensive characterization by different experimental and theoretical techniques. X-ray diffraction analysis confirmed the formation of a monoclinic α-Ni₂P₂O₇ phase. Infrared and UV–Visible spectroscopy revealed the vibrational and optical properties of the material. Morphological analysis by transmission electron microscopy revealed a heterogeneous structure with grains ranging in size from 155 to 541 nm.</div><div>Theoretical calculations based on density functional theory allowed us to examine the chemical reactivity of Ni₂P₂O₇, revealing good stability of the material. The study of the molecular electrostatic surface and Hirshfeld analysis highlighted the active sites of the material, essential for its catalytic and electrochemical performances. Additionally, Monte Carlo simulations were conducted to evaluate the hydrogen adsorption on the Ni₂P₂O₇ (110) surface, showing an improvement in the adsorption efficiency with increasing H₂ concentration. These results highlight the potential of Ni₂P₂O₇ for applications in energy storage and conversion technologies.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132004"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tailoring concentration of copper oxide materials to optimizing the morphological and electrochemical properties for symmetric supercapacitor devices","authors":"Pooja A. Desai ,&nbsp;Aishwarya A. Admuthe ,&nbsp;Dhanaji B. Malavekar ,&nbsp;Jin H. Kim ,&nbsp;Raghunath H. Patil","doi":"10.1016/j.matchemphys.2026.132138","DOIUrl":"10.1016/j.matchemphys.2026.132138","url":null,"abstract":"<div><div>The growing global demand for sustainable and efficient energy systems has intensified the need for high-performance energy storage devices such as supercapacitors. In this study, copper oxide (CuO) thin films were synthesized on stainless steel (SS) substrates using a hydrothermal approach followed by annealing at 300 °C. The influence of Cu-precursor molarity on the structural, morphological, and electrochemical properties of the CuO thin films was systematically investigated. X-ray diffraction (XRD) analysis confirmed the formation of monoclinic CuO with a polycrystalline phase, favourable for electrochemical charge storage. Scanning electron microscopy (SEM) revealed that precursor concentration strongly affects surface morphology, while the Brunauer–Emmett–Teller (BET) study indicated that the 0.15 M CuO thin film possesses a high surface area of 24 m²g^-1 with mesoporous characteristics. XPS analysis confirmed the formation of phase-pure CuO with Cu existing predominantly in the Cu²⁺ oxidation state (characteristic Cu 2p_3/2, Cu 2p_1/2 splitting of ∼19.8 eV and distinct satellite peaks), while the O 1s spectrum revealed lattice oxygen along with oxygen-vacancy-related and surface hydroxyl components, indicating defect-rich CuO thin films. Fourier transform infrared spectroscopy (FTIR) confirmed the successful formation of CuO, and energy-dispersive X-ray (EDS) analysis verified the presence of Cu and O elements. Electrochemical testing in 1 M KOH electrolyte showed that the CuO thin film with 0.15 M precursor concentration exhibited an excellent specific capacitance (C_s) of 558 Fg^-1 at a scan rate of 5 mV/s and 299 Fg^-1 at a current density of 6 Ag^-1. The CuO//CuO symmetric supercapacitor device delivered a specific capacitance of 84 Fg^-1 at 5 mV/s within a potential window of 0–1.2 V and demonstrated 75.7 % capacitance retention after 2000 charge–discharge cycles. These results highlight that CuO thin films synthesized via the hydrothermal method are promising electrode materials for high-performance supercapacitors and energy storage applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132138"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191535","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Benzothiazole-conjugated perylene diimide/functionalized reduced graphene oxide composite electrode for flexible supercapacitors","authors":"Sudhir D. Jagadale ,&nbsp;Sidhanath V. Bhosale ,&nbsp;Sheshanath V. Bhosale","doi":"10.1016/j.matchemphys.2026.132170","DOIUrl":"10.1016/j.matchemphys.2026.132170","url":null,"abstract":"<div><div>The development of flexible devices based on organic small molecules (OSMs) will be a crucial advantage in modern portable and wearable electronic appliances. In this work, we investigate the energy storage capacity of benzothiazole functionalized perylene diimides such as 2,9-bis(6-methoxybenzo[<em>d</em>]thiazol-2-yl)anthra[2,1,9-def:6,5,10-d'e'f'] diisoquin oline-1,3,8,10(2H,9H)-tetraone (PDI-BTH1) and 