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eDoping: A high-throughput software package for evaluating point defect doping limits in semiconductor and insulator materials eDoping:一个用于评估半导体和绝缘体材料中点缺陷掺杂极限的高通量软件包
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-16 DOI: 10.1016/j.mtphys.2025.101754
Jianbo Zhu , Jingyu Li , Zhuoyang Ti , Lankun Wang , Yaoling Shen , Liuming Wei , Xiaobing Liu , Xin Chen , Peng-Fei Liu , Jiehe Sui , Yongsheng Zhang
{"title":"eDoping: A high-throughput software package for evaluating point defect doping limits in semiconductor and insulator materials","authors":"Jianbo Zhu ,&nbsp;Jingyu Li ,&nbsp;Zhuoyang Ti ,&nbsp;Lankun Wang ,&nbsp;Yaoling Shen ,&nbsp;Liuming Wei ,&nbsp;Xiaobing Liu ,&nbsp;Xin Chen ,&nbsp;Peng-Fei Liu ,&nbsp;Jiehe Sui ,&nbsp;Yongsheng Zhang","doi":"10.1016/j.mtphys.2025.101754","DOIUrl":"10.1016/j.mtphys.2025.101754","url":null,"abstract":"<div><div>Doping significantly influences the physical properties of semiconductor and insulator materials, playing a pivotal role in their technological applications. These effects are particularly pronounced in devices like thermoelectrics, photovoltaics, and solar cells. First-principles calculations, based on density functional theory, have emerged as a powerful method for investigating point defects in solid materials. Here, we introduce eDoping, a Python software package designed to serve as a robust toolkit for setting up initial calculations and conducting post-processing analysis to derive defect effects in semiconductors using widely adopted density functional theory. eDoping offers a user-friendly command-line interface for point defect studies, encompassing aspects like chemical stability domains, defect charge transition levels, formation energies, self-consistent Fermi energy, frozen Fermi energy, and defect carrier concentrations. It enables the exploration of key material properties at the atomic level, addressing questions related to material dopability. Moreover, it serves as a valuable framework for automating high-throughput defect calculations, contributing to our understanding of the thermodynamic properties of point defects in semiconductors from a theoretical perspective.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101754"},"PeriodicalIF":10.0,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144066634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhancing energy storage performance of antiferroelectric NaNbO3-Bi1/3SbO3 ceramics guided by first-principles calculations 基于第一性原理计算增强反铁电NaNbO3-Bi1/3SbO3陶瓷储能性能
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-15 DOI: 10.1016/j.mtphys.2025.101748
Yile Yang , Yongping Pu , Lei Zhang , Min Chen , Xuhui Lv , Jinbo Zhang , Bo Wang , Shaobin Zhang , Jing Shang
{"title":"Enhancing energy storage performance of antiferroelectric NaNbO3-Bi1/3SbO3 ceramics guided by first-principles calculations","authors":"Yile Yang ,&nbsp;Yongping Pu ,&nbsp;Lei Zhang ,&nbsp;Min Chen ,&nbsp;Xuhui Lv ,&nbsp;Jinbo Zhang ,&nbsp;Bo Wang ,&nbsp;Shaobin Zhang ,&nbsp;Jing Shang","doi":"10.1016/j.mtphys.2025.101748","DOIUrl":"10.1016/j.mtphys.2025.101748","url":null,"abstract":"<div><div>The application of Sodium niobate (NaNbO<sub>3</sub>, NN) ceramics with antiferroelectric (AFE) crystal phase faces the severe limitations in low energy density and efficiency due to the instability of the antiferroelectric phase and relatively low breakdown strength. The traditional methods still rely on a large amount of experimental verification. However, the internal mechanism remains unclear. To address this challenge, in the present study, the results of A-site defect engineering from density function theory (DFT) guides to design the modified ingredient of (1-<em>x</em>)NaNbO<sub>3</sub>-<em>x</em>Bi<sub>1/3</sub>SbO<sub>3</sub> ceramics with more stable AFE P phase. The theoretical results indicate that the BiSbO<sub>3</sub> (BS) doping helps to induce a crystal phase transition from the stable ferroelectric (FE) to the more stable AFE state, with an energy difference of 9.762 meV. The main reason is that doping with BS suppresses the distortion index <em>D</em> of BO<sub>6</sub> from 4.39 to 2.86 and increases the <em>θ</em><sub>c</sub> averaged tilting angle from 25.5 to 26.4, thereby significantly stabilizing the AFE P phase. However, this also generates Na vacancies, necessitating the formation of oxygen vacancies to maintain defect balance, which adversely affects the structural stability and breakdown strength of NN. First-principles calculations indicate that inhibiting oxygen vacancy formation raises the bandgap from 1.41 to 2.45 eV, thereby enhancing structural stability and breakdown strength. Guided by these theoretical insights, doped NN ceramics were heat-treated in oxygen atmosphere, and their insulation performance was evaluated. The results confirm the effectiveness of the oxygen vacancy suppression strategy. Ultimately, the experimental findings support our theoretical predictions, providing a strong theoretical and experimental foundation for improving the energy storage performance of NN-based AFE ceramics.