首页 > 最新文献

Journal of Electroceramics最新文献

英文 中文
Electrodeposition of fabricated tin sulfide nanoparticles on graphene oxide and natural fibers based robust freestanding electrodes for flexible energy storage devices 制备的硫化锡纳米颗粒电沉积在氧化石墨烯和天然纤维上,用于柔性储能装置的坚固独立电极
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-05-09 DOI: 10.1007/s10832-025-00404-1
Sameen Ilyas, Fatima Kainat, Sadaf Manzoor, I. Sultana, Imran Rafiq, Naushad Ahmad, Shahid M. Ramay, Aamir Razaq

Graphene-oxide (GO) based composites exhibit promising energy storage properties like adaptable porosity, chemical stability, excellent conductivity, and exceptional ability to charge storage processes. However, the inherent rigid structure of GO limits its use for modern flexible and disposable energy storage devices. This study presents the fabrication of Graphene oxide/tin sulfide-based flexible composites by employing natural fibers (as a binder) extracted from wasted bioresources (banana peels). GO and tin sulfide (SnS) nanoparticles are synthesized by a facile and fast microwave-assisted approach. Furthermore, SnS nanoparticles are deposited electrochemically on fabricated GO-based paper electrodes to enhance their electronic conductivity and energy storage characteristics. Highly flexible paper-based electrodes are characterized by different characterization techniques, i.e., scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, and RAMAN spectroscopy to observe their morphology and chemical bonding. Electrochemical measurements, including Cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), and electrochemical impedance spectroscopy (EIS), are performed to observe the kinetics and capacitive behavior of the electrodes. LC/GO/SnS 2400 s exhibit specific capacitance of 68.78 F/g at which is greater than GO/LC (30.97 F/g). Prepared tertiary composite (GO/LC/SnS) depicts excellent charge-discharge behavior. LC/GO/SnS 2400 s reveals power density of 84.6 W/kg at 4.57 Wh/kg and also show specific capacitance of 55.4 F/g. Superior electrochemical characteristics are indicated by the GO/LC/SnS (2400 s) electrode and lower Rs (0.89Ω) and Rct(1.7Ω) values as compared to the binary composite (GO/LC). These composites provide a deep insight into the construction of electrodes with high ionic/electronic conductivity for fast-charging energy storage devices.

