Pub Date : 2026-01-01Epub Date: 2025-12-31DOI: 10.1016/j.jmat.2025.101160
Kunihito Koumoto, Dario Narducci, Prashun Gorai
{"title":"Disruptive new concepts in thermoelectricity","authors":"Kunihito Koumoto, Dario Narducci, Prashun Gorai","doi":"10.1016/j.jmat.2025.101160","DOIUrl":"10.1016/j.jmat.2025.101160","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101160"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145894282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-06-18DOI: 10.1016/j.jmat.2025.101100
Saiya Liu , Wenjia Gu , Chunyang Zhang , Kejian Lu , Fei Xue , Maochang Liu
d-band center engineering in metal phosphide offers promising avenues to improve hydrogen evolution reaction (HER) activity through electronic modulation. However, precise d-band regulation via theoretically feasible double heteroatom modification remains challenging. This work demonstrates a ternary metal phosphide (Fe0.5V0.5NiP) engineered through Fe/V integration to optimize the d-band center of nickel phosphide (Ni2P). Combined experimental and theoretical analyses reveal that Fe and V synergistically shift the d-band center closer to the Fermi level, thereby balancing absorption/desorption of HER intermediates. Notably, V significantly reduces water dissociation energy barriers, while FeV cooperation optimizes hydrogen-adsorption Gibbs free energy. The Fe0.5V0.5NiP achieves exceptional alkaline HER performance, delivering overpotentials of 67.9 mV (10 mA/cm2) and 203.1 mV (100 mA/cm2) in 1 mol/L KOH, surpassing the benchmark Pt/C. Remarkably, it maintains stability for 100 consecutive hours without degradation. This work provides atomic-level insights on dual-heteroatom modified d-band tuning and establishes a rational design paradigm for high-performance metal phosphide electrocatalyst.
{"title":"Solid-solution-tuned d-band center boosts alkaline hydrogen evolution","authors":"Saiya Liu , Wenjia Gu , Chunyang Zhang , Kejian Lu , Fei Xue , Maochang Liu","doi":"10.1016/j.jmat.2025.101100","DOIUrl":"10.1016/j.jmat.2025.101100","url":null,"abstract":"<div><div>d-band center engineering in metal phosphide offers promising avenues to improve hydrogen evolution reaction (HER) activity through electronic modulation. However, precise d-band regulation <em>via</em> theoretically feasible double heteroatom modification remains challenging. This work demonstrates a ternary metal phosphide (Fe<sub>0.5</sub>V<sub>0.5</sub>NiP) engineered through Fe/V integration to optimize the d-band center of nickel phosphide (Ni<sub>2</sub>P). Combined experimental and theoretical analyses reveal that Fe and V synergistically shift the d-band center closer to the Fermi level, thereby balancing absorption/desorption of HER intermediates. Notably, V significantly reduces water dissociation energy barriers, while Fe<img>V cooperation optimizes hydrogen-adsorption Gibbs free energy. The Fe<sub>0.5</sub>V<sub>0.5</sub>NiP achieves exceptional alkaline HER performance, delivering overpotentials of 67.9 mV (10 mA/cm<sup>2</sup>) and 203.1 mV (100 mA/cm<sup>2</sup>) in 1 mol/L KOH, surpassing the benchmark Pt/C. Remarkably, it maintains stability for 100 consecutive hours without degradation. This work provides atomic-level insights on dual-heteroatom modified d-band tuning and establishes a rational design paradigm for high-performance metal phosphide electrocatalyst.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101100"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144329269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-10-01DOI: 10.1016/j.jmat.2025.101130
Yingying Yu , Fanyi Meng , Cheng Yang , Linda Qi , Changhao Zhao , Bo Wu , Mao-Hua Zhang
Understanding the atomic-scale structural dynamics that enable ultrahigh piezoelectric responses in lead-free piezoceramics remains a central challenge in materials science. Here, we employ in situ electric field pair distribution function (PDF) analysis to elucidate the local structural origin of a KNN-based piezoceramic with a nominal composition of 0.964K0.5Na0.5Nb0.965Sb0.035O3–0.03(Bi0.5Na0.5)0.9(Ga0.5Li0.5)0.1ZrO3–0.006BiFeO3 that has an exceptional piezoelectricity coefficient (d33 > 500 pC/N). Combined Rietveld refinement, PDF fitting, and reverse Monte Carlo simulations revealed the coexistence of long-range tetragonal and orthorhombic phases with local c-type monoclinic symmetry. In situ electric field PDF analyses indicated a reversible polarization rotation between the <001>PC and <110>PC directions via a monoclinic plane, with a critical switching field of approximately 0.4 kV/mm. These findings establish polarization rotation, rather than abrupt phase transitions, as the governing mechanism for the enhanced piezoresponse, providing a structural design principle for next-generation lead-free piezoelectrics.
