The advancement of communication technologies demands dielectric materials with superior performance characteristics, particularly low permittivity and minimal dielectric loss. This study investigates Ge⁴⁺-substituted willemite ceramics, including Zn₂Si_1-xGe_xO₄ (ZS-xGe, x=0 and 0.1) and Zn_1.8Si_1-yGe_yO_3.8 (ZS-yGe, y=0 to 0.3), synthesized via the conventional solid-state method. The non-stoichiometric design effectively suppresses the formation of ZnO. The intrinsic and extrinsic losses of the ZS-xGe ceramics are separated by a systematic comparative analysis of the dielectric losses in the terahertz band, and the extrinsic losses are fitted by the Drude term in the Lorentz-Drude dielectric response model. Consequently, ZS-yGe ceramics exhibit lower ε_r and significantly improved Q×f values across microwave to terahertz band. In ZnO-free ceramics, Ge⁴⁺ substitution enhances the ionic polarizability, the unit cell volume and the bond strain, increasing ε_r and Q×f values (decreasing intrinsic losses), and decreasing τ_f. The optimized Zn_1.8Si_0.9Ge_0.1O_3.8 ceramics demonstrate superior dielectric properties with ε_r = 6.66, Q×f = 225,500 GHz and τ_f = -60.0 × 10^-6℃^-1 at 12.45 GHz, and ε_r = 7.02, Q×f = 401,800 GHz at 1 THz. These novel ceramics are positioned as promising candidates for next-generation microwave and terahertz communication devices.

In this study, we propose grain boundary engineering and nanostructuring to enhance the thermo-electric performance of SnTe through tri-doping with Mn, Ge, and Bi. The synergistic effects on the band structure were analyzed through DFT calculations and validated through a series of doping experiments with each dopant. The nonstoichiometrically tri-doped sample exhibits a unique microstructure, characterized by Mn-Ge precipitates along the grain boundaries and coherently embedded nanostructures within the matrix. These microstructural features, combined with the effects of each dopant, synergistically enhanced the thermoelectric properties, yielding a maximum zT of 1.32 at 873 K. The thermoelectric generator exhibited a maximum output power of 661 μW at ΔT = 485 K, confirming its viability for mid-temperature thermoelectric applications.

Tuning the structure-activity of fillers and matrix is crucial for designing polymer-based dielectric capacitors with high energy storage performance. Up to date, how the fillers' structural characteristics (surface/interface configurations, dimensions, orientations etc.) contribute to the overall energy storage is far from unveiled. To this end, a combined filler-polymer dual-side design strategy is developed, which involves the DFT guidance for the electronic transport criteria for the designable synthesis of KNb₃O₈ fillers. Four different structural configurations are constructed, which are surface-modified with polydopamine (PDA) to fabricate the final composite films, i.e. PDA@KNb₃O₈/PVDF-P(VDF-HFP)-PMMA with particular orientations and arrangements, through a well-controlled solution casting method. Comprehensive structural and electrical investigations reveal that 1D/2D-orientated PDA@KNb₃O₈ fillers could obviously enhance the breakdown field and energy storage performance. The difference is that the 1D fillers more effectively improve the energy efficiency (up to 72%), while the 2D fillers more steadily achieve high energy density (U_e = 28.35 J/cm³) among the highest U_e reported for the composites. This work not only uncovers the structural origin of the electrostatic storage in inorganic-polymer composite films but also provides critical insights in designing high-energy-density film capacitors.