石墨烯-氧化石墨烯(GO)基复合材料具有良好的储能性能,如适应性孔隙度、化学稳定性、优异的导电性和卓越的充电存储能力。然而,氧化石墨烯固有的刚性结构限制了其在现代柔性和一次性储能设备中的应用。本研究介绍了利用从废弃生物资源(香蕉皮)中提取的天然纤维(作为粘合剂)制备氧化石墨烯/硫化锡基柔性复合材料。采用微波辅助制备了氧化石墨烯和硫化锡纳米颗粒。此外,将SnS纳米颗粒电化学沉积在制备的氧化石墨烯基纸电极上,以提高其电子导电性和储能特性。采用不同的表征技术,即扫描电子显微镜(SEM)、傅里叶变换红外光谱(FTIR)和拉曼光谱来观察高柔性纸基电极的形貌和化学键合。电化学测量包括循环伏安法(CV)、恒流充放电法(GCD)和电化学阻抗谱法(EIS)来观察电极的动力学和电容行为。LC/GO/SnS 2400 s的比电容为68.78 F/g,高于GO/LC (30.97 F/g)。制备的三级复合材料(GO/LC/SnS)具有优异的充放电性能。LC/GO/SnS 2400 s在4.57 Wh/kg时的功率密度为84.6 W/kg,比电容为55.4 F/g。与二元复合材料(GO/LC)相比,GO/LC/SnS (2400 s)电极具有更好的电化学特性,Rs (0.89Ω)和Rct(1.7Ω)值更低。这些复合材料为快速充电储能装置提供了具有高离子/电子导电性的电极结构的深刻见解。
{"title":"Electrodeposition of fabricated tin sulfide nanoparticles on graphene oxide and natural fibers based robust freestanding electrodes for flexible energy storage devices","authors":"Sameen Ilyas,&nbsp;Fatima Kainat,&nbsp;Sadaf Manzoor,&nbsp;I. Sultana,&nbsp;Imran Rafiq,&nbsp;Naushad Ahmad,&nbsp;Shahid M. Ramay,&nbsp;Aamir Razaq","doi":"10.1007/s10832-025-00404-1","DOIUrl":"10.1007/s10832-025-00404-1","url":null,"abstract":"<div><p>Graphene-oxide (GO) based composites exhibit promising energy storage properties like adaptable porosity, chemical stability, excellent conductivity, and exceptional ability to charge storage processes. However, the inherent rigid structure of GO limits its use for modern flexible and disposable energy storage devices. This study presents the fabrication of Graphene oxide/tin sulfide-based flexible composites by employing natural fibers (as a binder) extracted from wasted bioresources (banana peels). GO and tin sulfide (SnS) nanoparticles are synthesized by a facile and fast microwave-assisted approach. Furthermore, SnS nanoparticles are deposited electrochemically on fabricated GO-based paper electrodes to enhance their electronic conductivity and energy storage characteristics. Highly flexible paper-based electrodes are characterized by different characterization techniques, i.e., scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, and RAMAN spectroscopy to observe their morphology and chemical bonding. Electrochemical measurements, including Cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), and electrochemical impedance spectroscopy (EIS), are performed to observe the kinetics and capacitive behavior of the electrodes. LC/GO/SnS 2400 s exhibit specific capacitance of 68.78 F/g at which is greater than GO/LC (30.97 F/g). Prepared tertiary composite (GO/LC/SnS) depicts excellent charge-discharge behavior. LC/GO/SnS 2400 s reveals power density of 84.6 W/kg at 4.57 Wh/kg and also show specific capacitance of 55.4 F/g. Superior electrochemical characteristics are indicated by the GO/LC/SnS (2400 s) electrode and lower Rs (0.89Ω) and Rct(1.7Ω) values as compared to the binary composite (GO/LC). These composites provide a deep insight into the construction of electrodes with high ionic/electronic conductivity for fast-charging energy storage devices.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"393 - 403"},"PeriodicalIF":2.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Exploring thermally stable dielectric and energy storage response of Bi-based ceramics for renewable energy storage applications 探索可再生能源存储应用中铋基陶瓷的热稳定介电和储能响应
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-05-07 DOI: 10.1007/s10832-025-00402-3
Ali Ahmad Khan, Muhammad Salman Habib, Muhammad Asif Rafiq, Adnan Maqbool, Muhammad Asif Hussain, Rizwan Ahmed Malik, Mohsin Saleem, Imran Hussain Khan, Mahnoor Nawaz

Renewable energy is accelerating rapidly, driven by the urgent need to mitigate environmental depletion, which has intensified the demand to produce environment-friendly perovskite materials. Among the promising candidates, undoped bismuth sodium titanate-strontium titanate 0.74Bi0.5Na0.5TiO3–0.26SrTiO3 (BNST) ceramics and niobium-doped BNST (BNST–Nb) ceramics have emerged as innovative materials that were prepared using mixed oxide solid-state synthesis. The X-ray diffraction (XRD) confirmed the phase structure of BNST–Nb, while the dense microstructure with equiaxed grain size was confirmed by scanning electron microscopy (SEM). The electrochemical impedance spectroscopy (EIS) confirmed that electrical microstructure explained the grain and grain boundary contribution. Increasing temperature, with increased Nb content in BNST, predicts a dielectric constant (εr ̴ 3000), and curie temperature (Tc ̴ 250 ℃) for 0.5% Nb. It has an energy density (W) of 0.6 J/cm3 and an efficiency (η) of 93% was observed. Niobium-doped BNST ceramics have specific benefits over other materials, especially for high-temperature applications at 500 ℃. Unlike many typical ceramics, which deteriorate at high temperatures, BNST-Nb retains and even improves its dielectric characteristics. The investigation of charge conduction and polarization at high temperatures yields novel insights, making BNST–Nb a viable material for advanced thermal and electrical applications.

