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Search Results (2,008)

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Keywords = Ti4+ doping

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13 pages, 3249 KB  
Article
Enhancing Magneto-Optical Performance in LaFeO3 Thin Films via Cubic-Phase Transition Induced by Ce3+/Ti4+ Co-Doping
by Zhuoqian Xie, Chenjun Xu, Yunye Shi, Nanxi Lin and Qisheng Tu
Magnetochemistry 2026, 12(4), 46; https://doi.org/10.3390/magnetochemistry12040046 - 7 Apr 2026
Abstract
Birefringence, arising from the low-symmetry structure in orthorhombic LaFeO3, limits the observation and utilization of magneto-optical effects. In this study, the pure-phase perovskite-typed La1−xCexFe1−xTixO3/SiO2 thin films were successfully [...] Read more.
Birefringence, arising from the low-symmetry structure in orthorhombic LaFeO3, limits the observation and utilization of magneto-optical effects. In this study, the pure-phase perovskite-typed La1−xCexFe1−xTixO3/SiO2 thin films were successfully fabricated via radio-frequency magnetron sputtering, where the co-doping of Ce3+ and Ti4+ ions effectively induced a structure transition from orthorhombic to a highly symmetric cubic phase, eliminating birefringence effect and thus reducing optical transmission loss. At the same time, the doped Ce3+ ions also effectively enhanced the magnetic and magneto-optical effects of the system due to their strong spin coupling effect and superexchange interaction with Fe3+ ions. The results show that the cubic-phase La0.5Ce0.5Fe0.5Ti0.5O3/SiO2 thin film exhibits excellent magnetic and magneto-optical performance. Their saturation magnetization reaches 180 emu/cm3 with an in-plane easy magnetic axis. And their magnetic circular dichroic ellipticity |ψF| reaches 3054 degrees/cm. Full article
(This article belongs to the Section Magnetic Materials)
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16 pages, 877 KB  
Review
Titanium Dioxide in Biomedical and Environmental Nanotechnology: From Photocatalytic Detoxification to Targeted Therapeutics
by Avraham Dayan and Gideon Fleminger
Molecules 2026, 31(7), 1197; https://doi.org/10.3390/molecules31071197 - 3 Apr 2026
Viewed by 309
Abstract
Titanium dioxide (TiO2) has evolved from a conventional photocatalyst into a sophisticated nano-platform that bridges environmental sustainability and biomedicine. This paper proposes a unified interfacial redox design framework that links the electronic-structure engineering of the TiO2 with the spatial control [...] Read more.
Titanium dioxide (TiO2) has evolved from a conventional photocatalyst into a sophisticated nano-platform that bridges environmental sustainability and biomedicine. This paper proposes a unified interfacial redox design framework that links the electronic-structure engineering of the TiO2 with the spatial control of its reactive oxygen species (ROS). In the environmental sector, we highlight advances in photocatalytic detoxification, such as the cleavage of organophosphates via Ag-modified TiO2, driven by doping and metal–support interactions. In the biomedical domain, TiO2 is framed as an active bio-interface capable of coordinative protein binding. We specifically examine the “moonlighting” protein dihydrolipoamide dehydrogenase (DLDH) as a model for stable, oriented biofunctionalization. By integrating RGD-targeting motifs, these hybrid systems enable integrin-directed, localized photodynamic effects. We further address critical toxicological considerations, emphasizing that TiO2 behavior is context-dependent and governed by particle size, crystallinity, and surface state. By synthesizing insights from catalysis and redox biology, this manuscript outlines principles for the rational design of safer, application-specific TiO2 technologies. This convergence supports a transition from non-selective oxidation toward predictable, spatially confined redox outcomes in both complex environmental matrices and physiological systems. This review outlines key mechanistic insights and proposes design principles for controlled and context-dependent TiO2 activity. Full article
(This article belongs to the Section Applied Chemistry)
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39 pages, 5402 KB  
Review
Characterisation of TiO2- and Fe2O3-Based Nanocomposites by Photothermal Techniques for Potential Application as Photocatalysts for Water Purification Purposes
by Aarti Gupta, Rim Zgueb and Dorota Korte
Photonics 2026, 13(4), 313; https://doi.org/10.3390/photonics13040313 - 24 Mar 2026
Viewed by 262
Abstract
Organic dye-, pharmaceutical-, and heavy metal-contaminated water are emerging environmental issues, and thus there is a requirement for the development of efficient and sustainable purification methods. Semiconductor (SmC) material-based photocatalysis using TiO2 and Fe2O3 nanostructures is considered a promising [...] Read more.