The exploitation of high-entropy rare-earth monosilicates (HEREMSs) with enhanced calcium-magnesium-aluminum-silicate (CMAS) corrosion resistance is vital for their potential applications as environmental barrier coatings (EBCs). Here, we present an inverse design strategy to explore HEREMSs with superior CMAS corrosion resistance. By high-throughput synthesis and dissolution experiments of equimolar 1-12-cation apatite powders at 1400 ℃, four optimized rare-earth elements, Lu, Yb, Er, and Nd, are determined to compositionally screen preferable high-entropy apatite with the lowest dissolution rate in CMAS melt, ultimately facilitating the inversely design of novel (Nd_2/15Er_3/5Yb_2/15Lu_2/15)₂SiO₅ (HEREMS-1). Further CMAS corrosion experiments have verified its superior CMAS corrosion resistance at temperatures up to 1500 ℃, exceeding the performance of previously reported EBC materials. Our work paves an alternative way for developing HEREMSs with exceptional CMAS corrosion resistance, making them highly suitable for future EBC applications.

Directional thermal transport materials enable anisotropic heat flow, thereby enhancing the efficiency of thermal management systems. These materials have found broad applications in aerospace, electronics, and automotive industries. Silicon carbide (SiC) based composites, with their exceptional properties including high modulus, thermal stability, and superior thermal conductivity, serve as an ideal structural material. Strategic manipulation over microstructure and composition enables directional thermal management, expanding applicability in thermal management and achieving structural-functional integration. By combining selective laser printing with precursor impregnation and pyrolysis (PIP), this work presents an innovative approach to fabricating thermally anisotropic C_f/SiC composites that integrate both structural and functional properties. The optimized composite (20% (in volume) chopped C_f) exhibited high fiber alignment (f_p = 0.7677) and pronounced thermal anisotropy, with thermal conductivities of 70.14 W/(m·K) perpendicular and 38.87 W/(m·K) parallel to the printing plane (anisotropy ratio: 1.8). This directional heat transport, enabled by fiber orientation and phonon scattering control, is critical for advanced thermal management. The composite also maintained good mechanical strength, exhibiting a flexural strength of (150.4 ± 9.8) MPa parallel to the printing plane, finalizing in a structural and functional integration.

To meet the demands of miniaturization and integration in modern electronic packaging, developing materials with low coefficient of thermal expansion (CTE) is essential to reduce thermal stress and enhance device reliability. In this study, the dense negative thermal expansion ceramic ScF₃ was prepared with a CTE of -8.86 × 10^-6/℃. The ScF₃ ceramic was cold sintered at 150 ^℃, exhibiting a low permittivity of 5.3 and a high quality factor (Q×f) of 14,700 GHz. By incorporating ScF₃ to the hexagonal boron nitride (BN) ceramic, the CTE of ScF₃-BN composite ceramic was adjusted to 3.36 × 10^-6/℃, establishing compatibility with silicon-based chips. And finite element simulations verified that ScF₃-BN composite significantly reduces thermal stress compared to Li₂MoO₄ or Al₂O₃ ceramics. Furthermore, this work demonstrates the potential of cold-sintered ScF₃ to regulate thermal expansion in packaging substrates, paving the way for improved performance in next-generation electronic devices.

Ultra-high temperature ceramics (UHTCs) exhibit ultra-high melting points and relatively high mechanical performance, making them ideal coating materials for extreme environment applications like hypersonic vehicles. Recently, novel design strategies of UHTCs coatings have been proposed, mainly including the composition and structural design. In this article, state-of-the-art approaches including multilayer and gradient UHTC coatings for enhanced mechanical and ablation resistance, surface engineering for the improvement of coating adhesion, materials and microstructural design for thermal insulation, laser ablation protection, and drag reduction were reviewed. Furthermore, advanced designing and fabrication techniques for UHTC coatings are also prospected, which can provide insights for the development of next-generation multi-functional UHTC coatings for harsh conditions.