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101748"},"PeriodicalIF":10.0,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143979983","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Constructing layered composite magnets to achieve long-range magnetic coupling in nanocrystalline (SmZr)(FeCoTi)12/(SmPr)Co5 composites 构建层状复合磁体,实现纳米晶(SmZr)(FeCoTi)12/(SmPr)Co5复合材料的远程磁耦合
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-14 DOI: 10.1016/j.mtphys.2025.101749
Lin Liu , Mengying Bian , Xingfeng Zhang , Yuqing Li , Xuerui Xu , Weiqiang Liu , Qiong Wu , Ming Yue
{"title":"Constructing layered composite magnets to achieve long-range magnetic coupling in nanocrystalline (SmZr)(FeCoTi)12/(SmPr)Co5 composites","authors":"Lin Liu ,&nbsp;Mengying Bian ,&nbsp;Xingfeng Zhang ,&nbsp;Yuqing Li ,&nbsp;Xuerui Xu ,&nbsp;Weiqiang Liu ,&nbsp;Qiong Wu ,&nbsp;Ming Yue","doi":"10.1016/j.mtphys.2025.101749","DOIUrl":"10.1016/j.mtphys.2025.101749","url":null,"abstract":"<div><div>Good magnetic coupling is the key to preparing high-performance nanocomposite permanent magnetic materials, which is an effective way to break the trade-off between magnetization and coercivity. This paper proposes a method to achieve good magnetic coupling by designing perpendicular interfaces and using micromagnetic simulations, leveraging both long-range dipolar and short-range exchange interactions. Flake-like (SmZr)(FeCoTi)<sub>12</sub> and granular Sm<sub>0.6</sub>Pr<sub>0.4</sub>Co<sub>5</sub> nanocrystalline powders were selected, and a layered composite magnet with excellent comprehensive magnetic properties was prepared by combining hot pressing and hot deformation processes. The prepared composite magnet exhibits significant magnetic anisotropy and good magnetic coupling effect. Furthermore, the factors affecting magnetic properties were explored by combining microstructural characterization with macroscopic magnetization analysis. Our findings also provide a reliable reference for the development of nanocrystalline composite permanent magnetic materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101749"},"PeriodicalIF":10.0,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143979738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Phonon-electron decoupling enables ultralow thermal conductivity in YCl3 & Te-doped Mg3.2Sb1.5Bi0.5 声子-电子去耦实现了YCl3和te掺杂Mg3.2Sb1.5Bi0.5的超低导热性
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-08 DOI: 10.1016/j.mtphys.2025.101747
Jing-xuan Liang , Si-tong Luo , Zhi-bo Wei , Tao Wang , Yun-tian Jiang , Ling-xi Dong , Shu-Qi Zheng , Wei-yu Song , Hong-chao Wang
{"title":"Phonon-electron decoupling enables ultralow thermal conductivity in YCl3 & Te-doped Mg3.2Sb1.5Bi0.5","authors":"Jing-xuan Liang ,&nbsp;Si-tong Luo ,&nbsp;Zhi-bo Wei ,&nbsp;Tao Wang ,&nbsp;Yun-tian Jiang ,&nbsp;Ling-xi Dong ,&nbsp;Shu-Qi Zheng ,&nbsp;Wei-yu Song ,&nbsp;Hong-chao Wang","doi":"10.1016/j.mtphys.2025.101747","DOIUrl":"10.1016/j.mtphys.2025.101747","url":null,"abstract":"<div><div>Mg<sub>3</sub>Sb<sub>2</sub>-based thermoelectric materials are widely recognized as highly promising functional materials due to their cost-effectiveness, non-toxicity, and environmental friendliness. In this study, a synergistic doping strategy involving YCl<sub>3</sub> &amp; Te was implemented, achieving a peak ZT value of 1.83 at 723K in the Mg<sub>3.2</sub>Sb<sub>1.5</sub>Bi<sub>0.49</sub>Te<sub>0.01</sub> + 1 % YCl<sub>3</sub> composition. First-principles calculations demonstrate that YCl<sub>3</sub> &amp; Te co-doping precisely modulates the Fermi level position, facilitating n-type conduction behavior. Simultaneously, the substitution of Sb by Cl induces lattice contraction, while the doping-driven \"avoided crossing\" effect collectively suppresses phonon transport, resulting in an ultralow lattice thermal conductivity of 0.27 W