Organic dye-, pharmaceutical-, and heavy metal-contaminated water are emerging environmental issues, and thus there is a requirement for the development of efficient and sustainable purification methods. Semiconductor (SmC) material-based photocatalysis using TiO2 and Fe2O3 nanostructures is considered a promising field for pollutant degradation due to its chemical stability, nontoxicity, and ability to perform photocatalytic degradation using light irradiation. Understanding the thermal, optical, and charge transport properties governing their photocatalytic activity requires advanced characterisation methods. In this context, photothermal (PT) techniques provide powerful tools for probing non-radiative processes and energy transport in photocatalytic materials. The photocatalytic activity of these materials strongly depends on their structural, optical, thermal, and electronic properties. These properties can be enhanced through several modification strategies, including metal and non-metal doping (e.g., C, N, Cu, Ag, Au), surface modification, forming a complex with SiO2, and the formation of Fe2O3–TiO2 heterostructure nanocomposites. In this review, a comprehensive overview is provided of TiO2 and Fe2O3-based nanocomposites with a specific focus on characterisation techniques for photothermal characterisation techniques, including thermal lens spectroscopy (TLS), beam deflection spectrometry (BDS), and photoacoustic spectroscopy (PAS), for determining thermal diffusivity, thermal conductivity, bandgap energy, carrier lifetime, surface roughness, porosity, etc., which are related to photocatalytic activity. The properties of these nanocomposites are correlated with photocatalytic activity for pollutant degradation using these nanocomposites. The challenges faced while using these nanocomposites for pollutant degradation are also discussed, along with future prospects for designing efficient photocatalysts for water purification applications. Full article
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13 pages, 1358 KB  
Article
KKR-CPA Study of the Electronic and Magnetic Properties of Transition Metal-Doped AgZnF3 Perovskites
by Ayoub Koufi, Younes Ziat and Hamza Belkhanchi
Magnetism 2026, 6(1), 14; https://doi.org/10.3390/magnetism6010014 - 23 Mar 2026
Viewed by 218
Abstract
In this work, the electronic, structural, and magnetic properties of Ti-, V-, Cr-, Mn-, and Ni-doped AgZnF3 perovskites are systematically investigated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation (KKR-CPA) within the generalized gradient approximation (GGA). Transition metal dopants (Ti [...] Read more.
In this work, the electronic, structural, and magnetic properties of Ti-, V-, Cr-, Mn-, and Ni-doped AgZnF3 perovskites are systematically investigated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation (KKR-CPA) within the generalized gradient approximation (GGA). Transition metal dopants (Ti and V) at a concentration of 5% substituting the Zn site introduce 3d states that cross the Fermi level in the majority-spin channel, resulting in half-metallic behavior. Ferromagnetic stability is predicted for Ti-, V-, Cr-, and Mn-doped AgZnF3 at a doping concentration of 5%. The TM-doped AgZnF3 alloys exhibit noticeable variations in exchange splitting between the t2g and e_g states of the TM-3d orbitals. In Ti-doped AgZnF3, the calculated spin magnetic moments follow the expected trend based on crystal-field splitting theory. Furthermore, a clear correlation is observed between the nature of the transition metal dopant (Ti, V, Cr, Mn, and Ni) and the total magnetic moment of the system. Full article
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14 pages, 4770 KB  
Article
Microstructural Evolution and Precipitate Control in Boron-Doped Ni-Mn-Ti Shape Memory Alloys via Thermal Processing
by Na Liu, Marcia Ahn, Subrata Ghosh, Dipika Mandal, Bed Poudel and Wenjie Li
Crystals 2026, 16(3), 211; https://doi.org/10.3390/cryst16030211 - 20 Mar 2026
Viewed by 250
Abstract
Elastocaloric cooling, which leverages stress-induced phase transformation in shape memory materials, represents a sustainable and energy-efficient alternative to conventional vapor-compression cooling systems. Central to optimizing these materials is understanding how thermal processing history dictates phase formation, microstructure, and thermal properties. In this study, [...] Read more.