在缓解环境枯竭的迫切需要的推动下,可再生能源正在迅速加速,这加剧了对生产环境友好型钙钛矿材料的需求。其中,未掺杂铋钛钠-钛酸锶(0.74Bi0.5Na0.5TiO3-0.26SrTiO3 (BNST))陶瓷和掺铌BNST (BNST - nb)陶瓷是采用混合氧化物固态合成方法制备的创新材料。x射线衍射(XRD)证实了BNST-Nb的相结构,扫描电镜(SEM)证实了BNST-Nb具有等轴晶粒的致密微观结构。电化学阻抗谱(EIS)证实了电微观结构解释了晶粒和晶界的贡献。随着BNST中Nb含量的增加,温度升高可预测0.5% Nb的介电常数(εr′3000)和居里温度(Tc′250℃)。其能量密度(W)为0.6 J/cm3,效率(η)为93%。掺铌的BNST陶瓷比其他材料具有特殊的优势,特别是在500℃的高温应用中。与许多在高温下会变质的典型陶瓷不同,bst - nb保留甚至改善了其介电特性。对高温下电荷传导和极化的研究产生了新的见解,使bst - nb成为先进热电应用的可行材料。
{"title":"Exploring thermally stable dielectric and energy storage response of Bi-based ceramics for renewable energy storage applications","authors":"Ali Ahmad Khan,&nbsp;Muhammad Salman Habib,&nbsp;Muhammad Asif Rafiq,&nbsp;Adnan Maqbool,&nbsp;Muhammad Asif Hussain,&nbsp;Rizwan Ahmed Malik,&nbsp;Mohsin Saleem,&nbsp;Imran Hussain Khan,&nbsp;Mahnoor Nawaz","doi":"10.1007/s10832-025-00402-3","DOIUrl":"10.1007/s10832-025-00402-3","url":null,"abstract":"<div><p>Renewable energy is accelerating rapidly, driven by the urgent need to mitigate environmental depletion, which has intensified the demand to produce environment-friendly perovskite materials. Among the promising candidates, undoped bismuth sodium titanate-strontium titanate 0.74Bi<sub>0.5</sub>Na<sub>0.5</sub>TiO<sub>3</sub>–0.26SrTiO<sub>3</sub> (BNST) ceramics and niobium-doped BNST (BNST–Nb) ceramics have emerged as innovative materials that were prepared using mixed oxide solid-state synthesis. The X-ray diffraction (XRD) confirmed the phase structure of BNST–Nb, while the dense microstructure with equiaxed grain size was confirmed by scanning electron microscopy (SEM). The electrochemical impedance spectroscopy (EIS) confirmed that electrical microstructure explained the grain and grain boundary contribution. Increasing temperature, with increased Nb content in BNST, predicts a dielectric constant (<i>ε</i><sub><i>r</i></sub> ̴ 3000), and curie temperature (<i>T</i><sub>c</sub> ̴ 250 ℃) for 0.5% Nb. It has an energy density (<i>W</i>) of 0.6 J/cm<sup>3</sup> and an efficiency (<i>η</i>) of 93% was observed. Niobium-doped BNST ceramics have specific benefits over other materials, especially for high-temperature applications at 500 ℃. Unlike many typical ceramics, which deteriorate at high temperatures, BNST-Nb retains and even improves its dielectric characteristics. The investigation of charge conduction and polarization at high temperatures yields novel insights, making BNST–Nb a viable material for advanced thermal and electrical applications.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"377 - 392"},"PeriodicalIF":2.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Exploring the first order reversal curves of Mn, Nd doped CoFe2O4–Yb doped PbZrTiO3 based composites 探索Mn, Nd掺杂CoFe2O4-Yb掺杂PbZrTiO3基复合材料的一阶反转曲线
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-04-30 DOI: 10.1007/s10832-025-00403-2
Nahida Hassan, Rubiya Samad, Basharat Want

The magnetic characterization of the multiferroic composites has become much important for their applicability in improving devices efficiencies. In this report, we have attempted to study the magnetic properties of the multiferroic composites consisting of Mn/Nd doped CoFe2O4 and Yb doped PbZrTiO3 by exploring a new technique called the First Order Reversal Curve (FORC) and also include morphological analysis of the composites and the parent phases. The morphological characterization with the Scanning Electron Microscope confirmed the average grain size decreased with an increase in the ferrite content. The FORC analysis of Mn/Nd doped Cobalt ferrite (CMnFO) and the composites grant the information about the switching field and the interaction field distribution, determining the various magnetic properties of the composites including the magnetic mixtures and the domain state of magnetisation. The FORC analysis also confirmed the nature of the interactions occurring in the system subjected to the shift of the FORC distribution along the interaction axis. The FORC studies determined the existence of the unique magnetic phase CMnFO in all the composites with no additional magnetic phase. The FORC study also describes the influence of the grain size on the FORC distribution of the samples and also the impact of the varying concentration of the ferrite phase on the intensity of the FORC distribution. Further, the Day plots obtained reveal that all the composites and CNdFO have pseudo-domain while the CMnFO phase has a single domain structure.