m<sup>−1</sup> K<sup>−1</sup>. Moreover, the incorporation of YCl<sub>3</sub> &amp; Te significantly improves the deformation resistance of Mg<sub>3</sub>Sb<sub>2</sub>, enhancing its suitability for subsequent material processing and device integration. Finite element analysis predicts that the energy conversion efficiency of the Mg<sub>3.2</sub>Sb<sub>1.5</sub>Bi<sub>0.49</sub>Te<sub>0.01</sub> + 1 % YCl<sub>3</sub> sample exceeds 11 % under a temperature gradient of 423K. This work provides new insights into the phonon-electron decoupling mechanism in Mg<sub>3</sub>Sb<sub>2</sub>-based thermoelectric materials through the synergistic regulation of band engineering and phonon engineering.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101747"},"PeriodicalIF":10.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143920376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical and numerical study on thermoelectric transient cooling for hotspot elimination under alternating current mode 本征性质、界面接触和直流耦合对交流模式下热电瞬态冷却消热点影响的理论和数值研究
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-08 DOI: 10.1016/j.mtphys.2025.101744
Xiang Chen , Houping Xia , Jianghe Feng , Yang Xiong , Guoying Dong , Juan Li , Ruiheng Liu
{"title":"Theoretical and numerical study on thermoelectric transient cooling for hotspot elimination under alternating current mode","authors":"Xiang Chen ,&nbsp;Houping Xia ,&nbsp;Jianghe Feng ,&nbsp;Yang Xiong ,&nbsp;Guoying Dong ,&nbsp;Juan Li ,&nbsp;Ruiheng Liu","doi":"10.1016/j.mtphys.2025.101744","DOIUrl":"10.1016/j.mtphys.2025.101744","url":null,"abstract":"<div><div>The escalating power density in modern microelectronics gives rise to high-frequency thermal hotspots that pose severe challenges to on-chip thermal management. Microscale thermoelectric coolers (μ-TECs), possessing unique advantages such as, rapid response, precise temperature control, and high reliability, offer promising solution for localized chip-level cooling. However, conventional steady-state and transient pulse cooling methods remain insufficient for dissipating the sustained, ultra-high heat flux generated by these hotspots. In this study, we investigated the heat transport behavior of thermoelectric cooling under alternating current mode through a combined approach of analytical modeling and finite element simulations. The results demonstrated that the hotspot temperatures could be effectively suppressed by optimally matching the amplitude and phase of the alternating current applied to μ-TECs. Additionally, high thermal conductivity and low interfacial contact resistance further enhanced active cooling performance. Furthermore, the integration of a negative direct current offset into the optimized silicon-based μ-TEC achieved a 3.29 K reduction in peak hotspot temperature and significantly reduced temperature fluctuation from 65.62 K to 20.66 K, under an ultra-high heat flux of 6.37 kW/cm<sup>2</sup>. This study points out the priorities for materials research and device optimization for on-chip μ-TECs and paves the way for achieving transient thermal management of chip hotspots.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101744"},"PeriodicalIF":10.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143920377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Practicality of MXenes: Recent trends, considerations, and future aspects in supercapacitors MXenes的实用性:超级电容器的最新趋势、考虑和未来
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-08 DOI: 10.1016/j.mtphys.2025.101745
Iftikhar Hussain , Abdullah Al Mahmud , Sabarison Pandiyarajan , Karanpal Singh , Essam H. Ibrahim , Pritam J. Morankar , Sajjad Hussain , P. Rosaiah , Muhammad Zubair Khan , Zeeshan Ajmal , Bhargav Akkinepally , Ho-Chiao Chuang , Kaili Zhang
{"title":"Practicality of MXenes: Recent trends, considerations, and future aspects in supercapacitors","authors":"Iftikhar Hussain ,&nbsp;Abdullah Al Mahmud ,&nbsp;Sabarison Pandiyarajan ,&nbsp;Karanpal Singh ,&nbsp;Essam H. Ibrahim ,&nbsp;Pritam J. Morankar ,&nbsp;Sajjad Hussain ,&nbsp;P. Rosaiah ,&nbsp;Muhammad Zubair Khan ,&nbsp;Zeeshan Ajmal ,&nbsp;Bhargav Akkinepally ,&nbsp;Ho-Chiao Chuang ,&nbsp;Kaili Zhang","doi":"10.1016/j.mtphys.2025.101745","DOIUrl":"10.1016/j.mtphys.2025.101745","url":null,"abstract":"<div><div>MXenes, a family of two-dimensional (2D) transition metal carbides and nitrides have garnered significant interest owing to their unique properties, making them suitable for electrode materials in flexible and wearable supercapacitors (SCs). A significant portion of MXenes has predominantly been utilized in a three-electrode configuration, lacking practical applications. Herein, we have conducted a comprehensive review of recent advancements concerning the practical application of MXenes in two-electrode SCs. Critical considerations such as expanding the potential/voltage window, optimizing electrolytes, electrode selection, limitations of both electrodes and electrolytes, and exploration of electrode hybridization have been thoroughly investigated. Moreover, we have discussed the latest progress in MXenes and their prospective contributions to advancing SC applications. The future aspects of MXene-based SCs have been proposed, thereby facilitating advancements in energy storage technologies and their tangible integration into real-world electronic applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101745"},"PeriodicalIF":10.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143926347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Room-temperature bipolar ferrovalley semiconductors and anomalous valley Hall effect in Janus CeClI and CeBrI 室温双极性铁谷半导体和Janus CeClI和CeBrI中的异常谷霍尔效应
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-06 DOI: 10.1016/j.mtphys.2025.101743
Yuqi Liu , Long Zhang , Zhiyuan Xu , Shuaiwei Fan , Guoying Gao
{"title":"Room-temperature bipolar ferrovalley semiconductors and anomalous valley Hall effect in Janus CeClI and CeBrI","authors":"Yuqi Liu ,&nbsp;Long Zhang ,&nbsp;Zhiyuan Xu ,&nbsp;Shuaiwei Fan ,&nbsp;Guoying Gao","doi":"10.1016/j.mtphys.2025.101743","DOIUrl":"10.1016/j.mtphys.2025.101743","url":null,"abstract":"<div><div>Ferrovalley materials with perpendicular magnetic anisotropy (PMA), high Curie temperature (<em>T</em><sub>C</sub>) and large valley polarization are very crucial to spintronic and valleytronic applications. We herein propose two 2D <em>f</em>-electron Janus CeClI and CeBrI with strong spin-orbit coupling, and use first-principles calculations, Monte Carlo simulations and Wannier functions to investigate the magnetic anisotropy, magnetic transition temperature, valley characteristic and anomalous valley Hall effect (AVHE). Both CeClI and CeBrI monolayers are found to be above-room-temperature ferromagnetic semiconductors with <em>T</em><sub>C</sub>s of 468 and 418 K, respectively, which are robust to biaxial strain. Monolayer CeClI possesses the PMA and the spontaneous bipolar valley polarization of 54.5 (75.4) meV at the valence (conduction) band. Monolayer CeBrI exhibits the in-plane magnetic anisotropy (IMA), but a very slight compressive biaxial strain (less than −1 %) can induce the IMA-to-PMA transition with the bipolar valley polarization of 61.8 (80.2 meV) at the valence (conduction) band under −1 % compressive strain. The compressive strain increases the PMA mainly contributed by Ce-<em>d</em> and I-<em>p</em> electrons, and decreases the valley polarization due to the weakened spin-orbit coupling, but the valley polarization is still considerable. Interestingly, under only −1 % (−2 %) compressive strain, the valley locates at the valence band maximum, leading to the AVHE for CeBrI (CeClI). Our present work highlights the robust high <em>T</em><sub>C</sub>, large bipolar valley polarization and AVHE in 2D CeClI and CeBrI, which will stimulate extensive studies on <em>f</em>-electron Janus ferrovalley systems for spintronic and valleytronic applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101743"},"PeriodicalIF":10.0,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143910688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical predictions of MB5N5: Atom-stuffed boronitride clathrate cages derived from the high-pressure superhydrides MB5N5的理论预测:高压超氢化物衍生的填充硼氮笼状物
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-05 DOI: 10.1016/j.mtphys.2025.101732
Nisha Geng, Giacomo Joseph Scilla, Eva Zurek