Density Functional Theory (DFT)-derived electronic descriptors are key to accelerating the design of effective ORR/OER catalysts. The O 2p-band center, in particular, is a robust descriptor of catalytic activity in perovskite oxides. This study examines the O 2p-band center in Fe⁴⁺ perovskite-type layered oxides, focusing on the Ruddlesden Popper (RP) phases Sr₂FeO₄ and Sr₃Fe₂O₇, as well as the high-Tc superconductor YSr₂Cu₂FeO₈. The analysis emphasizes trends driven by compositional modifications. The O 2p-band centers of Sr_2-2xLa_2xFeO₄ and Sr_3-3xLa_3xFe₂O₇ (0 < x < 1) correlate linearly with the Fe oxidation state, and span a wide energy range (-1.2 eV to -4.7 eV with PBE+U; -1.9 eV to -4.7 eV with SCAN). Partial substitution of Fe with 3d transition metals (TM) in Sr₂Fe_7/8xM_1/8O₄ shifts the O 2p band center, with the more electronegative TMs bringing it closer to the Fermi level. RP-Sr₂FeO₄ exhibits remarkable tunability of the O 2p-band center, enabling the compositionally driven design of oxygen catalysts with potentially improved activity-stability balance. In contrast, YSr₂Cu₂FeO_7+δ (0 < δ < 1) shows no correlation between the O 2p-band center and Fe oxidation states, likely due to a change in Fe coordination from octahedral (δ = 1) to tetrahedral (δ = 0). The O 2p-center values (-0.9 eV to -1.3 eV with PBE+U; -1.5 eV to -2 eV with SCAN) suggest that YSr₂Cu₂FeO_7+δ could potentially catalyze the ORR/OER, though stability over operation time remains a challenge.

Defect engineering is a key strategy for optimizing the thermoelectric (TE) properties of PbTe-based materials, and investigating charged defects in PbTe grain boundaries (GBs) is crucial for understanding its thermoelectric properties. In this study, focusing the GBs, we perform a high-throughput investigation of the formation energies with various charged point (intrinsic and extrinsic) defects and their effects on the mechanical properties, the shear modulus. The GBs can facilitate the formation of the charged point defects (such as , ), indicating the accumulations of the defects within the GBs region. Such defect accumulation can strongly increase the phonon scatterings. Furthermore, charge defects within Te-PbTe GBs lower the shear modulus to <33.1 GPa, due to the weakening interactions between Pb-Te bonds. The soft bonds around GBs will induce the stronger anharmonicity and further suppress the lattice thermal conductivity. Employing the machine learning method, we establish the relationship between the shear modulus and physical descriptors, which can efficiently screen or design the various purposes of PbTe compounds. Our work bridges the gap in understanding charged defects at grain boundaries in PbTe-based thermoelectric materials and giving rise to the design methodology to achieve high promising thermoelectric performance through charged defect influenced mechanical properties.

The utilization of hybrid ion batteries (HIBs) effectively reduces the consumption of scarce Li resources and harnesses the synergistic effect of mixed ions to achieve performance comparable to that of lithium-ion batteries. However, there is currently a lack of anode materials that possess both high safety and excellent performance for HIBs. Herein, we present a novel structure of enclosed hard carbon nanotubes (HCNTs) doped with high levels of nitrogen and oxygen as anodes for HIBs. When utilized in Li-Na-K HIBs, they exhibit superior reversible capacity (440.1 mA·h·g^-1 at 100 mA/g) and enhanced rate performance (327.7 mA·h·g^-1 at 1 A/g) compared to single alkali metal ion batteries. These improvements can be attributed to the design of a one-dimensional structure that features highly doped hard carbon, which significantly enhances carrier transport. Furthermore, first-principles calculations reveal the synergistic effect of hybrid ions in nitrogen-doped hard carbon nanotubes, enhancing the ion adsorption stability in the carbon layer. This study introduces a substantial anode material for HIBs and expands the scope from binary to ternary HIB systems.