多铁复合材料的磁性特性对其在提高器件效率方面的适用性变得非常重要。在本报告中,我们尝试通过探索一阶反转曲线(FORC)的新技术来研究Mn/Nd掺杂CoFe2O4和Yb掺杂PbZrTiO3组成的多铁复合材料的磁性能,并包括复合材料和母相的形态分析。扫描电镜形貌分析表明,随着铁素体含量的增加,平均晶粒尺寸减小。通过对Mn/Nd掺杂钴铁氧体和复合材料的FORC分析,获得了开关场和相互作用场分布的信息,确定了复合材料的各种磁性能,包括磁性混合物和磁化畴态。FORC分析还证实了系统中发生的相互作用的性质,这些相互作用受到FORC分布沿相互作用轴的移动的影响。FORC研究确定了复合材料中存在独特的磁相CMnFO,没有额外的磁相。FORC研究还描述了晶粒尺寸对样品FORC分布的影响,以及不同铁素体相浓度对FORC分布强度的影响。此外,得到的Day图显示复合材料和CNdFO都具有伪畴结构,而CMnFO相具有单一畴结构。
{"title":"Exploring the first order reversal curves of Mn, Nd doped CoFe2O4–Yb doped PbZrTiO3 based composites","authors":"Nahida Hassan,&nbsp;Rubiya Samad,&nbsp;Basharat Want","doi":"10.1007/s10832-025-00403-2","DOIUrl":"10.1007/s10832-025-00403-2","url":null,"abstract":"<div><p>The magnetic characterization of the multiferroic composites has become much important for their applicability in improving devices efficiencies. In this report, we have attempted to study the magnetic properties of the multiferroic composites consisting of Mn/Nd doped CoFe<sub>2</sub>O<sub>4</sub> and Yb doped PbZrTiO<sub>3</sub> by exploring a new technique called the First Order Reversal Curve (FORC) and also include morphological analysis of the composites and the parent phases. The morphological characterization with the Scanning Electron Microscope confirmed the average grain size decreased with an increase in the ferrite content. The FORC analysis of Mn/Nd doped Cobalt ferrite (CMnFO) and the composites grant the information about the switching field and the interaction field distribution, determining the various magnetic properties of the composites including the magnetic mixtures and the domain state of magnetisation. The FORC analysis also confirmed the nature of the interactions occurring in the system subjected to the shift of the FORC distribution along the interaction axis. The FORC studies determined the existence of the unique magnetic phase CMnFO in all the composites with no additional magnetic phase. The FORC study also describes the influence of the grain size on the FORC distribution of the samples and also the impact of the varying concentration of the ferrite phase on the intensity of the FORC distribution. Further, the Day plots obtained reveal that all the composites and CNdFO have pseudo-domain while the CMnFO phase has a single domain structure.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"368 - 376"},"PeriodicalIF":2.6,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Exploring energy storage characteristics of lead-free [(Na1 − 3x/2Bi3x/2) (Nb1 − xSrx) O3] ceramics 无铅[(Na1−3x/2Bi3x/2) (Nb1−xSrx) O3]陶瓷的储能特性研究
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-04-29 DOI: 10.1007/s10832-025-00401-4
Aman Malasi, M. Chandrasekhar, Ankur Khokhar, Shivam Kumar Mittal, Amiya Mandal, Kanhaiya Lal Yadav, Nibedan Nanda, Pawan Kumar

In this work, NN-based lead-free ceramics [Na1 − 3x/2Bi3x/2) (Nb1 − xSrx) O3] where x = 0.00, 0.04, 0.05, 0.06, 0.07, and 0.08 were synthesized via solid-state reaction route. XRD study confirmed the increase of the appearance of secondary phase with the increase of doping concentrations. FE-SEM study showed the decrease of average grain size with the increase of doping concentration. Dielectric study showed dielectric constant (εr) ⁓ 1051 with low dielectric loss (tanδ) < 0.6 near Tc in [(Na0.91Bi0.09) (Nb0.94Sr0.06) O3] ceramics at 1 kHz frequency. Polarization vs. electric field ferroelectric study of [(Na0.91Bi0.09) (Nb0.94Sr0.06) O3] ceramics demonstrated the highest total energy storage density (Wtotal) of ~ 1.74 J/cm³ with a high recoverable energy storage density (Wrec) of ~ 1.28 J/cm³, with an efficiency (η) ~ 74% at an electric field of 145 kV/cm among the synthesized ceramics.