Elastocaloric cooling, which leverages stress-induced phase transformation in shape memory materials, represents a sustainable and energy-efficient alternative to conventional vapor-compression cooling systems. Central to optimizing these materials is understanding how thermal processing history dictates phase formation, microstructure, and thermal properties. In this study, we investigated the (Ni50Mn31.5Ti18)99.8B0.2 compound synthesized via vacuum induction melting and arc melting, followed by water quenching. Induction melting results in needle-like, boron-rich precipitates within the martensite lattice. In contrast, vacuum arc melting promoted precipitate growth at the grain boundaries. The vacuum arc melting sample exhibits ~82% martensite phase fraction, a near-ambient transformation temperature of ~277 K, a large transition entropy change of ~75 J·kg−1·K−1, and moderate thermal hysteresis of ~24 K. These results underscore the pivotal role of thermal history in tailoring phase stability and transformation thermodynamics, providing essential design guidelines for subsequent mechanical performance optimization in elastocaloric shape memory alloys for energy-efficient and sustainable thermal management applications. Full article
(This article belongs to the Special Issue Applications of Crystalline Materials in Elastocaloric Devices)
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15 pages, 5982 KB  
Article
Cyclic Voltammetry-Assisted Electrodeposition of TiO2/PANI Thin Films on Boron-Doped Diamond and Fluorine-Doped Tin Oxide: Effect of Composition on Interfacial and Electrochemical Properties
by Robert Josep Villanueva-Silva, Ulises Páramo-García, Ricardo García-Alamilla, Luis Alejandro Macclesh del Pino-Pérez and Joel Moreno-Palmerin
Surfaces 2026, 9(1), 29; https://doi.org/10.3390/surfaces9010029 - 17 Mar 2026
Viewed by 252
Abstract
This study presents the successful electrodeposition of polyaniline (PANI) and TiO2/PANI composites on boron-doped diamond (BDD) and fluorine-doped tin oxide (FTO) substrates via cyclic voltammetry. Using 20 scan cycles in 0.5 M H2SO4, we synthesized thin films [...] Read more.
This study presents the successful electrodeposition of polyaniline (PANI) and TiO2/PANI composites on boron-doped diamond (BDD) and fluorine-doped tin oxide (FTO) substrates via cyclic voltammetry. Using 20 scan cycles in 0.5 M H2SO4, we synthesized thin films with tailored electrochemical properties. The formation of PANI was confirmed by characteristic redox peaks in the voltammograms, while FTIR spectroscopy identified key functional groups and bonding interactions between TiO2 and PANI. Morphological analysis via optical and scanning electron microscopy revealed uniform but cracked surfaces influenced by TiO2 loading. Composite electrodes with molar ratios of 2:1, 4:1, and 6:1 (TiO2:PANI) were compared, showing increased titanium content with higher ratios, as confirmed by EDS. This work offers a reproducible route for designing modified electrodes with enhanced interfacial properties. Full article
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14 pages, 5153 KB  
Article
Trace BaTiO3 Doping-Derived PVDF-Based Composite Thick Film for Dielectric Energy Storage
by Lixian Wang, Yangfan Zhang, Shengqi Li, Zhonghua Yao, Hua Hao, Minghe Cao, Wen Zhang, Zhijian Wang and Hanxing Liu
Materials 2026, 19(6), 1137; https://doi.org/10.3390/ma19061137 - 14 Mar 2026
Viewed by 387
Abstract
Ceramic-polymer nanocomposites combine the respective advantages of ceramics and polymers, boasting superior mechanical flexibility, thermal stability, optical transparency, and electrical conductivity, enabling their wide use in cutting-edge fields like medicine, aerospace, optoelectronic devices, and energy storage components. Notably, ceramic-polymer nanocomposites are a promising, [...] Read more.