Strain engineering has emerged as a powerful strategy for tailoring the ferroelectric properties and interfacial charge transport behaviors in complex oxide heterostructures. However, the underlying coupling mechanisms between strain-induced polarization reversal and defect-mediated barrier modulation remain in-depth understanding. In this study, controllable strain gradients are introduced through the use of intermediate layers to simultaneously manipulate the polarization orientation of BaTiO₃ thin films and modulate interfacial barrier properties. We systematically investigate the interplay among strain states, polarization behavior, and oxygen vacancy dynamics. Opposing strain states induce distinct polarization orientations in BaTiO₃, as confirmed by phase reversal and local hysteresis loops. Vacuum annealing is employed to tune the overall oxygen vacancy concentration, while flexoelectric field induced by strain gradient governs the migration and spatial distribution of vacancies. Compressive and tensile strains respectively drive oxygen vacancy accumulation near the surface or at the bottom interface, thereby modulating the Schottky barrier height and associated rectifying behavior. These results reveal a synergistic mechanism whereby flexoelectric polarization and strain-driven redistribution of oxygen vacancy cooperatively regulate charge transport in ferroelectric heterostructures.

In this work, Mn_xZn_1-xFe₂O₄ (MZF) ferrite and MXene (Ti₃C₂T_x) composites were addressed to enhance the electrochemical performance. MXene is a relatively new material belonging to the 2D layered family and is mainly used to enhance the electrochemical features of electrode materials. The incorporation of MZF material acts as a conductive bridge, affecting the structural stability and electrochemical features of Ti₃C₂T_x MXene. MZF nanoparticles were embedded with Ti₃C₂T_x MXene to develop a hybrid MXene@MZF₁ electrode composite. The structural formation of composites was investigated using Raman spectroscopy, XRD, SEM, EDX, TEM, and XPS. The electrochemical examination of the prepared composite revealed a significant increase in specific capacitance. The (MXene)₇₅(Mn_0.05Zn_0.95Fe₂O₄)₂5 electrode material was exposed to a gravimetric specific capacitance of 646.9 F/g at a scanning rate of 5 mV/s. Moreover, an asymmetric supercapacitor (ASC) device was constructed, achieving a specific energy of approximately 47 W·h·kg^-1 and a power density of 4937.1 W/kg, respectively. An excellent capacitance retention of 128.9% and coulombic efficiency of 99% were observed after 6000 GCD duty cycles. This study confirmed the good stability of the MXene@MZF₁ electrode compound after experimental and theoretical investigations. Therefore, MXene-based MZF₁ electrode materials enhanced electrochemical properties and improved cyclic durability for the ASC device.

As promising dielectric alternatives to SiO₂, hafnium-based oxides show broad application prospects in integrated circuits, dielectric sensors, and optoelectronics. Nevertheless, stabilizing the T-phase with a high dielectric constant (high-κ) and further improving its κ value remain key challenges for practical applications. Using first-principles calculations, we reveal the dielectric enhancement mechanism in the T-phase HfO₂ by demonstrating that the high-κ primarily originates from the softening of phonon vibration frequencies, which can be effectively tuned by bond length and atomic mass. Furthermore, we find that doping atoms with lower electronegativity form stronger ionic interactions with O atoms, favoring the stabilization of the high-coordination T-phase. Based on these analyses, we propose a general design rule: doping atoms with remarkable size, heavy mass, and small electronegativity could effectively improve high-κ and stabilize the T-phase simultaneously. Guided by this rule, a more promising Ce-doping strategy in HfO₂ than Zr-doping is proposed, which is also supported by some experimental results. This work not only delves into the physical mechanism of the high-κ in hafnium-based oxides, but also provides practical methods to enhance their dielectric constants.

Digital light processing (DLP) printing of PbZrTiO₃ (PZT) ceramics is significantly hampered by the inherent high light absorption of the powder, leading to detrimental defects such as shrinkage and cracking, which severely compromise the final sensor performance. Herein, we propose a strategy to modulate the light absorption of PZT powder by mixing compositions calcined at different temperatures. By optimizing the mass ratio of P860 to P1150 to 1:9, we achieved a suspension with enhanced curing depth and rheological properties, enabling the fabrication of high-density ceramics with a piezoelectric constant of 470 pC/N. Furthermore, a sophisticated sandwiched piezoelectric sensor, architected with crossed square columns, demonstrated exceptional electromechanical performance, generating an open-circuit voltage of 278 V and a short-circuit current of 2.19 μA. This design conferred a piezoelectric sensitivity approximately 7 times greater than bulk counterparts. Remarkably, despite its compact size of merely 1.3 cm × 1.3 cm, this sensor still achieves a transmission power of 5.2 mW during underwater remote energy transfer over a distance of 400 mm. This work establishes a viable pathway for fabricating next-generation high-performance PZT piezoelectric sensors via advanced DLP processing.

