Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101117
Mingyue Yang , Liangyu Mo , Jincheng Qin , Faqiang Zhang , Mingsheng Ma , Yongxiang Li , Zhifu Liu
The temperature coefficient of resonance frequency (τf or TCF) is the key parameter for evaluating temperature stability of microwave dielectric ceramics. In this work, a machine learning framework was proposed to predict the τf values of ABO3-type microwave dielectric ceramics. Leveraging a curated dataset of 104 single-phase ABO3-type compounds, we systematically evaluated models based on five machine learning algorithms using 31 structural descriptors as input features. The eXtreme Gradient Boosting (XGB) algorithm emerged as the optimal predictive model, demonstrating robust performance on the test set (R2 = 0.7799, RMSE = 15.7494 × 10−6 °C−1). Consistent results on the validation set further confirmed its generalization capability. Critical features contributing to the model's performance include molecular dielectric polarizability (pm), tolerance factor (tt), ionic volume (Vi) and relative molecular mass (m). Structure-property relationship studies revealed that the pm plays an important role in modulating the τf value by affecting the permittivity. Quantitative thresholds for these critical descriptors were also derived for identifying materials with near-zero τf. This work provides an effective data-driven approach for accelerating the discovery of microwave dielectric ceramics with good temperature stability.
{"title":"Machine learning assisted τf value prediction of ABO3-type microwave dielectric ceramics","authors":"Mingyue Yang , Liangyu Mo , Jincheng Qin , Faqiang Zhang , Mingsheng Ma , Yongxiang Li , Zhifu Liu","doi":"10.1016/j.jmat.2025.101117","DOIUrl":"10.1016/j.jmat.2025.101117","url":null,"abstract":"<div><div>The temperature coefficient of resonance frequency (<em>τ</em><sub>f</sub> or TCF) is the key parameter for evaluating temperature stability of microwave dielectric ceramics. In this work, a machine learning framework was proposed to predict the <em>τ</em><sub>f</sub> values of ABO<sub>3</sub>-type microwave dielectric ceramics. Leveraging a curated dataset of 104 single-phase ABO<sub>3</sub>-type compounds, we systematically evaluated models based on five machine learning algorithms using 31 structural descriptors as input features. The eXtreme Gradient Boosting (XGB) algorithm emerged as the optimal predictive model, demonstrating robust performance on the test set (<em>R</em><sup>2</sup> = 0.7799, RMSE = 15.7494 × 10<sup>−6</sup> °C<sup>−1</sup>). Consistent results on the validation set further confirmed its generalization capability. Critical features contributing to the model's performance include molecular dielectric polarizability (<em>p</em><sub>m</sub>), tolerance factor (<em>t</em><sub>t</sub>), ionic volume (<em>V</em><sub>i</sub>) and relative molecular mass (<em>m</em>). Structure-property relationship studies revealed that the <em>pm</em> plays an important role in modulating the <em>τ</em><sub>f</sub> value by affecting the permittivity. Quantitative thresholds for these critical descriptors were also derived for identifying materials with near-zero <em>τ</em><sub>f</sub>. This work provides an effective data-driven approach for accelerating the discovery of microwave dielectric ceramics with good temperature stability.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101117"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797432","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 : 2026-01-01DOI: 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 : 2026-01-01DOI: 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 : 2026-01-01DOI: 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}
Pub Date : 2026-01-01DOI: 10.1016/j.jmat.2025.101099
Zhi Gao , Shuaihang Hou , Xinqi Liu , Yuli Xue , Zhipeng Li , Qi Zhao , Jianglong Wang , Zhiliang Li , Shufang Wang
Bi2Se3 has emerged as a promising thermoelectric (TE) material due to its environmentally benign composition and earth-abundant constituents. However, the practical implementation of Bi2Se3-based systems remains challenging due to suboptimal TE performance. This study demonstrates the fabrication of c-axis oriented Bi2Se3 thin films through pulsed laser deposition, with subsequent selenization treatment significantly enhancing TE performance through dual optimization of carrier concentration and crystallographic alignment. A strategic post-deposition selenization process effectively mitigates selenium vacancies and correspondingly reduces the carrier concentration to 2.0 × 1019 cm−3 while improving in-plane carrier mobility. A high power factor (PF) of about 9.5 μW⸱cm−1⸱K−2 is achieved at 475 K in the highly c-axis oriented Bi2Se3 thin films selenized for about 60 min, outperforming the reported state-of-the-art Bi2Se3 films. Demonstrating practical applicability, an 8-leg planar thin-film device generates an exceptional power density of 441.3 μW/cm2 under a 25 K temperature gradient, establishing new performance benchmarks for chalcogenide-based microgenerators. These findings provide crucial insights into defect engineering and structural optimization strategies for developing high-performance TE devices compatible with self-powered microelectronic applications.