{"title":"Polarization rotation in high-performance KNN-based piezoceramics revealed by an in situ electric field pair distribution function","authors":"Yingying Yu , Fanyi Meng , Cheng Yang , Linda Qi , Changhao Zhao , Bo Wu , Mao-Hua Zhang","doi":"10.1016/j.jmat.2025.101130","DOIUrl":"10.1016/j.jmat.2025.101130","url":null,"abstract":"<div><div>Understanding the atomic-scale structural dynamics that enable ultrahigh piezoelectric responses in lead-free piezoceramics remains a central challenge in materials science. Here, we employ <em>in situ</em> electric field pair distribution function (PDF) analysis to elucidate the local structural origin of a KNN-based piezoceramic with a nominal composition of 0.964K<sub>0.5</sub>Na<sub>0.5</sub>Nb<sub>0.965</sub>Sb<sub>0.035</sub>O<sub>3</sub>–0.03(Bi<sub>0.5</sub>Na<sub>0.5</sub>)<sub>0.9</sub>(Ga<sub>0.5</sub>Li<sub>0.5</sub>)<sub>0.1</sub>ZrO<sub>3</sub>–0.006BiFeO<sub>3</sub> that has an exceptional piezoelectricity coefficient (<em>d</em><sub>33</sub> > 500 pC/N). Combined Rietveld refinement, PDF fitting, and reverse Monte Carlo simulations revealed the coexistence of long-range tetragonal and orthorhombic phases with local c-type monoclinic symmetry. <em>In situ</em> electric field PDF analyses indicated a reversible polarization rotation between the <001><sub>PC</sub> and <110><sub>PC</sub> directions <em>via</em> a monoclinic plane, with a critical switching field of approximately 0.4 kV/mm. These findings establish polarization rotation, rather than abrupt phase transitions, as the governing mechanism for the enhanced piezoresponse, providing a structural design principle for next-generation lead-free piezoelectrics.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101130"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-07-05DOI: 10.1016/j.jmat.2025.101106
Abdullah Al Mahmud , Ramaraj Sukanya , Raj Karthik , Deivasigamani Ranjith Kumar , Carmel B. Breslin , Jae-Jin Shim
Two-dimensional transition metal dichalcogenides (TMDs) have attracted interest as efficient electrocatalysts for water splitting. Among them, molybdenum diselenide (MoSe2) exhibits promising activity due to its exposed active edge sites and favorable electronic properties. However, its performance is restricted by an inert basal plane and low conductivity. To address these limitations, metal doping and interface engineering were employed to tailor the lattice, electronic, and surface characteristics of MoSe2. In this study, Ni-, Co-, and Mn-doped MoSe2 and molybdenum carbide (Mo2C) heterostructures were synthesized via a hydrothermal method and characterized using XRD, SEM, XPS, TEM, and EDS. Ni-doped MoSe2/Mo2C demonstrated the best bifunctional electrocatalytic performance, with overpotentials of 470 mV for OER and 290 mV for HER, representinga 5%–30% improvement over Co- and Mn-doped samples and a 38%–53% enhancement compared to undoped MoSe2/Mo2C. The corresponding Tafel slopes of 159 mV/dec (OER) and 97 mV/dec (HER) indicated accelerated reaction kinetics. High double-layer capacitance and electrochemical surface area values confirmed the improved catalytic activity. These results demonstrate that metal doping and interface modulation significantly enhance the electrocatalytic efficiency, stability, and durability of MoSe2/Mo2C heterostructures, demonstrating Ni-doped MoSe2/Mo2C as a promising bifunctional catalyst for water splitting.