Ceramic-polymer nanocomposites combine the respective advantages of ceramics and polymers, boasting superior mechanical flexibility, thermal stability, optical transparency, and electrical conductivity, enabling their wide use in cutting-edge fields like medicine, aerospace, optoelectronic devices, and energy storage components. Notably, ceramic-polymer nanocomposites are a promising, widely recognized strategy for developing high-energy-density, low-dielectric-loss, and flexible capacitors, due to the ceramic phase’s intrinsic high dielectric constant, which enhances dielectric capability, and the polymer phase’s high breakdown strength and mechanical flexibility. Ultimately, ceramic-polymer nanocomposites can reach an optimal dielectric performance. In this study, polyvinylidene fluoride (PVDF) was used as the matrix material and barium titanate (BaTiO3) as the reinforcing phase within the composite structure. The BaTiO3 ceramic particles were incorporated into PVDF via spin-coating technology, with composite formulations prepared at different concentrations (0.5 wt%, 1.0 wt%, 1.5 wt%, 2.0 wt%, 2.5 wt%, 3.0 wt%). A series of key parameters were measured and compared, such as the dielectric constant, breakdown strength, and energy storage density, of the BT/PVDF nanocomposite. The results indicated that the BT/PVDF nanocomposite with the optimal low BaTiO3 content demonstrates remarkable performance, achieving a breakdown strength (Eb) of 500 MV/m and an effective energy storage density of 15.5 J/cm3. This represents an improvement over conventional uniformly high-filler films. Full article
(This article belongs to the Section Energy Materials)
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13 pages, 2938 KB  
Article
Effect of Al Doping on the Photoelectrochemical OER Performance of Anisotropic SrTiO3 Crystals
by Lei Zhang, Xiaoli Ran, Jiyi Ma and Xiaohong Yang
Catalysts 2026, 16(3), 260; https://doi.org/10.3390/catal16030260 - 13 Mar 2026
Viewed by 419
Abstract
Perovskite oxide photoanodes are attractive for alkaline water oxidation but are commonly limited by interfacial recombination and sluggish charge transfer. Here we enhance anisotropic SrTiO3 (STO) photoelectrodes via Al doping by simple yet effective one-step hydrothermal method and identify an optimal composition [...] Read more.