2,9-bis(6-hydroxybenzo[<em>d</em>]thiazol-2-yl)anthra[2,1,9-def:6,5,10-d'e'f'] diisoquinoline-1,3,8,10(2H,9H)-tetraone (PDI-BTH2)-reduced graphene oxide (rGO) composite-based electrode materials. The PDI-BTH1/rGO and PDI-BTH2/rGO- based three-electrode supercapacitor (SC) device delivered excellent specific capacitance (<em>C</em>_sp) of about 350 and 295.92 F g⁻¹ at 1 A g⁻¹ current density. The presence of the methoxy (–OCH₃) group in the organic molecular skeleton influences the <em>C</em>_sp of the electrode in the SC device. Moreover, in two-electrode PDI-BTH1/rGO//PDI-BTH1/rGO symmetric supercapacitor devices at 0.5 A g⁻¹ offers remarkable <em>C</em>_sp of 321.08 F g⁻¹ and outstanding energy density (ED) of 57.79 Wh kg⁻¹ at 1079.37 W kg⁻¹ power density (PD) with impressive cycling stability of 106.74% after 10000 gravimetric charging and discharging (GCD) cycles. Furthermore, the flexible device has been developed by depositing the PDI-BTH1/rGO electrode layer on graphite foil (GF). By assembling the PDI-BTH1/rGO//PDI-BTH1/rGO on a graphite foil (GF) surface in two-electrode flexible symmetric supercapacitor (FSSC) devices, the electrochemical performance was measured. The electrochemical studies showed that the FSSC device with its two structures with bending angles of 0° and 180° exhibits an excellent <em>C</em>_sp of 66.40 mF cm⁻² and 57.90 mF cm⁻², respectively, at 0.5 mA cm⁻². After 5000 GCD cycles, both the FSSC devices with 0° and 180° bending angles exhibited excellent cycling stability with 94.98% and 84.55% <em>C</em>_sp retention. The flexible flat SSC device displayed ED of 11.95 μWh cm⁻² at 1.66 mW cm⁻² PD. Therefore, these FSSC devices represent significant potential for electronics.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132170"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Strain-induced martensitic transformation and mechanical properties of additively manufactured AISI 316L austenitic stainless steel","authors":"Nasim Maboudi Far ,&nbsp;Rouhollah Mehdinavaz Aghdam ,&nbsp;Hamed Mirzadeh ,&nbsp;Farid Gharibi Asl ,&nbsp;Arian Najjari","doi":"10.1016/j.matchemphys.2026.132219","DOIUrl":"10.1016/j.matchemphys.2026.132219","url":null,"abstract":"<div><div>Strain-induced martensitic transformation and mechanical properties of AISI 316L austenitic stainless steel manufactured via the powder bed fusion (PBF) method known as selective laser melting (SLM) was investigated and compared with the conventionally manufactured as-annealed counterpart. At a comparable grain size, it was observed that the yield and tensile strengths of the as-SLM fabricated sample were higher compared to the as-annealed sample, which was attributed to the high dislocation density in the former due to the fast solidification and inherent thermal gradients in the SLM process. To investigate the effect of manufacturing process on the strain-induced martensitic transformation, cold rolling with varying reductions in thickness (15 to 75%) was performed on both samples. Cold rolling promoted the formation of α′-martensite within the deformed austenitic matrix, similar to the advanced high-strength steels with transformation-induced plasticity effect, where both the martensite volume fraction and dislocation density in the as-SLM samples were higher than those in the as-annealed counterparts. Kinetics analysis by the Olson–Cohen model revealed that the initial microstructure of the as-SLM sample promotes the martensitic transformation. Based on the X-ray diffraction (XRD) patterns, the obtained relative texture coefficient (RTC) values revealed the promotion of a strong 220-type reflection during cold rolling. Vickers hardness similarly increased with higher thickness reductions due to the combined effect of enhanced dislocation density and martensite content, with a more pronounced increase observed in the as-SLM samples.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132219"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mesoporous ZnFe-layered double hydroxide electrodes via an electrochemical approach for high-performance supercapacitors","authors":"Alfiya M. Nadeghar ,&nbsp;Avinash C. Molane ,&nbsp;Shailesh G. Pawar ,&nbsp;Ramesh N. Mulik ,&nbsp;Manickam Selvaraj ,&nbsp;Arun Karnwal ,&nbsp;Prakash A. Mahanwar ,&nbsp;Vikas B. Patil","doi":"10.1016/j.matchemphys.2026.132158","DOIUrl":"10.1016/j.matchemphys.2026.132158","url":null,"abstract":"<div><div>Layered double hydroxides (LDHs), known for their unique anion-exchange capability and adjustable interlayer spacing, have emerged as splendid electroactive materials for supercapacitors featuring an extensive surface area and