本研究通过固相反应途径合成了x = 0.00, 0.04, 0.05, 0.06, 0.07, 0.08的n基无铅陶瓷[Na1−3x/2Bi3x/2) (Nb1−xSrx) O3]。XRD研究证实,随着掺杂浓度的增加,二次相的形貌增加。FE-SEM研究表明,随着掺杂浓度的增加,平均晶粒尺寸减小。在1 kHz频率下,[(Na0.91Bi0.09) (Nb0.94Sr0.06) O3]陶瓷在Tc附近的介电常数(εr)⁓1051,介电损耗(tanδ) < 0.6。对[(Na0.91Bi0.09) (Nb0.94Sr0.06) O3]陶瓷进行极化与电场的铁电研究表明,合成陶瓷的总储能密度(Wtotal)最高,为~ 1.74 J/cm³,可回收储能密度(Wrec)最高,为~ 1.28 J/cm³,在145 kV/cm的电场下,效率(η)为~ 74%。
{"title":"Exploring energy storage characteristics of lead-free [(Na1 − 3x/2Bi3x/2) (Nb1 − xSrx) O3] ceramics","authors":"Aman Malasi,&nbsp;M. Chandrasekhar,&nbsp;Ankur Khokhar,&nbsp;Shivam Kumar Mittal,&nbsp;Amiya Mandal,&nbsp;Kanhaiya Lal Yadav,&nbsp;Nibedan Nanda,&nbsp;Pawan Kumar","doi":"10.1007/s10832-025-00401-4","DOIUrl":"10.1007/s10832-025-00401-4","url":null,"abstract":"<div><p>In this work, NN-based lead-free ceramics [Na<sub>1 − 3x/2</sub>Bi<sub>3x/2</sub>) (Nb<sub>1 − x</sub>Sr<sub>x</sub>) O<sub>3</sub>] where x = 0.00, 0.04, 0.05, 0.06, 0.07, and 0.08 were synthesized via solid-state reaction route. XRD study confirmed the increase of the appearance of secondary phase with the increase of doping concentrations. FE-SEM study showed the decrease of average grain size with the increase of doping concentration. Dielectric study showed dielectric constant (ε<sub>r</sub>) ⁓ 1051 with low dielectric loss (tanδ) &lt; 0.6 near T<sub>c</sub> in [(Na<sub>0.91</sub>Bi<sub>0.09</sub>) (Nb<sub>0.94</sub>Sr<sub>0.06</sub>) O<sub>3</sub>] ceramics at 1 kHz frequency. Polarization vs. electric field ferroelectric study of [(Na<sub>0.91</sub>Bi<sub>0.09</sub>) (Nb<sub>0.94</sub>Sr<sub>0.06</sub>) O<sub>3</sub>] ceramics demonstrated the highest total energy storage density (W<sub>total</sub>) of ~ 1.74 J/cm³ with a high recoverable energy storage density (W<sub>rec</sub>) of ~ 1.28 J/cm³, with an efficiency (η) ~ 74% at an electric field of 145 kV/cm among the synthesized ceramics.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"357 - 367"},"PeriodicalIF":2.6,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Piezoelectric, ferroelectric and mechanical properties of Li-doped PNN-PHT ceramics 掺锂PNN-PHT陶瓷的压电、铁电和力学性能
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-04-26 DOI: 10.1007/s10832-025-00400-5
Wenjing Bi, Jingwen Sun, Chenyang Zhang, Yunfei Bai, Shichao Zhou, Xinyang Gao, Heming Li, Tianzi Yin, Yi Zhang, Jigong Hao, Juan Du, Peng Li, Peng Fu, Chaolei Ban, Wei Li