Perovskite oxide photoanodes are attractive for alkaline water oxidation but are commonly limited by interfacial recombination and sluggish charge transfer. Here we enhance anisotropic SrTiO3 (STO) photoelectrodes via Al doping by simple yet effective one-step hydrothermal method and identify an optimal composition at 4% Al. In 0.1 M NaOH (pH 13) under simulated AM 1.5G illumination, 4% Al:STO exhibits 2 times enhancement in photocurrent density and 80% increase in electrochemically active surface area compared with the pristine SrTiO3, as evidenced by the reduced charge-transfer resistance and enlarged light–dark photocurrent gap. together with a markedly reduced interfacial impedance, indicating accelerated charge extraction and transfer. Band-structure analysis shows a positive shift in flat-band potential and slight band-gap narrowing after Al doping, providing more favorable carrier energetics. Steady-state and time-resolved photoluminescence further demonstrate strong PL quenching and a prolonged carrier lifetime for 4% Al:STO. ECSA analysis suggests increased electrochemically accessible surface sites at the optimal doping level. Overall, moderate Al doping synergistically tunes defects, band energetics, and interfacial kinetics to improve STO photoanodes for solar water splitting. Full article
(This article belongs to the Special Issue Advanced Catalysts for Energy Conversion and Environmental Protection)
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20 pages, 3544 KB  
Article
Study on the Construction and Performance Measurement of Tm2FeSbO7/BiYO3 Heterojunction Photocatalyst and the Photocatalytic Degradation of Sulfamethoxazole in Pharmaceutical Wastewater Under Visible Light Irradiation
by Jingfei Luan, Yu Cao, Jian Wang, Liang Hao, Anan Liu and Hengchang Zeng
Inorganics 2026, 14(3), 82; https://doi.org/10.3390/inorganics14030082 - 13 Mar 2026
Viewed by 378
Abstract
A novel catalyst, Tm2FeSbO7, was synthesized by employing the solid-phase high-temperature sintering method, and, for the first time, it was utilized to create a Z-type heterojunction with BiYO3. A direct Z-scheme Tm2FeSbO7/BiYO3 [...] Read more.
A novel catalyst, Tm2FeSbO7, was synthesized by employing the solid-phase high-temperature sintering method, and, for the first time, it was utilized to create a Z-type heterojunction with BiYO3. A direct Z-scheme Tm2FeSbO7/BiYO3 heterojunction photocatalyst (TBHP) was successfully produced by employing the ball-milling technique. X-ray diffraction analysis results indicated that Tm2FeSbO7 crystallized in a cubic pyrochlorestructure which owned the Fd-3m space group, with a unit cell parameter of 10.1769 Å, whereas BiYO3 displayed a fluorite structure in the Fm-3m space group, with a unit cell parameter of 5.4222 Å. The Mossbauer spectrum of Tm2FeSbO7 showed that Fe3+ ions might locate at octahedral sites. The measured bandgap widths for the TBHP, Tm2FeSbO7, and BiYO3 were 2.14 eV, 2.21 eV, and 2.30 eV, respectively. Multiple experimental results demonstrated that the TBHP exhibited a higher valence band ionization potential, a narrower band gap width, and a higher removal efficiency of the sulfamethoxazole (SMX) compared with the Dy2TmSbO7/BiHoO3 heterojunction photocatalyst. Under visible-light irradiation (VISLI) of 115 min, the TBHP showcased exceptional photocatalytic elimination performance; therefore, the elimination rate of the SMX and the total organic carbon (TOC) mineralization rate reached 99.51% and 98.10%, respectively. In contrast to single-component Tm2FeSbO7, BiYO3, or conventional nitrogen-doped titanium dioxide (N-TiO2) catalyst, the TBHP exhibited removal efficiency enhancement for degrading the SMX by 1.17 times, 1.31 times, or 4.06 times. Simultaneously, the matching mineralization rate for removing the TOC density by employing the TBHP was 1.20 times, 1.34 times, or 4.73 times higher than that by employing Tm2FeSbO7, BiYO3, or conventional N-TiO2. Above experimental results indicated that the mineralization efficiency for removing TOC density by employing the TBHP was higher than that by employing Tm2FeSbO7, BiYO3, or N-TiO2. Radicals trapping experiments and the electron paramagnetic resonance spectroscopy results revealed that hydroxyl radicals, superoxide anions, and photoinduced holes were the primary active species during the catalytic elimination course of the SMX by employing the TBHP under VISLI. The results demonstrated that the direct Z-scheme TBHP, which was developed in this study, exhibited the maximal removal efficiency for degrading the SMX in contrast to Tm2FeSbO7, BiYO3, or N-TiO2. Additionally, the possible elimination routes and elimination mechanisms of the SMX were proposed. Therefore, an important scientific foundation for developing high-performance heterojunction catalysts was established. Full article
(This article belongs to the Special Issue Metal-Based Photocatalysts: From Synthesis to Applications)
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15 pages, 2959 KB  
Article
Synergistic Coupling of Intrinsic Internal Electric Field and Macroscopic Polarization in a Photocatalytic Fuel Cell for Efficient Antibiotic Degradation
by Xicheng Li, Bicheng Ji, Jiajie Bao, Jiuwei Wu and Changzheng Wang
Nanomaterials 2026, 16(6), 354; https://doi.org/10.3390/nano16060354 - 13 Mar 2026
Viewed by 295
Abstract
The concurrent challenges of environmental pollution and energy scarcity necessitate advanced sustainable technologies. Photocatalytic fuel cells (PFCs) offer a promising route by coupling pollutant degradation with energy recovery. However, the synergistic interplay between anode intrinsic properties and macroscopic polarization effects remains inadequately understood. [...] Read more.