impressive theoretical capacitance. Hence, mesoporous ZnFe-layered double hydroxide thin film electrodes were prepared by the one-step electrochemical method. The prepared ZnFe-LDH thin films were characterized by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), Field emission scanning electron microscopy (FESEM), High-resolution transmission electron microscopy (HRTEM), and Contact angle measurement. Here, with the increase in the concentration of Zn²⁺, the electrochemical performance and morphology of ZnFe-LDH electrodes have changed. The electrochemical performance of ZnFe-LDH electrodes was tested in different electrolytes as KOH, NaOH, and KCl, by varying concentrations at the potential window of 1.2 V by cyclic voltammetry (CV), galvanostatic charging/discharging (GCD), and electrochemical impedance spectroscopy (EIS). The ZnFe-LDH3 electrode delivered the maximum specific capacitance of 950.23 F/g at 5 mV/s, specific energy 77.45 Wh/kg, specific power 5.41 kW/kg and 99.30 % of coulombic efficiency with 84.94 % capacitance retention rate over 10000 cycles at 100 mV/s scan rate. This can be attributed to the hierarchical structure, improved hydrophilicity, fast reversible redox reactions, and the material's high surface area of 35.73 m²/g. Furthermore, the assembled ZnFe-LDH3 symmetric device achieved the maximum specific energy of 19.52 Wh/kg and specific power of 2.18 kW/kg with an 80.2 % retention rate over 10000 cycles. These findings highlight the potential of ZnFe-LDH3 is a promising electrode material for supercapacitor applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132158"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Psoralen-loaded polycaprolactone microspheres: A pH-responsive drug carrier for the treatment of rheumatoid arthritis","authors":"Lixian Zhu ,&nbsp;Zhijie Gao ,&nbsp;Tengyue Zhang ,&nbsp;Hechao Zhao ,&nbsp;Dexian Zeng ,&nbsp;Yanhua Wang","doi":"10.1016/j.matchemphys.2026.132185","DOIUrl":"10.1016/j.matchemphys.2026.132185","url":null,"abstract":"<div><div>Developing novel drug carriers for delivery of psoralen (PSO) is crucial to inhibit the pathogenesis of rheumatoid arthritis (RA). This work aims to develop PSO-loaded polycaprolactone (PCL) microspheres through a single emulsion solvent evaporation route, improving the bioavailability and controllable release of PSO. The resulting PCL@PSO microspheres are characterized by multiple physicochemical techniques. Results show the loading of PSO onto PCL, via surface adsorption, increases the size and specific surface area. Accordingly, the encapsulation efficiency and loading capacity of PCL@PSO microspheres are (87.77 ± 0.07)% and (12.28 ± 0.01)%, respectively. Strikingly, such microspheres exhibit pH-responsive drug kinetics, predominantly releasing PSO in alkaline environments in contrast with neutral or acidic conditions. This release pattern, mostly caused by diffusion, is conducive to inhibit inflammatory response whilst promote osteanagenesis in bone microenvironment. Cell experiments confirm PCL@PSO microspheres are cytocompatible with BMSCs cell but strongly toxic to RBL-2H3 cell. Mechanistically, mitochondrial apoptotic pathway, as evidenced by the up-regulation of pro-apoptosis proteins such as Caspase3, Cyto-c and Bax, is activated by PCL@PSO via increased ROS and reduced mitochondria membrane potentials. Further, the up-regulation of APC and LATS1, and the down-regulation of OIP5 are contributed to the apoptosis of RBL-2H3 cell. Moreover, PCL@PSO could down-regulate the expression of histamine receptor HRH1 in RBL-2H3 cell, thereby inhibiting inflammation expansion. However, the study is limited by the absence of in vivo animal validation, and the underlying mechanisms remain to be fully elucidated. In particular, the upstream regulatory pathways governing ROS generation have yet to be comprehensively investigated. Conclusively, it is feasible to use PCL@PSO microspheres as candidate micro-carriers to deliver PSO, terminally inhibiting inflammatory response whilst promoting osteanagenesis, especially for individuals suffered from rheumatoid arthritis.