{"title":"Synergistic promotion and enhanced water splitting in Mn, Co, Ni-doped MoSe2/Mo2C heterostructures via doping and interface engineering","authors":"Abdullah Al Mahmud , Ramaraj Sukanya , Raj Karthik , Deivasigamani Ranjith Kumar , Carmel B. Breslin , Jae-Jin Shim","doi":"10.1016/j.jmat.2025.101106","DOIUrl":"10.1016/j.jmat.2025.101106","url":null,"abstract":"<div><div>Two-dimensional transition metal dichalcogenides (TMDs) have attracted interest as efficient electrocatalysts for water splitting. Among them, molybdenum diselenide (MoSe<sub>2</sub>) exhibits promising activity due to its exposed active edge sites and favorable electronic properties. However, its performance is restricted by an inert basal plane and low conductivity. To address these limitations, metal doping and interface engineering were employed to tailor the lattice, electronic, and surface characteristics of MoSe<sub>2</sub>. In this study, Ni-, Co-, and Mn-doped MoSe<sub>2</sub> and molybdenum carbide (Mo<sub>2</sub>C) heterostructures were synthesized via a hydrothermal method and characterized using XRD, SEM, XPS, TEM, and EDS. Ni-doped MoSe<sub>2</sub>/Mo<sub>2</sub>C demonstrated the best bifunctional electrocatalytic performance, with overpotentials of 470 mV for OER and 290 mV for HER, representinga 5%–30% improvement over Co- and Mn-doped samples and a 38%–53% enhancement compared to undoped MoSe<sub>2</sub>/Mo<sub>2</sub>C. The corresponding Tafel slopes of 159 mV/dec (OER) and 97 mV/dec (HER) indicated accelerated reaction kinetics. High double-layer capacitance and electrochemical surface area values confirmed the improved catalytic activity. These results demonstrate that metal doping and interface modulation significantly enhance the electrocatalytic efficiency, stability, and durability of MoSe<sub>2</sub>/Mo<sub>2</sub>C heterostructures, demonstrating Ni-doped MoSe<sub>2</sub>/Mo<sub>2</sub>C as a promising bifunctional catalyst for water splitting.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101106"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144565704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-08-14DOI: 10.1016/j.jmat.2025.101115
Jiang-Hu Yu , Yu Wang , Chong-Yu Wang , Hao Liang , Yi-Lin Liu , Ze-Yuan Yang , Yi-Xin Zhang , Jing Feng , Zhen-Hua Ge
The extensive utilization of thermoelectric (TE) conversion technology necessitates stricter performance requirements for bismuth telluride (Bi2Te3)-based commercial materials. Despite the numerous optimization methods available for Bi2Te3-based materials, each optimization method has a certain upper limitation, and combining multiple strategies can achieve the optimal thermoelectric figure of merit (zT). In this study, the thermoelectric properties of (Bi,Sb)2Te3 materials are enhanced through the combined use of the heavy element Pb to regulate carrier concentration and the In element to optimize the band structure. Notably, indium (In) can suppress p-type antisite defects, which generate abundant Te vacancies, and help regulate the carrier concentration to its optimal level. This co-doping strategy achieves optimal carrier concentration, thereby enhancing the power factor (PF = 4.57 × 103 μW⸱m−1⸱K−2), and generating abundant dislocations, the presence of the rich nano-second phase Sb2O3 contributes to reduced lattice thermal conductivity. Consequently, a peak zT value of 1.41 at 323 K and a high average zT value of 1.23 between 300 K and 500 K are achieved. Additionally, two pairs of thermoelectric modules, composed of p-type (Bi0.42Sb1.58)0.994(In, Pb)0.006Te3 and zone-melted n-type Bi2Te2.7Se0.3, demonstrate a conversion efficiency of 7.3% at a temperature difference of 250 K. This underscores the promising potential of these thermoelectric modules in commercialization. Thus, this study demonstrates the feasibility of combining multiple strategies and is expected to provide a potential reference for other thermoelectric systems.