Complex lead-based perovskites with the general formula Pb(B_x'B_1-x")O₃, represent an important class of antiferroelectrics beyond the prototypical PbZrO₃ and NaNbO₃. Depending on the combination of Bsite species and the degree of cationic ordering, these materials exhibit a wide range of ferroic behaviors, spanning from antiferroelectric to (relaxor) ferroelectric responses. In this study, we investigate (Pb_1-xBa_x)(Yb_1/2Nb_1/2)O₃ polycrystals synthesized via a two-step processing route. Despite displaying antiferroelectric, ferroelectric, or nearly linear dielectric behavior at room temperature, all compositions exhibit double polarization hysteresis loops in proximity to a lower-temperature dielectric anomaly. This dielectric anomaly originates from the competition between antipolar and nanoscale polar regions, and shifts towards lower temperature with increasing Ba content, reflecting the suppression of long-range antiferroelectric ordering. Notably, a composition-invariant temperature scale, T*, is identified and associated with the onset of static correlations among nanoscale polar entities, consistent with behavior reported in other complex Pb-based relaxor ferroelectrics. Superlattice reflections arising from antiparallel Pb²⁺ displacements persist above T*, suggesting an intricate cation-ordering landscape requiring further investigation. These findings underscore the coexistence and competition of polar and antipolar instabilities in complex lead-based perovskites, and their pronounced sensitivity to chemical substitution, thermal fluctuations, and external electric fields.

Aromatic polyimide (PI) with high glass transition temperature (T_g) shows promise as a polymer dielectric for energy storage, but its rigid aromatic structure and electron delocalization cause significant conduction loss, degrading energy storage performance and breakdown strength (E_b) under high temperatures. Herein, we introduce a novel semi-alicyclic fluorinated polyimide (H-FPI) designed via a molecular engineering strategy that synergistically integrates bandgap and topological conformation modulation. Specifically, the alicyclic group elevates the lowest unoccupied molecular orbital (LUMO) while strong electron-withdrawing trifluoromethyl (-CF₃) substitution depresses the highest occupied molecular orbital (HOMO), creating a wide bandgap (4.2 eV). Concurrently, the chair-conformation alicyclic backbone and sterically bulky -CF₃ groups synergistically disrupt molecular planarity, reducing π-orbital overlap to suppress charge transfer while restricting chain mobility to yield a high T_g of 272 ℃. Remarkably, H-FPI film delivers a high energy density of 6.02 J/cm³ with a superior breakdown strength of 626 MV/m at 200 ℃, surpassing commercial PI and fluorinated polyimide (FPI) by 1261% and 55%, respectively. Furthermore, H-FPI film exhibits exceptional capacitor charge-discharge cyclability, enhanced mechanical robustness, and excellent thermal stability. This work establishes a new molecular design paradigm for organic capacitors in electrffied transportation and smart grid systems requiring high-temperature working reliability.