The concurrent challenges of environmental pollution and energy scarcity necessitate advanced sustainable technologies. Photocatalytic fuel cells (PFCs) offer a promising route by coupling pollutant degradation with energy recovery. However, the synergistic interplay between anode intrinsic properties and macroscopic polarization effects remains inadequately understood. Herein, a BiOBr-doped TiO2 nanotube array photoanode with engineered oxygen vacancies was developed to construct a synergistically enhanced PFC system. XPS, EPR, and DFT analyses confirm the formation of oxygen vacancies and favorable band bending, inducing an internal electric field that markedly promotes charge separation and interfacial reaction kinetics. As a result, the charge separation efficiency is enhanced by approximately fourfold relative to pristine TiO2 nanotube arrays. Under the combined action of the internal electric field and self-bias-induced polarization field, photogenerated electrons and holes undergo directional transport and effective utilization. The optimized PFC achieves 78% sulfamethoxazole degradation within 180 min, representing a 1.38-fold improvement. Degradation pathways and toxicity evolution were further elucidated using LC–MS and Fukui function analysis, highlighting the critical role of electric field-driven charge regulation in high-performance PFCs. Full article
(This article belongs to the Section Environmental Nanoscience and Nanotechnology)
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17 pages, 1980 KB  
Article
Effect of Mn Addition on the Mechanical Properties and Ferroelectric Behavior of Bi0.5Na0.5TiO3 and 94(Bi0.5Na0.5TiO3)–6(BaTiO3) Ceramics
by Adriana Gallegos-Melgar, Jan Mayen and Maricruz Hernandez-Hernandez
Materials 2026, 19(6), 1092; https://doi.org/10.3390/ma19061092 - 12 Mar 2026
Viewed by 228
Abstract
The effect of Mn addition on the structural, dielectric, ferroelectric, and mechanical properties of Bi0.5Na0.5TiO3 (BNT) and 0.94(Bi0.5Na0.5TiO3)–0.06(BaTiO3) (BNT–BT) ceramics was systematically investigated under identical processing conditions. Powders were calcined [...] Read more.