{"title":"Highly enhanced thermoelectric performance in (In, Pb) co-doped BiSbTe alloys via synergistic modulation of carrier concentration and band structure","authors":"Jiang-Hu Yu , Yu Wang , Chong-Yu Wang , Hao Liang , Yi-Lin Liu , Ze-Yuan Yang , Yi-Xin Zhang , Jing Feng , Zhen-Hua Ge","doi":"10.1016/j.jmat.2025.101115","DOIUrl":"10.1016/j.jmat.2025.101115","url":null,"abstract":"<div><div>The extensive utilization of thermoelectric (TE) conversion technology necessitates stricter performance requirements for bismuth telluride (Bi<sub>2</sub>Te<sub>3</sub>)-based commercial materials. Despite the numerous optimization methods available for Bi<sub>2</sub>Te<sub>3</sub>-based materials, each optimization method has a certain upper limitation, and combining multiple strategies can achieve the optimal thermoelectric figure of merit (<em>zT</em>). In this study, the thermoelectric properties of (Bi,Sb)<sub>2</sub>Te<sub>3</sub> materials are enhanced through the combined use of the heavy element Pb to regulate carrier concentration and the In element to optimize the band structure. Notably, indium (In) can suppress p-type antisite defects, which generate abundant Te vacancies, and help regulate the carrier concentration to its optimal level. This co-doping strategy achieves optimal carrier concentration, thereby enhancing the power factor (PF = 4.57 × 10<sup>3</sup> μW⸱m<sup>−1</sup>⸱K<sup>−2</sup>), and generating abundant dislocations, the presence of the rich nano-second phase Sb<sub>2</sub>O<sub>3</sub> contributes to reduced lattice thermal conductivity. Consequently, a peak <em>zT</em> value of 1.41 at 323 K and a high average <em>zT</em> value of 1.23 between 300 K and 500 K are achieved. Additionally, two pairs of thermoelectric modules, composed of p-type (Bi<sub>0.42</sub>Sb<sub>1.58</sub>)<sub>0.994</sub>(In, Pb)<sub>0.006</sub>Te<sub>3</sub> and zone-melted n-type Bi<sub>2</sub>Te<sub>2.7</sub>Se<sub>0.3</sub>, demonstrate a conversion efficiency of 7.3% at a temperature difference of 250 K. This underscores the promising potential of these thermoelectric modules in commercialization. Thus, this study demonstrates the feasibility of combining multiple strategies and is expected to provide a potential reference for other thermoelectric systems.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101115"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144851563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
As research on lead−free energy storage materials advances, high−performance substrates and their modification methods have been continuously explored. In NaNbO3–based energy storage ceramics, low polarization limits the enhancement of energy storage performance. This study utilized defect engineering design to prepare (1–x)NaNbO3-xSr(Fe1/3Sb2/3)O3 ceramics with core–shell structure through a Fe/Sb dual oxidation state variable element synergistic regulation strategy. The goal is to enhance ΔP and optimize Eb of ceramics by adjusting the content of vacancy defects and phase structure, so that ceramics can achieving high energy storage characteristics. A Wrec of 6.4 J/cm3 and η of 80% at 645 kV/cm were achieved in NaNbO3–based ceramic. Additionally, based on this study, we performed a detailed analysis of the origin of high ΔP and the influence of defect structures on Eb, with the aim of providing a new reference for development and research of high–performance lead–free energy storage ceramics.