Polymer/Si hybrid solar cells have attracted much research interest in virtue of their simple device structure and combination of flexibility and stability. Metal grid by thermal evaporation is usually used as the top electrode, which gives rise to a tradeoff between the efficient coverage and the decreased light absorption, in addition to the costly metal deposition in high vacuum. Carbon nanotube (CNT) networks possess both good conductivity and high light transmittance, thus is a promising candidate for the top electrode. Although it is significant to prepare and apply large-area and high-quality CNT films with high transparency and low sheet resistances into kinds of solar cells, CNTs have not been studied as transparent electrodes in polymer/Si hybrid solar cells to the best of our knowledge. In this work, largearea and continuous CNT networks with 86% transmittance at 550 nm are synthesized and used as transparent window electrodes in the hybrid heterojunction solar cells composed of a conjugate polymer poly(3,4-ethylenedioxy-thiophene):poly(styrenesulfonate) (PEDOT:PSS) and micro-textured ntype crystalline silicon wafers. Directly laminating the pristine CNT film onto the PEDOT:PSS/Si surface can lead to a power conversion efficiency (PCE) of 3.9%. After purification of CNT networks, the performance is improved up to 7.0%, due to the efficient carrier transportation and light harvesting of CNT electrodes. The results indicate that the flexible and transparent CNT networks have great potential for realizing metal grid-free hybrid polymer/Si solar cells.

Transparent thermoelectric CdO thin films exhibit critical flexibility and thermoelectric performance that require focused research to advance flexible transparent self-powered devices. Here, we demonstrate the superior flexibility of freestanding single-crystalline CdO membranes. These membranes achieve a notable room-temperature power factor of 1.48 μW·cm^-1·K^-2 and exhibit superior optical transmittance exceeding 94% in the 550-800 nm range. Crucially, freestanding CdO exhibits exceptional mechanical robustness, retaining >90% electrical conductivity after 1000 bending cycles (radius: 11.5 mm). Microstructure analyses confirm polycrystalline CdO films suffer from grain boundary cracking under bending due to stress concentration, but single-crystal CdO membranes-without grain boundaries to concentrate stress-exhibit better flexibility and resistance to cracking. Furthermore, curvature-induced strain boosts the power factor by 12.8%, providing a curvature-controlled strain engineering strategy to optimize flexible thermoelectric performance. This work establishes free-standing CdO as a highly efficient and flexible thermoelectric material and suggests a fundamental strategy for designing robust smart materials for transparent, self-powered flexible electronics.

The development of high-performance lead-free energy storage capacitors is crucial for sustainable technologies, yet hindered in NaNbO₃-based antiferroelectric (AFE) ceramics because of significant polarization hysteresis from field-induced AFE-ferroelectric (FE) phase transitions. This hysteresis fundamentally limits the simultaneous optimization of recoverable energy density (W_rec) and efficiency (η). Herein, we demonstrate that lamellar nanodomain engineering via compositional design in a (0.87-x)NaNbO₃-0.13Bi_0.5Na_0.5TiO₃-xBi(Mg_0.5Ti_0.5)O₃ system effectively overcomes this bottleneck. The optimized composition (x = 0.05) delivers exceptional energy storage performance with a W_rec of ~8.2 J/cm³, a η of ~88.9%, and a power density of ~207 MW/cm³. Analysis on multiscale structure evolution reveals that this compositional tuning induces a phase transformation from AFE P to AFE R symmetry, accompanied by an enhanced local structural disorder. Critically, the formation of lamellar AFE R-phase nanodomains with width ranging from 2 nm to 6 nm drives a quasi-linear polarization response with minimal hysteresis. Concurrently, the refined grain size improves the ceramic resistivity, substantially enhancing dielectric breakdown strength. These synergistic effects collectively yield outstanding energy storage properties, demonstrating that engineering lamellar AFE R-phase nanodomains is an efficient strategy to optimize overall energy storage performance of NaNbO₃-based materials.

Flexible and transparent strain sensors with high sensitivity were fabricated by embedding hybrid networks of carbon nanotubes (CNTs) and carbon (C) nanoparticles into micro-mesh polydimethylsiloxane (PDMS) substrates. The resulting devices exhibited optical transmittance above 70% and haze below 7%, ensuring unobtrusive integration on skin. Systematic variation of CNT:C ratios (0:1, 1:1, 2:1, 3:1) revealed that the 2:1 hybrid achieved optimal performance, combining uniform dispersion, strong interfacial adhesion, and robust conductive pathways. The optimized device (S2-PDMS) demonstrated a maximum gauge factor of 465.35 at 32.5% strain, and reliable cycling stability for repeatability of stretching, bending, and twisting deformations. Mechanical tests confirmed high tensile strength (2.63 MPa) and durability under repeated deformation, outperforming polyethylene terephthalate (PET)-based counterparts. The sensor also exhibited response times in the range of~158-557 ms and recovery times between ~110 ms and 697 ms, depending on the type and complexity of the human motion. As such, the sensors successfully monitored diverse human motions, subtle muscle activity, and vocal vibrations, and enabled wireless data transmission via Bluetooth, underscoring their potential for real-time health monitoring, human-machine interfaces, and Internet of Things-enabled wearable electronics.