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132185"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tuning the electronic and optical properties of gear-like germanium nanotubes with transverse electric fields","authors":"Hsin-Yi Liu,&nbsp;Jhao-Ying Wu","doi":"10.1016/j.matchemphys.2026.132220","DOIUrl":"10.1016/j.matchemphys.2026.132220","url":null,"abstract":"<div><div>We present a comprehensive first-principles study on the electronic structure, charge distribution, and optical properties of germanium nanotubes (GeNTs) under transverse electric fields (<span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>t</mi></mrow></msub></math></span>). In contrast to their silicon and carbon analogues, GeNTs exhibit higher local valence band maxima at the Brillouin zone center and less dispersive bands, arising from the delocalized Ge <span><math><mrow><mn>4</mn><mi>p</mi></mrow></math></span> orbitals and reduced <span><math><mi>s</mi></math></span>-<span><math><mi>σ</mi></math></span> hybridization. Application of <span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>t</mi></mrow></msub></math></span> leads to a gradual bandgap narrowing and ultimately a semiconductor-to-metal transition, accompanied by notable charge redistribution and enhanced orbital mixing. GeNTs display highly anisotropic and polarization-sensitive optical responses. While the applied field tends to suppress optical anisotropy in armchair configurations, zigzag GeNTs retain strong direction-dependent absorption due to their intrinsic low symmetry and anisotropic electronic states. By tuning the tube geometry and field strength, one can achieve versatile control over the optoelectronic characteristics of GeNTs. These results highlight GeNTs as promising low-dimensional platforms for next-generation nanoelectronic and photonic devices, where external fields offer a viable route to tailor their light–matter interactions.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132220"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical synthesis, densification and corrosion properties of Cu/MgO metal matrix composite","authors":"Ali Kamalamiri,&nbsp;Mohammad Ardestani,&nbsp;Alireza Abbasi","doi":"10.1016/j.matchemphys.2026.132045","DOIUrl":"10.1016/j.matchemphys.2026.132045","url":null,"abstract":"<div><div>This study presents a chemical synthesis route for producing pure Cu and Cu-8wt.%MgO composites with enhanced hardness and corrosion resistance. The process involved dissolution of Cu(NO₃)₂·3H₂O and Mg(NO₃)₂·6H₂O precursors, ammonia-induced precipitation of Cu₂(NO₃)(OH)₃ and Mg(OH)₂, followed by calcination at 600 °C and hydrogen reduction at 550 °C. Microstructural analysis revealed uniform MgO distribution and refined particle size due to sequential nucleation during precipitation. After sintering at 1000 °C and repressing at 700 &amp; 1200 MPa, the composite demonstrated superior densification compared to pure Cu, with relative density improvements attributed to optimized particle packing and work hardening effects. Mechanical testing demonstrated a substantial increase in hardness, from 21 HV for sintered pure Cu to 52 HV for the sintered Cu-8wt.%MgO composite. Post-repressing hardness values further rose to 110 HV for pure Cu and 115 HV for the composite, respectively. This significant enhancement could be attributed to a combination of MgO dispersion strengthening and severe plastic deformation effects. Electrochemical characterization in 3.5 wt% NaCl solution demonstrated the composite's exceptional corrosion resistance, exhibiting 3.5-fold higher polarization resistance than pure Cu. This improvement stems from MgO's triple protective mechanism: acting as a physical barrier, blocking cathodic sites and promoting stable oxide film formation. The developed Cu/MgO composite shows great potential for marine, chemical, and electrical applications requiring both mechanical durability and corrosion resistance, while the synthesis approach provides a template for designing other oxide-dispersion-strengthened copper systems.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132045"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanical and thermal properties of 3D needled carbon fiber reinforced CaZr4(PO4)6 ceramics prepared by fast hot-pressing sintering","authors":"Ning An ,&nbsp;Xiaoli Liu ,&nbsp;Kai Jiang ,&nbsp;Fang Tian ,&nbsp;Ziyi Liu ,&nbsp;Zhenjia Bu ,&nbsp;Chenxi Pei ,&nbsp;Yang Wang ,&nbsp;Ruixiang Liu ,&nbsp;Changling Zhou ,&nbsp;Degang Zhao ,&nbsp;Futian Liu","doi":"10.1016/j.matchemphys.2026.132159","DOIUrl":"10.1016/j.matchemphys.2026.132159","url":null,"abstract":"<div><div>CaZr₄(PO₄)₆ (CZP) ceramics, owing to their unique low thermal expansion and low thermal conductivity, have shown great promise for high-temperature applications such as aerospace. However, their inherently low fracture toughness severely limits practical use. To simultaneously address the challenges of toughening while maintaining low thermal conductivity and low thermal expansion, this study employed slurry infiltration (SI) and fast hot-pressing (FHP) techniques at 1200 °C under 40 MPa for 10 min to fabricate three-dimensional needle-punched carbon fiber reinforced CZP composites (3D-C_f/CZP), using a carbon fiber preform with a bulk density of 0.27 g/cm³. Additionally, a pyrolytic carbon (PyC) interphase with a thickness of approximately 500 nm was introduced to produce 3D-C_f/PyC/CZP composites. The effects of carbon fibers and PyC coating on the microstructure, mechanical properties, and thermal behavior of CZP ceramics were systematically investigated. The results demonstrated excellent chemical compatibility and stable coexistence between the carbon fibers and the CZP matrix. The incorporation of three-dimensional carbon fibers significantly enhanced the fracture toughness of CZP ceramics, increasing from 1.46 ± 0.12 to 4.14 ± 0.35 MPa m^1/2, and further to 6.83 ± 0.41 MPa m^1/2 with the introduction of a PyC interfacial coating. This improvement is primarily attributed to multiple toughening mechanisms, including crack deflection, fiber pull-out, and interfacial debonding. The C_f/CZP composite retained a low coefficient of thermal expansion (CTE), exhibiting an average CTE of 0.95 × 10⁻⁶ °C⁻¹, and the thermal conductivity (0.60–0.70 W m⁻¹ K⁻¹) was lower than that of the CZP matrix (0.85–0.95 W m⁻¹ K⁻¹). In contrast, the PyC coating increased the thermal conductivity of C_f/PyC/CZP composite (1.00–1.10 W m⁻¹ K⁻¹), but resulted in a further reduction in CTE to 0.71 × 10⁻⁶ °C⁻¹, indicating a certain trade-off between interfacial toughening and thermal transport properties. This study confirms that the combination of 3D-C_f reinforcement and PyC coating can synergistically enhance the fracture toughness of CZP ceramics while maintaining their low thermal conductivity and low thermal expansion characteristics. However, the increase in thermal conductivity induced by the PyC layer, the stability issues of the material in oxidizing environments, and the still-required improvement in flexural strength are critical challenges that must be addressed synergistically in practical applications. These challenges collectively provide clear guidance for subsequent research directions, including interface optimization, oxidation protection, and mechanical performance enhancement.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132159"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and optimization of MXene–perovskite solar absorbers using multi-geometry metasurface resonators with AI-based modeling","authors":"Krunal Patel ,&nbsp;Vishal Sorathiya ,&nbsp;Amar Y. Jaffar ,&nbsp;Ayman Alharbi ,&nbsp;Fahd M. Aldosari ,&nbsp;Abdullah G. Alharbi","doi":"10.1016/j.matchemphys.2026.132188","DOIUrl":"10.1016/j.matchemphys.2026.132188","url":null,"abstract":"<div><div>This work presents a design for a novel solar absorber and solar cell featuring a multi-shape resonator configuration, in which different resonator geometries (square, hexagonal, and circular) are integrated atop an Au–HTL–Perovskite–MXene–ETL stack to enhance plasmonic coupling and broadband absorption. The design is examined across a wide wavelength span from 0.15 to 3 μm. The performance of the solar absorber is compared using various ETL and HTL materials, and its response under cell sizes, different layer thicknesses, and resonator shapes is assessed. The addition of two innovative materials, MXene and Perovskite, to the structure enables the development of an ultra-efficient solar absorber that achieves absorption above 80% with angular stability up to 60°. We further simulated the J–V characteristics and showed that the device achieves a short-circuit current density of 22 mA/cm².We also analzsed refractive index, permittivity, permeability, and impedance to examine metamaterial effects, comparing absorption with the AM 1.5 solar spectrum. The proposed structure is analyzed using different ML models, including Gradient Boosting, kNN, Random Forest, Neural Network, and AdaBoost. For accurate prediction, the proposed model is evaluated using multiple error measurement parameters such as MSE, RMSE, MAE, MAPE, and R² for precise absorption spectrum prediction. Among all tested ML models, the neural network yields the lowest R² value of 0.88, while the other four models achieve an R² of 0.98. These analyses validate a strong potential for applying the proposed absorber design and predictive modelling approach to advanced solar cell technologies and thermal energy applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132188"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191913","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}