{"title":"Theoretical predictions of MB5N5: Atom-stuffed boronitride clathrate cages derived from the high-pressure superhydrides","authors":"Nisha Geng,&nbsp;Giacomo Joseph Scilla,&nbsp;Eva Zurek","doi":"10.1016/j.mtphys.2025.101732","DOIUrl":"10.1016/j.mtphys.2025.101732","url":null,"abstract":"<div><div>This study investigates 198 <span><math><mrow><mi>M</mi><msub><mrow><mi>X</mi></mrow><mrow><mn>5</mn></mrow></msub><msub><mrow><mi>Y</mi></mrow><mrow><mn>5</mn></mrow></msub></mrow></math></span> (<span><math><mi>X</mi></math></span>, <span><math><mi>Y</mi></math></span> = B, C, or N) clathrate-like structures derived from <span><math><mi>M</mi></math></span>H<sub>10</sub> superhydrides using high-throughput Density Functional Theory (DFT) geometry optimizations and phonon calculations. A wide variety of electropositive and electronegative encapsulated atoms were considered. From all of the studied systems only 34 <span><math><mi>M</mi></math></span>B<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span> phases were found to be dynamically stable at ambient pressure. The highest 1-atmosphere superconducting critical transition temperature was predicted for FB<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>. However, <em>ab initio</em> molecular dynamics simulations revealed that all of the identified superconducting phases decompose by 300 K at 1 atm, while only eleven semiconducting phases remained thermally stable. Our findings underscore the critical role of kinetic and thermal stability in predicting viable superconductors. The electronic structure of the <span><math><mi>M</mi></math></span>B<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span> compounds were rationalized in terms of electron donating and withdrawing intercalants. DFT and machine-learning based predictions of their mechanical properties were compared with those of an empty boronitride cage.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101732"},"PeriodicalIF":10.0,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143905586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel design strategy for highly stretchable and sensitive foam sensor with an ultra-wide strain range 一种具有超宽应变范围的高拉伸、高灵敏度泡沫传感器的新设计策略
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-02 DOI: 10.1016/j.mtphys.2025.101741
Xueyun Li , Wei Zhou , Yu Cao , Quanyou Wei , Tianyu Jiao , Shijie Cui , Minghui Wu , Peng Xiao , Long Wang , Wenge Zheng
{"title":"Novel design strategy for highly stretchable and sensitive foam sensor with an ultra-wide strain range","authors":"Xueyun Li ,&nbsp;Wei Zhou ,&nbsp;Yu Cao ,&nbsp;Quanyou Wei ,&nbsp;Tianyu Jiao ,&nbsp;Shijie Cui ,&nbsp;Minghui Wu ,&nbsp;Peng Xiao ,&nbsp;Long Wang ,&nbsp;Wenge Zheng","doi":"10.1016/j.mtphys.2025.101741","DOIUrl":"10.1016/j.mtphys.2025.101741","url":null,"abstract":"<div><div>Porous conductive materials with high stretchability are promising candidate about flexible electronics. However, it is a long-standing challenge for porous sensors to have an ultra-broad strain range due to their conductive or mechanical failure. Herein, to the best of our knowledge, we firstly employed the supercritical CO<sub>2</sub> (scCO<sub>2</sub>) foaming to prepare a thin (500 μm), waterproof, and highly stretchable polyolefin elastomer (POE)/carbon nanostructures (CNS) foam sensor with segregated structure. Compared to POE/CNS foam with randomly distributed structure, the segregated POE/CNS foam had a superior stretchability (952.5 % strain), much better elasticity (a residual strain of 13.8 %), and much lower electrical resistance (50 kΩ) owing to selective distribution of CNS. Hence segregated POE/CNS composite foam simultaneously achieved an excellent stretchability and well electrical conductivity. Additionally, the brittle conductive layer became flexible due to the diffusion of POE molecule chains into CNS, which hindered rapid crack propagation of conductive layer during stretching, extending the strain response range of foam sensor. These two reasons enabled segregated POE/CNS foam to display an ultra-wide response range from 0.5 % to 762 % strain, which was well beyond the randomly distributed POE/CNS foam (153.5 % strain). Moreover, the reconstructed conductive network structure by scCO<sub>2</sub> foaming endowed it with high sensitivity (GF = 15230). The segregated POE/CNS foam also had a short response time (200 ms), excellent reproducibility, and long-term durability (4000 cycles). Thereby it could be applied in full-range human motion monitoring and engineering equipment.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"55 ","pages":"Article 101741"},"PeriodicalIF":10.0,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143897625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent advances and challenges of tactile sensing for robotics: from fundamentals to applications 机器人触觉传感的最新进展和挑战:从基础到应用
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2025-05-01 DOI: 10.1016/j.mtphys.2025.101740
Ziheng Zhan , Yang Yang , Wenjuan Zuo , Mingzhu Xie , Meng Ning
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