{"title":"Post-selenization tailored carrier-crystallographic synergy in c-axis Bi2Se3 thin films for advanced thermoelectrics","authors":"Zhi Gao , Shuaihang Hou , Xinqi Liu , Yuli Xue , Zhipeng Li , Qi Zhao , Jianglong Wang , Zhiliang Li , Shufang Wang","doi":"10.1016/j.jmat.2025.101099","DOIUrl":"10.1016/j.jmat.2025.101099","url":null,"abstract":"<div><div>Bi<sub>2</sub>Se<sub>3</sub> has emerged as a promising thermoelectric (TE) material due to its environmentally benign composition and earth-abundant constituents. However, the practical implementation of Bi<sub>2</sub>Se<sub>3</sub>-based systems remains challenging due to suboptimal TE performance. This study demonstrates the fabrication of <em>c</em>-axis oriented Bi<sub>2</sub>Se<sub>3</sub> thin films through pulsed laser deposition, with subsequent selenization treatment significantly enhancing TE performance through dual optimization of carrier concentration and crystallographic alignment. A strategic post-deposition selenization process effectively mitigates selenium vacancies and correspondingly reduces the carrier concentration to 2.0 × 10<sup>19</sup> cm<sup>−3</sup> while improving in-plane carrier mobility. A high power factor (PF) of about 9.5 μW⸱cm<sup>−1</sup>⸱K<sup>−2</sup> is achieved at 475 K in the highly <em>c</em>-axis oriented Bi<sub>2</sub>Se<sub>3</sub> thin films selenized for about 60 min, outperforming the reported state-of-the-art Bi<sub>2</sub>Se<sub>3</sub> films. Demonstrating practical applicability, an 8-leg planar thin-film device generates an exceptional power density of 441.3 μW/cm<sup>2</sup> under a 25 K temperature gradient, establishing new performance benchmarks for chalcogenide-based microgenerators. These findings provide crucial insights into defect engineering and structural optimization strategies for developing high-performance TE devices compatible with self-powered microelectronic applications.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101099"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312210","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 : 2026-01-01DOI: 10.1016/j.jmat.2025.101104
Xin Liu , Junfeng Zheng , Kunhao Chen , Dandan Qu , Jiyang Wu , Ruiqiang Tao , Zhen Fan , Jiyan Dai , Junming Liu , Xubing Lu
HfO2-based ferroelectrics have emerged as promising candidates for next-generation memory applications due to their superior scalability and CMOS compatibility. However, the inherent trade-off between polarization characteristics and switching reliability remains a critical challenge. This study presents a systematic investigation of doping and intercalation effects on the continuous modulation of grain size and oxygen vacancies in AlOx-inserted Hf0.5Zr0.5O2 (HZO) films. Our findings reveal that only 0.1 nm AlOx insertion layer in HZO can significantly reduce the leakage current (by 2 orders of magnitude) and improve the Pr/Ec value (by 44.6%). Moreover, the field cycling characteristics are enhanced through the suppression of the paraelectric m-phase as well as the balancing of fatigue and wake-up induced phase transitions between antiferroelectric t-phase and ferroelectric o-phase. This work offers valuable insights into the fabrication of high-performance and highly reliable HfO2-based ferroelectric thin films.