Lithium-sulfur batteries (LSBs) exhibit high energy density and high theoretical specific capacity, approximately one order of magnitude higher than traditional lithium-ion batteries. However, the shuttling effect of lithium polysulfides (LiPSs) generated during the charge-discharge process severely compromises battery performance and hinders commercialization. In this paper, a 3D porous carbon gel sulfur host, M@rGO-PCG (M = Ni, Co), composed of transition metal particles and redox graphene, was fabricated through gelation and freeze-drying techniques. This material enhances the conductivity of the cathode, buffers the volume expansion of the electrode, and further accelerates the catalytic conversion of LiPSs. The assembled Ni@rGO-PCG/S and Co@rGO-PCG/S batteries deliver initial discharge specific capacities of 1390.0 mA·h·g^-1 and 1603.6 mA·h·g^-1 at a current rate of 0.1C, respectively. The findings provide valuable insights into the synergistic suppression of the shuttling effect through multiple functions.

A series of (Sr_0.4Ce_0.4)TiO₃ + 4% (in mass) Sr₂CeO₄ + x% B₂O₃ (SCTO + 4% SCO + x% B₂O₃ for 1≤ x ≤ 5) composites were synthesized via solid-state reaction to investigate the effects of Sr₂CeO₄ and B₂O₃ additives on their structural evolution and microwave dielectric properties. X-ray diffraction (XRD) and Rietveld refinement confirmed the dominant orthorhombic phase (O-phase), with SCO as a secondary phase, indicating a chemically stable composite system. HRTEM and SAED analyses further confirmed the formation of the O-phase through direct observation of the superlattice reflections. Microstructural evolution demonstrated B₂O₃-assisted liquid-phase sintering, reducing porosity (0.017 → 0.006) and increasing grain size (3.34 → 6.01 μm) with increasing x% (in mass). Raman spectroscopy verified octahedral tilting and Ce-O stretching, while B₂O₃ incorporation modified the TiO₆ network via BO₃/BO₄ interactions. The ε_r decreased from 113 (SCTO) to 27 at x = 5%, while τ_f improved from +213 to +12 × 10^-6/℃. The reduction in ε_r arises from a complex interplay of internal factors (ionic polarizability) and external factors (porosity, and density), whereas the variation in τ_f is governed by compensating effects from Sr₂CeO₄ and B₂O₃. Optimal microwave performance was achieved at x = 5%, with Q×f = 43,603 GHz, ε_r = 27, and τ_f of +12 × 10^-6/℃. The study demonstrates that SCO and B₂O₃ act as effective modifiers, enhancing densification and dielectric properties in SCTO-based microwave ceramics.