{"title":"Defect-engineered core-shell structured NaNbO3-based energy storage ceramics","authors":"Qinpeng Dong, Yu Zhang, Yue Pan, Jiangping Huang, Xiuli Chen, Xu Li, Huanfu Zhou","doi":"10.1016/j.jmat.2025.101097","DOIUrl":"10.1016/j.jmat.2025.101097","url":null,"abstract":"<div><div>As research on lead−free energy storage materials advances, high−performance substrates and their modification methods have been continuously explored. In NaNbO<sub>3</sub>–based energy storage ceramics, low polarization limits the enhancement of energy storage performance. This study utilized defect engineering design to prepare (1–<em>x</em>)NaNbO<sub>3</sub>-<em>x</em>Sr(Fe<sub>1/3</sub>Sb<sub>2/3</sub>)O<sub>3</sub> ceramics with core–shell structure through a Fe/Sb dual oxidation state variable element synergistic regulation strategy. The goal is to enhance Δ<em>P</em> and optimize <em>E</em><sub>b</sub> of ceramics by adjusting the content of vacancy defects and phase structure, so that ceramics can achieving high energy storage characteristics. A <em>W</em><sub>rec</sub> of 6.4 J/cm<sup>3</sup> and <em>η</em> of 80% at 645 kV/cm were achieved in NaNbO<sub>3</sub>–based ceramic. Additionally, based on this study, we performed a detailed analysis of the origin of high Δ<em>P</em> and the influence of defect structures on <em>E</em><sub>b</sub>, with the aim of providing a new reference for development and research of high–performance lead–free energy storage ceramics.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101097"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144288297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-11-13DOI: 10.1016/j.jmat.2025.101146
Kun Hu , Luohong Si , Jie Gao , Lei Miao , Sijing Zhu , Shiyuan Zhao , Jun-Liang Chen , Jianhua Zhou , Kunihito Koumoto
Flexible thermoelectric generators (f-TEGs) have emerged as among the most promising candidates to address the persistent energy supply challenges associated with wearable electronics. To achieve practical applications of inorganic π-shaped f-TEGs rapidly requires enhancing their output power density, which represents the primary and pivotal objective. This review distills three main factors that govern output power density, namely, the power factor of thermoelectric materials, the geometric and packaging configurations of f-TEGs, as well as the effective temperature gradient across the f-TEGs. Further, the principal optimization strategies adopted for these factors over recent years are outlined. The strategies encompass approaches such as carrier concentration modulation, carrier scattering mechanism regulation, and energy band engineering to enhance the power factor, finite element simulations and numerical computations for optimizing geometric structure and packaging, and the integration of hydrogels and phase change materials into flexible heat sinks to establish and maintain sufficiently large temperature differences. Additionally, the discussion extends to the flexibility of inorganic materials and generators themselves. Finally, the concluding section addresses the challenges and critical issues confronting the development of flexible thermoelectric materials and generators.