{"title":"Enhanced polarization and reliability of hafnia-based ferroelectrics with 0.1 nm AlOx insertion layer","authors":"Xin Liu , Junfeng Zheng , Kunhao Chen , Dandan Qu , Jiyang Wu , Ruiqiang Tao , Zhen Fan , Jiyan Dai , Junming Liu , Xubing Lu","doi":"10.1016/j.jmat.2025.101104","DOIUrl":"10.1016/j.jmat.2025.101104","url":null,"abstract":"<div><div>HfO<sub>2</sub>-based ferroelectrics have emerged as promising candidates for next-generation memory applications due to their superior scalability and CMOS compatibility. However, the inherent trade-off between polarization characteristics and switching reliability remains a critical challenge. This study presents a systematic investigation of doping and intercalation effects on the continuous modulation of grain size and oxygen vacancies in AlO<sub><em>x</em></sub>-inserted Hf<sub>0.5</sub>Zr<sub>0.5</sub>O<sub>2</sub> (HZO) films. Our findings reveal that only 0.1 nm AlO<sub><em>x</em></sub> insertion layer in HZO can significantly reduce the leakage current (by 2 orders of magnitude) and improve the <em>P</em><sub>r</sub>/<em>E</em><sub>c</sub> value (by 44.6%). Moreover, the field cycling characteristics are enhanced through the suppression of the paraelectric m-phase as well as the balancing of fatigue and wake-up induced phase transitions between antiferroelectric t-phase and ferroelectric o-phase. This work offers valuable insights into the fabrication of high-performance and highly reliable HfO<sub>2</sub>-based ferroelectric thin films.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101104"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515635","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 : 2026-01-01DOI: 10.1016/j.jmat.2025.101098
Shaozhen Huang , An Wang , Jiahua Liao , Xiangli Zhong , Hongjia Song , Chao Zhong , Zhongming Wang , Yuejiao Chen , Kecheng Long , Jinbin Wang , Libao Chen
The high-energy-density lithium metal batteries (LMBs) is expected to drive the development of the low-altitude economy and electro vehicles. Nevertheless, the practical application of lithium anodes is hampered by well-known issues of unstable interfacial electrochemistry. For the cathode materials with or without Li in the lithium metal batteries, the mechanisms and problems faced on the interfacial stabilization regulation of the Li anodes are different. Herein, based on in-depth consideration of lithium-free cathode (S) and lithium-containing cathode (NCM811) systems, respectively, we present a friction coating strategy to create an interlayer on the lithium foil anodes (LS@Li and LSe@Li) and lithium boron alloy anodes (LS@LiB and LSe@LiB), which can compensate for sulfur loss and achieve dendrite-free lithium plating. Deeply discuss and reveal the differences of interfacial electrodeposition of LS and LSe interlayers based on the interfacial capacitance. By using this modified interface layer design, we have achieved simultaneous improvement in the performance of both Li||S batteries and Li||NCM811 batteries (lifespan increased by 1.3 times and capacity increased by 1.8 times for Li||S as well as lifespan increased by 2.8 times for Li||NCM811). This strategy forms a stable interlayer based on incomplete mechanochemical reactions, which paves a new way for high-energy-density LMBs.
{"title":"Friction constructing a capacity-compensation interlayer enabled the stable lithium metal batteries","authors":"Shaozhen Huang , An Wang , Jiahua Liao , Xiangli Zhong , Hongjia Song , Chao Zhong , Zhongming Wang , Yuejiao Chen , Kecheng Long , Jinbin Wang , Libao Chen","doi":"10.1016/j.jmat.2025.101098","DOIUrl":"10.1016/j.jmat.2025.101098","url":null,"abstract":"<div><div>The high-energy-density lithium metal batteries (LMBs) is expected to drive the development of the low-altitude economy and electro vehicles. Nevertheless, the practical application of lithium anodes is hampered by well-known issues of unstable interfacial electrochemistry. For the cathode materials with or without Li in the lithium metal batteries, the mechanisms and problems faced on the interfacial stabilization regulation of the Li anodes are different. Herein, based on in-depth consideration of lithium-free cathode (S) and lithium-containing cathode (NCM811) systems, respectively, we present a friction coating strategy to create an interlayer on the lithium foil anodes (LS@Li and LSe@Li) and lithium boron alloy anodes (LS@LiB and LSe@LiB), which can compensate for sulfur loss and achieve dendrite-free lithium plating. Deeply discuss and reveal the differences of interfacial electrodeposition of LS and LSe interlayers based on the interfacial capacitance. By using this modified interface layer design, we have achieved simultaneous improvement in the performance of both Li||S batteries and Li||NCM811 batteries (lifespan increased by 1.3 times and capacity increased by 1.8 times for Li||S as well as lifespan increased by 2.8 times for Li||NCM811). This strategy forms a stable interlayer based on incomplete mechanochemical reactions, which paves a new way for high-energy-density LMBs.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"Article 101098"},"PeriodicalIF":9.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319427","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 : 2026-01-01DOI: 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 : 2026-01-01DOI: 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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