BiFeO₃-BaTiO₃ lead-free piezoelectric ceramics exhibit superior piezoelectric properties while preserving a high Curie temperature. However, given the inherent Gibbs free energy law of BiFeO₃, the system is difficult to avoid heterogeneous phases such as Bi₂₅FeO₃₉ and/or Bi₂Fe₄O₉, which are accompanied by the volatilization of Bi³⁺ and the change of Fe³⁺, resulting in low insulating properties and high dielectric loss. These factors hinder the enhancement of polarizability and the overall performance at elevated temperatures and electric field conditions. The present study focuses on a highly leaky 0.75BiFeO₃-0.25BaTiO₃ ceramic, in which the Fe content is deliberately designed to be both severely excessive and deficient, and is prepared using a one-step low-temperature sintering process. It is noteworthy that the structural stability and defect suppression, even in this challenging system, are achieved via the one-step low-temperature sintering. This samples exhibit a distinctive self-tuning property and an excellent stability over a wide compositional range. First-principles density functional theory calculations and XPS analysis have for the first time confirmed that suppressing oxygen vacancies and Fe³⁺ valence states can reduce the concentration and mobility of hole carriers, thereby effectively reducing leakage current, with the mechanism shifting from ohmic conduction to space-charge-limited conduction. Even under the extreme compositional conditions of x = ± 5 and a low sintering temperature, the piezoelectric coefficients d₃₃ reach 132 pC/N and 110 pC/N, respectively. These are significantly higher than those of the most stoichiometric 0.75BiFeO₃-0.25BaTiO₃ counterparts, setting a new performance record.

Chemical doping represents a crucial and effective approach for controlling electricity and also many other properties, but the underlying mechanisms connecting dopant-induced structural evolutions to emergent functionalities remain incompletely understood. To address this knowledge gap, the atomiclevel mechanism of the enhanced electric polarization in a typical perovskite ferroelectric oxide BiFeO₃ (BFO) is unveiled. B-site Mn-dopping, with bringing about atomic-level lattice and charge evolutions, clearly accelerates the local lattice distortion i.e. enhanced Fe/Mn displacement and (Fe/Mn)O₆ octahedral rotation. This facilitates large-scale polarization orientation alignment to create the enhanced collective polarity while manifesting an overall ferroelectric polarization of up to ~160 μC/cm². Local lattice distortion also promotes the Jahn-Teller effect because of the increasing proportion in Mn³⁺ (3d⁴ configuration) that could instigate symmetry-breaking stretching and bending distortions of (Fe/Mn)O₆ octahedra with showing improved magnetic moments. Our findings uncover the ferroelectricity-enhanced origination and offer a new paradigm for principally designing ferroelectric functions.

Over the past decade, the field of high-entropy ceramics (HECs) has expanded rapidly to encompass a broad range of oxides, borides, silicides, and other ceramic solid solutions. In 2020, we proposed extending HECs to compositionally complex ceramics (CCCs), where non-equimolar compositions and the presence of long- or short-range order, although reducing configurational entropy, create new opportunities to tailor and enhance properties, often surpassing those of higher-entropy counterparts. Along these lines, several fundamental scientific questions arise. Is the entropy in HECs truly high? Is maximizing entropy always desirable? In this perspective article, I revisit key concepts and terminologies and highlight emerging directions, including dual-phase CCCs, ultrahigh-entropy phases, and novel processing routes such as ultrafast reactive sintering. I propose that exploring compositional complexity across vast non-equimolar spaces, together with exploiting correlated disorder (coupled chemical and structural short-range order), represents a transformative strategy for designing ceramics with superior performance.

Data-driven approaches are attracting wide attention in the field of materials science due to their capacity to unravel complex structure-activity relationships deriving from nonlinear interplay of materials properties across multiple scales. However, unlocking their potential in materials discovery and design requires addressing two main challenges: multi-disciplinary knowledge barriers across the entire materials data lifecycle (acquisition, processing, and analysis), and the absence of an infrastructure that can accommodate the continuous proliferation of data volume, algorithms, and models. Here, we propose a multirole collaborative and co-constructive materials design ecosystem that restructures both the productive forces and the relations of production in materials design. By establishing a structured division of labor and a customized materials design infrastructure with a workflow system that decouples control and data flows, our framework reduces inter-module dependencies and enables the flexible, scalable integration of heterogeneous resources. A case study on electrochemical storage materials design demonstrates that this approach can improve streamlined collaborative efficiency by at least 50%, highlighting its potential to accelerate materials design. This work establishes a new paradigm for building intelligent materials design platforms, characterized by dynamic composability instead of static integration, thereby fostering an open and sustainable ecosystem for future materials discovery.