• Xuewen Jiang , Wei Wang , Aiwen Xie , Ziyi Tang , Ao Tian , Xin Gao , Xiaokuo Er , Liqiang Liu , Ruzhong Zuo
    Journal of Materiomics. 2026, 12(2): 101154 .

    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 (Wrec) and efficiency (η). Herein, we demonstrate that lamellar nanodomain engineering via compositional design in a (0.87-x)NaNbO3-0.13Bi0.5Na0.5TiO3-xBi(Mg0.5Ti0.5)O3 system effectively overcomes this bottleneck. The optimized composition (x = 0.05) delivers exceptional energy storage performance with a Wrec 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.

  • Shuoyan Liu , Jiufeng Dong , Liang Sun , Zizhao Pan , Yujuan Niu , Yani Lu , Yuqi Liu , Hong Wang
    Journal of Materiomics. 2026, 12(2): 101151 .

    Aromatic polyimide (PI) with high glass transition temperature (Tg) 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 (Eb) 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 Tg 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.

  • Donghyun Shin , U. Sandhya Shenoy , Hyejeong Choi , Joseph Ngugi Kahiu , Eun-Ji Meang , Kwi-Il Park , Kwan-Ho Park , D. Krishna Bhat , Ho Seong Lee
    Journal of Materiomics. 2026, 12(2): 101119 .

    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.

  • Tauqeer Ahmad , Wen Lei , Burhan Ullah , Wen-zhong Lu
    Journal of Materiomics. 2026, 12(2): 101157 .

    A series of (Sr0.4Ce0.4)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 εr decreased from 113 (SCTO) to 27 at x = 5%, while τf improved from +213 to +12 × 10-6/℃. The reduction in εr arises from a complex interplay of internal factors (ionic polarizability) and external factors (porosity, and density), whereas the variation in τf is governed by compensating effects from Sr2CeO4 and B2O3. Optimal microwave performance was achieved at x = 5%, with Q×f = 43,603 GHz, εr = 27, and τf 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.

  • Zexia Zhang , Yi Jia , Qian Lv , Ruitao Lv , Feiyu Kang
    Journal of Materiomics. 2026, 12(2): 101152 .

    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.

  • M. Elena Arroyo-de Dompablo , Marianela Gomez-Toledo
    Journal of Materiomics. 2026, 12(2): 101128 .

    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 Sr2-2xLa2xFeO4 and Sr3-3xLa3xFe2O7 (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 Sr2Fe7/8xM1/8O4 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, YSr2Cu2FeO7+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 YSr2Cu2FeO7+δ could potentially catalyze the ORR/OER, though stability over operation time remains a challenge.

  • Qing Li , Wei Deng , Tian-Ci Ma , Changhao Zhao , Mupeng Zheng , Lei Zhao , Qiong Wu , Chaofeng Wu , Fang-Zhou Yao , Wen Gong , Dragan Damjanovic , Mao-Hua Zhang
    Journal of Materiomics. 2026, 12(2): 101150 .

    Complex lead-based perovskites with the general formula Pb(Bx'B1-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 (Pb1-xBax)(Yb1/2Nb1/2)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.

  • Huisheng Tian , Yan Zhou , Jie Yin , Buhao Zhang , Li Wang , Jiayi Geng , Zhengren Huang
    Journal of Materiomics. 2026, 12(2): 101124 .

    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 Cf/SiC composites that integrate both structural and functional properties. The optimized composite (20% (in volume) chopped Cf) exhibited high fiber alignment (fp = 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.

  • Xingkun Ning , Yongmao Ran , Jiaying Han , Linjie Gao , Shufang Wang
    Journal of Materiomics. 2026, 12(2): 101153 .

    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.

  • Yanfei Liu , Ruize Zhang , Shaopu Liu , Jieliang Zhao , Xiaojun Tang , Yanbo Liu
    Journal of Materiomics. 2026, 12(2): 101127 .

    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.

More