{"title":"Toward inorganic flexible π-shaped thermoelectric generators with high output power density: From materials to devices","authors":"Kun Hu , Luohong Si , Jie Gao , Lei Miao , Sijing Zhu , Shiyuan Zhao , Jun-Liang Chen , Jianhua Zhou , Kunihito Koumoto","doi":"10.1016/j.jmat.2025.101146","DOIUrl":"10.1016/j.jmat.2025.101146","url":null,"abstract":"<div><div>Flexible thermoelectric generators (f-TEGs) have emerged as among the most promising candidates to address the persistent energy supply challenges associated with wearable electronics. To achieve practical applications of inorganic π-shaped f-TEGs rapidly requires enhancing their output power density, which represents the primary and pivotal objective. This review distills three main factors that govern output power density, namely, the power factor of thermoelectric materials, the geometric and packaging configurations of f-TEGs, as well as the effective temperature gradient across the f-TEGs. Further, the principal optimization strategies adopted for these factors over recent years are outlined. The strategies encompass approaches such as carrier concentration modulation, carrier scattering mechanism regulation, and energy band engineering to enhance the power factor, finite element simulations and numerical computations for optimizing geometric structure and packaging, and the integration of hydrogels and phase change materials into flexible heat sinks to establish and maintain sufficiently large temperature differences. Additionally, the discussion extends to the flexibility of inorganic materials and generators themselves. Finally, the concluding section addresses the challenges and critical issues confronting the development of flexible thermoelectric materials and generators.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101146"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145498566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-07-09DOI: 10.1016/j.jmat.2025.101107
Amei Zhang , Wanchang Man , Ruiyi Jing , Hongping Hou , Yule Yang , Leiyang Zhang , Hongliang Du , Li Jin
Developing high-performance lead-free electrostrain materials is key to advancing next-generation electromechanical technologies. Here we report an aliovalent co-doping strategy in (Bi0.5Na0.5)TiO3-based (BNT-based) ceramics, where simultaneous A-site (Li+) and B-site (Nb5+) co-doping yields (1−x)Bi0.5(Na0.81K0.19)0.5TiO3-xLiNbO3 (BNKT-xLN, x= 0.01–0.04) compositions. The aliovalent substitution disrupts long-range ferroelectric order, enhances lattice distortion, and promotes a relaxor-like state with diffuse phase transitions and strong dielectric dispersion. Complementary polarization–electric field (P–E) and strain–electric field (S–E) measurements demonstrate a progressive evolution from classical ferroelectrisc to nonergodic relaxor behavior as the doping level increases. The optimized composition at x = 0.02 exhibits a large reversible electrostrain of approximately 0.55% associated with a temperature-driven reversible phase transition. Notably, BNKT-xLN ceramics achieve electric-field-induced polarizations exceeding 50 μC/cm2, while exhibiting a relatively low electrostrictive coefficient Q33 of ∼0.018 m4/C2, suggesting their potential as energy storage matrices due to the weak polarization–strain coupling effect. These results underscore the importance of aliovalent co-doping strategy in modulating the energy landscape of BNT-based systems, offering a viable strategy for developing high-strain, lead-free electroceramics suited to next-generation actuators and energy storage devices.
{"title":"Aliovalent co-doping induces relaxor states with enhanced electrostrain in BNT-based ceramics","authors":"Amei Zhang , Wanchang Man , Ruiyi Jing , Hongping Hou , Yule Yang , Leiyang Zhang , Hongliang Du , Li Jin","doi":"10.1016/j.jmat.2025.101107","DOIUrl":"10.1016/j.jmat.2025.101107","url":null,"abstract":"<div><div>Developing high-performance lead-free electrostrain materials is key to advancing next-generation electromechanical technologies. Here we report an aliovalent co-doping strategy in (Bi<sub>0.5</sub>Na<sub>0.5</sub>)TiO<sub>3</sub>-based (BNT-based) ceramics, where simultaneous A-site (Li<sup>+</sup>) and B-site (Nb<sup>5+</sup>) co-doping yields (1−<em>x</em>)Bi<sub>0.5</sub>(Na<sub>0.81</sub>K<sub>0.19</sub>)<sub>0.5</sub>TiO<sub>3</sub>-<em>x</em>LiNbO<sub>3</sub> (BNKT-<em>x</em>LN, <em>x</em>= 0.01–0.04) compositions. The aliovalent