The effect of Mn addition on the structural, dielectric, ferroelectric, and mechanical properties of Bi0.5Na0.5TiO3 (BNT) and 0.94(Bi0.5Na0.5TiO3)–0.06(BaTiO3) (BNT–BT) ceramics was systematically investigated under identical processing conditions. Powders were calcined at 750 °C for 2 h and 900 °C for 2 h, followed by sintering at 1060 °C for 5 h. Mn contents of 0.5 and 5 mol% were selected to represent low-level substitution and near-saturation regimes. XRD confirmed single-phase perovskite formation within laboratory detection limits, while Raman spectroscopy revealed Mn-induced lattice distortions. Low Mn addition (0.5 mol%) enhanced densification and improved remanent polarization in BNT–BT (Pr = 33.5 μC/cm2). In contrast, 5 mol% Mn promoted grain coarsening, increased porosity, and reduced functional performance. Mechanical properties evaluated using two-parameter Weibull statistics showed composition-dependent variations in characteristic hardness and elastic modulus. The results demonstrate that Mn-doping effects depend strongly on both dopant concentration and host-lattice structural state, distinguishing beneficial substitution from defect-saturation behavior in lead-free BNT-based ceramics. Full article
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12 pages, 11597 KB  
Communication
Preparation, Biocompatibility, and In Vitro Bioactivity of High-Entropy Bio-Piezoelectric Ceramics
by Huaizhang Gu, Yuanxun Li, Yunfei Kai and Xiaojuan Shang
Materials 2026, 19(5), 1015; https://doi.org/10.3390/ma19051015 - 6 Mar 2026
Viewed by 411
Abstract
A high-entropy strategy has emerged as a promising approach to enhance the functional properties of piezoelectric ceramics for biomedical applications. For this reason, we have designed two novel high-entropy ceramics, (Bi1/2Na1/2)(Zr1/3Sn1/3Ti1/3)O3(BNZST) [...] Read more.
A high-entropy strategy has emerged as a promising approach to enhance the functional properties of piezoelectric ceramics for biomedical applications. For this reason, we have designed two novel high-entropy ceramics, (Bi1/2Na1/2)(Zr1/3Sn1/3Ti1/3)O3(BNZST) and (Bi1/2Na1/2)(Zr1/4Sn1/4Hf1/4Ti1/4)O3(BNZSHT), which were synthesized via a two-step solid-state reaction. The phase structure, surface morphology, biocompatibility, and in vitro bioactivity were assessed. The results showed both ceramics adopted perovskite structures. BNZST and BNZSHT ceramics had relatively even crystallite sizes and element distribution, as well as achieving piezoelectric (d33 ≥ 78 pC/N) properties. In vitro tests confirmed a high relative cell growth rate (RSG, >80%) after co-culturing BNZST or BNZSHT ceramic with murine fibroblasts L929 for more than 3 days. In particular, the surface with electric charge enhanced L929 with more extensive, widespread, and dense proliferation for the BNZST ceramic compared to ceramics without BNZST or unpolarized BNZST. The above indicated that multi-element doping and entropy stabilization established a novel pathway for developing a high-entropy bio-piezoelectric ceramics with high biocompatibility and bioactivity, providing the possibility for their use in bone repair materials. Full article
(This article belongs to the Section Advanced and Functional Ceramics and Glasses)
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23 pages, 3735 KB  
Article
Hole and Electron Transport Layer Optimization for Highly Efficient Lead-Free MASnI2Br Perovskite Solar Cells: A Simulation Study
by Ahmed N. M. Alahmadi
Crystals 2026, 16(3), 174; https://doi.org/10.3390/cryst16030174 - 4 Mar 2026
Viewed by 387
Abstract
Lead-free perovskite solar cells have become attractive as they are more environmentally friendly than their lead-based counterparts. Among these lead-free perovskite materials is MASnI2Br, which has attracted considerable attention due to its environmentally friendly advantages and beneficial optoelectronic properties. However, further [...] Read more.
Lead-free perovskite solar cells have become attractive as they are more environmentally friendly than their lead-based counterparts. Among these lead-free perovskite materials is MASnI2Br, which has attracted considerable attention due to its environmentally friendly advantages and beneficial optoelectronic properties. However, further enhancement is required in order to improve the power conversion efficiencies. In this study, an MASnI2Br-based perovsdkite solar cell is designed and optimized using SCAPS-1D simulations. An extensive iterative simulation approach is carried out to optimize critical parameters such as electron affinity, energy bandgap, layer thickness and doping concentration for both transport layers. In addition, the thickness of the MASnI2Br absorbing layer is optimized. With the improved device setup, the maximum achievable power conversion efficiency is 24%. Furthermore, by matching the optimized electronic structure with realistic transport materials, CBTS and TiO2 are identified as suitable hole and electron transport layers, respectively. The proposed TiO2/MASnI2Br/CBTS perovskite solar cell has a power conversion efficiency of about 23.6%. Full article
(This article belongs to the Section Materials for Energy Applications)
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12 pages, 1470 KB  
Article
Zwitterionic Functionalized Negatively Charged Hydrogel/Ti6Al4V Alloy with Superior Lubrication Performance
by Lingling Cui, Guang Ji, Tongchun Qin, Zhiwei Li, Yan Sheng, Haiqin Ding and Guodong Jia
Coatings 2026, 16(3), 297; https://doi.org/10.3390/coatings16030297 - 28 Feb 2026
Viewed by 281
Abstract
Traditional artificial joints mainly face the challenges of severe wear and aseptic loosening, which limits their application as joint bearing interfaces under high-stress loading conditions. To improve this problem, inspired by the gradient modulus structure of natural cartilage/subchondral bone and the inherent negative [...] Read more.
Traditional artificial joints mainly face the challenges of severe wear and aseptic loosening, which limits their application as joint bearing interfaces under high-stress loading conditions. To improve this problem, inspired by the gradient modulus structure of natural cartilage/subchondral bone and the inherent negative charge characteristics of the surface, a negatively charged hydrogel layer was adhered to a porous Ti6Al4V surface through a combination of ultraviolet irradiation and freeze–thaw cycles. The cross-sectional SEM image exhibited that the hydrogel layer was closely bonded to the hard substrate. After physical doping with SBMA, the lubrication performance of the composite bearing interface was significantly improved, primarily attributable to the biphasic lubrication of the hydrogel layer and the hydration lubrication mechanism of SBMA. Full article
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14 pages, 17964 KB  
Article
Effect of Ti Doping on the Grain Boundary Phases in Sintered Nd-Ce-Fe-B and Its Influence on the Diffusion Behavior of Heavy Rare Earth Dy
by Lisheng Ye, Huanmao Yao, Quan Fang, Tongxiang Liang and Lei Wang
Materials 2026, 19(5), 916; https://doi.org/10.3390/ma19050916 - 27 Feb 2026
Cited by 1 | Viewed by 304
Abstract
This study addresses the issue of rare earth (RE) resource wastage caused by the aggregation of the commonly used diffusion source, Dy, at the triangular grain boundary region during grain boundary diffusion (GBD). The approach involves Ti doping to refine the grain size [...] Read more.
This study addresses the issue of rare earth (RE) resource wastage caused by the aggregation of the commonly used diffusion source, Dy, at the triangular grain boundary region during grain boundary diffusion (GBD). The approach involves Ti doping to refine the grain size and increase the volume fraction of RE6Fe13Ga, thereby improving the efficiency of Dy utilization. The results show that when 0.2 wt% Ti is doped, Dy diffusion is applied to the magnet, and the magnet achieves excellent magnetic properties, with Br = 14.03 kGs, Hcj = 20.24 kOe, Q = 0.96, and (BH)max = 47.15 MGOe. The coercivity shows an enhancement of 8.66 kOe compared to the pristine magnet. Research and analysis indicate that doping Ti into the magnet promotes the formation of the RE6Fe13Ga phase, leading to the creation of continuous thin grain boundaries that weaken the exchange coupling between adjacent grains. Additionally, the presence of RE6Fe13Ga suppresses the segregation of Dy in the RE-rich phases, encouraging its further incorporation into the main phase and improving Dy utilization. This study demonstrates that appropriate Ti doping can effectively optimize Dy distribution within the magnet, reduce its aggregation in the triangular grain boundary region, and promote its incorporation into the main phase. This significantly reduces the amount of Dy required and provides a feasible approach to enhancing the efficiency of heavy rare earth resource utilization, thereby offering a path to the design of high-performance GBD magnets. Full article
(This article belongs to the Section Metals and Alloys)
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