substitution disrupts long-range ferroelectric order, enhances lattice distortion, and promotes a relaxor-like state with diffuse phase transitions and strong dielectric dispersion. Complementary polarization–electric field (<em>P</em>–<em>E</em>) and strain–electric field (<em>S</em>–<em>E</em>) measurements demonstrate a progressive evolution from classical ferroelectrisc to nonergodic relaxor behavior as the doping level increases. The optimized composition at <em>x</em> = 0.02 exhibits a large reversible electrostrain of approximately 0.55% associated with a temperature-driven reversible phase transition. Notably, BNKT-<em>x</em>LN ceramics achieve electric-field-induced polarizations exceeding 50 μC/cm<sup>2</sup>, while exhibiting a relatively low electrostrictive coefficient <em>Q</em><sub>33</sub> of ∼0.018 m<sup>4</sup>/C<sup>2</sup>, suggesting their potential as energy storage matrices due to the weak polarization–strain coupling effect. These results underscore the importance of aliovalent co-doping strategy in modulating the energy landscape of BNT-based systems, offering a viable strategy for developing high-strain, lead-free electroceramics suited to next-generation actuators and energy storage devices.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101107"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144586851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-08-06DOI: 10.1016/j.jmat.2025.101112
Wanyu Li, Keqiang Zhang, Zijian Zhang, Yingjie Feng, Chunlei Wan
The inherent brittleness and unpredictable catastrophic fracture of ceramic materials significantly limit their reliability in engineering applications, necessitating innovative approaches to enhance energy absorption capacity and cyclic load tolerance for structural components. This study presents a novel strategy for fabricating high-strength and cyclically-stable Al2O3/polymer composites through digital light processing (DLP) 3D printing of triply periodic minimal surface (TPMS) architectures combined with polymer infiltration. Mechanical characterization revealed exceptional quasi-static compressive strength of (201.9 ± 13.2) MPa coupled with remarkable energy absorption capacity reaching (40.1 ± 0.8) MJ/m3. The synergistic combination of TPMS structural design and extrinsic polymer toughening mechanisms induced progressive failure patterns characterized by extensive crack deflection and controlled interfacial debonding. Notably, the architected composites demonstrated outstanding cyclic durability, sustaining over 100 cycles at 60% and 70% maximum stress levels while maintaining 73 cycles at 80% stress level. Mechanical analysis attributed this performance enhancement to the polymer matrix's dual role in stress redistribution and energy dissipation accumulation during cyclic loading. This bioinspired structural design paradigm effectively addresses traditional ceramics' brittleness limitations, demonstrating significant potential for engineering applications in extreme environments requiring damage tolerance and load cycling reliability.
{"title":"Damage tolerance and cyclic stability of 3D-architected Al2O3/polymer composites","authors":"Wanyu Li, Keqiang Zhang, Zijian Zhang, Yingjie Feng, Chunlei Wan","doi":"10.1016/j.jmat.2025.101112","DOIUrl":"10.1016/j.jmat.2025.101112","url":null,"abstract":"<div><div>The inherent brittleness and unpredictable catastrophic fracture of ceramic materials significantly limit their reliability in engineering applications, necessitating innovative approaches to enhance energy absorption capacity and cyclic load tolerance for structural components. This study presents a novel strategy for fabricating high-strength and cyclically-stable Al<sub>2</sub>O<sub>3</sub>/polymer composites through digital light processing (DLP) 3D printing of triply periodic minimal surface (TPMS) architectures combined with polymer infiltration. Mechanical characterization revealed exceptional quasi-static compressive strength of (201.9 ± 13.2) MPa coupled with remarkable energy absorption capacity reaching (40.1 ± 0.8) MJ/m<sup>3</sup>. The synergistic combination of TPMS structural design and extrinsic polymer toughening mechanisms induced progressive failure patterns characterized by extensive crack deflection and controlled interfacial debonding. Notably, the architected composites demonstrated outstanding cyclic durability, sustaining over 100 cycles at 60% and 70% maximum stress levels while maintaining 73 cycles at 80% stress level. Mechanical analysis attributed this performance enhancement to the polymer matrix's dual role in stress redistribution and energy dissipation accumulation during cyclic loading. This bioinspired structural design paradigm effectively addresses traditional ceramics' brittleness limitations, demonstrating significant potential for engineering applications in extreme environments requiring damage tolerance and load cycling reliability.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101112"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144787515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-08-06DOI: 10.1016/j.jmat.2025.101113
Quanlong Liu , Yanxia Zhang , Runjie Wang , Xiurong Feng , Lei Zhang , Yan Liu , Zhehong Tang , Fei Guo , Jieyu Chen , Yuchen Ye , Yunpeng Zhou
A new type of lead-free dielectric film capacitor with high energy density and rapid charge-discharge performance under a low and medium applied electric field is essential for electrical and electronic systems. Herein, we propose an efficient and straightforward approach to enhance the energy storage performance of the Aurivillius Bi5Ti3FeO15 film through intercalation strategy. The insertion of BiAlO3 units, which have a weak domain-forming potential, into the Bi5Ti3FeO15 matrix establishes an ergodic relaxor. This modification further increases the difference between the maximum polarization and the remanent polarization. Under 1500 kV/cm, the Bi6Ti3FeAlO18 film exhibits an excellent energy storage density of 67.5 J/cm3, along with a high energy storage efficiency of 75.5%. This leads to an exceptionally high energy storage response coefficient, which surpasses those of most dielectric films. Furthermore, the Bi6Ti3FeAlO18 film exhibits outstanding thermal stability within a temperature range of −30 °C–150 °C, commendable frequency stability from 0.05 kHz to 20.00 kHz, and remarkable fatigue resistance after 1 × 108 cycles. This study investigates a potential lead-free material suitable for low-electric-field-driven capacitors and also lays a foundation for developing Aurivillius-type lead-free high-energy-storage applications at low and medium electric fields through intercalation strategy.
{"title":"Intercalation strategy induced superior energy storage performance in Aurivillius Bi6Ti3FeAlO18 film under low and medium electric fields","authors":"Quanlong Liu , Yanxia Zhang , Runjie Wang , Xiurong Feng , Lei Zhang , Yan Liu , Zhehong Tang , Fei Guo , Jieyu Chen , Yuchen Ye , Yunpeng Zhou","doi":"10.1016/j.jmat.2025.101113","DOIUrl":"10.1016/j.jmat.2025.101113","url":null,"abstract":"<div><div>A new type of lead-free dielectric film capacitor with high energy density and rapid charge-discharge performance under a low and medium applied electric field is essential for electrical and electronic systems. Herein, we propose an efficient and straightforward approach to enhance the energy storage performance of the Aurivillius Bi<sub>5</sub>Ti<sub>3</sub>FeO<sub>15</sub> film through intercalation strategy. The insertion of BiAlO<sub>3</sub> units, which have a weak domain-forming potential, into the Bi<sub>5</sub>Ti<sub>3</sub>FeO<sub>15</sub> matrix establishes an ergodic relaxor. This modification further increases the difference between the maximum polarization and the remanent polarization. Under 1500 kV/cm, the Bi<sub>6</sub>Ti<sub>3</sub>FeAlO<sub>18</sub> film exhibits an excellent energy storage density of 67.5 J/cm<sup>3</sup>, along with a high energy storage efficiency of 75.5%. This leads to an exceptionally high energy storage response coefficient, which surpasses those of most dielectric films. Furthermore, the Bi<sub>6</sub>Ti<sub>3</sub>FeAlO<sub>18</sub> film exhibits outstanding thermal stability within a temperature range of −30 °C–150 °C, commendable frequency stability from 0.05 kHz to 20.00 kHz, and remarkable fatigue resistance after 1 × 10<sup>8</sup> cycles. This study investigates a potential lead-free material suitable for low-electric-field-driven capacitors and also lays a foundation for developing Aurivillius-type lead-free high-energy-storage applications at low and medium electric fields through intercalation strategy.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101113"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144787552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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