Piezoelectric ceramics are widely used in aviation, aerospace, communications, weapons, electronics and other high-tech fields. This study focuses on high piezoelectric Pb(Nb2/3Ni1/3)O3-Pb(Hf1/2Ti1/2)O3 (PNN-PHT) binary ceramic as the research matrix. By doping Li2CO3, the Curie temperature is increased, and the effects of doping concentration on microstructure, phase structure, and electrical performances of the ceramics are discussed. The study found that all ceramics were rhombohedral -tetragonal mixed phases, and no impurity phases were generated. When x = 0.20, the samples have the best mass density ρ = 8.0291 g/cm3, the best piezoelectric constant d33 = 702 pC/N, the largest signal piezoelectric constant d33* = 943 pm/V, the largest strain value S = 0.56%, the highest electromechanical coupling coefficient kp = 51.9%, excellent hardness H = 4.5221 GPa and fracture toughness KIC = 1.06 MPa•m0.5, and a higher Curie temperature TC = 155 oC. At the same time, the x = 0.20 sample has excellent temperature stability in 20 ~ 150 oC, achieving a balance and compromise between piezoelectric properties and temperature stability.

压电陶瓷广泛应用于航空、航天、通信、武器、电子等高科技领域。本研究以高压电Pb(Nb2/3Ni1/3)O3-Pb(Hf1/2Ti1/2)O3 (PNN-PHT)二元陶瓷为研究基体。通过掺杂Li2CO3提高了陶瓷的居里温度,讨论了掺杂浓度对陶瓷微观结构、相结构和电性能的影响。研究发现,所有陶瓷均为菱形-四边形混合相,未生成杂质相。当x = 0.20时,样品的最佳质量密度ρ = 8.0291 g/cm3,最佳压电常数d33 = 702 pC/N,最大信号压电常数d33* = 943 pm/V,最大应变值S = 0.56%,机电耦合系数kp = 51.9%,优异的硬度H = 4.5221 GPa,断裂韧性KIC = 1.06 MPa•m0.5,较高的居里温度TC = 155 oC。同时,x = 0.20样品在20 ~ 150℃范围内具有优异的温度稳定性,实现了压电性能与温度稳定性之间的平衡与妥协。
{"title":"Piezoelectric, ferroelectric and mechanical properties of Li-doped PNN-PHT ceramics","authors":"Wenjing Bi,&nbsp;Jingwen Sun,&nbsp;Chenyang Zhang,&nbsp;Yunfei Bai,&nbsp;Shichao Zhou,&nbsp;Xinyang Gao,&nbsp;Heming Li,&nbsp;Tianzi Yin,&nbsp;Yi Zhang,&nbsp;Jigong Hao,&nbsp;Juan Du,&nbsp;Peng Li,&nbsp;Peng Fu,&nbsp;Chaolei Ban,&nbsp;Wei Li","doi":"10.1007/s10832-025-00400-5","DOIUrl":"10.1007/s10832-025-00400-5","url":null,"abstract":"<div><p>Piezoelectric ceramics are widely used in aviation, aerospace, communications, weapons, electronics and other high-tech fields. This study focuses on high piezoelectric Pb(Nb<sub>2/3</sub>Ni<sub>1/3</sub>)O<sub>3</sub>-Pb(Hf<sub>1/2</sub>Ti<sub>1/2</sub>)O<sub>3</sub> (PNN-PHT) binary ceramic as the research matrix. By doping Li<sub>2</sub>CO<sub>3</sub>, the Curie temperature is increased, and the effects of doping concentration on microstructure, phase structure, and electrical performances of the ceramics are discussed. The study found that all ceramics were rhombohedral -tetragonal mixed phases, and no impurity phases were generated. When <i>x</i> = 0.20, the samples have the best mass density <i>ρ</i> = 8.0291 g/cm<sup>3</sup>, the best piezoelectric constant <i>d</i><sub>33</sub> = 702 pC/N, the largest signal piezoelectric constant <i>d</i><sub>33</sub>* = 943 pm/V, the largest strain value <i>S</i> = 0.56%, the highest electromechanical coupling coefficient <i>k</i><sub>p</sub> = 51.9%, excellent hardness <i>H</i> = 4.5221 GPa and fracture toughness <i>K</i><sub>IC</sub> = 1.06 MPa•m<sup>0.5</sup>, and a higher Curie temperature <i>T</i><sub>C</sub> = 155 <sup>o</sup>C. At the same time, the <i>x</i> = 0.20 sample has excellent temperature stability in 20 ~ 150 <sup>o</sup>C, achieving a balance and compromise between piezoelectric properties and temperature stability.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"347 - 356"},"PeriodicalIF":2.6,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Enhanced electric field induced strain of Hf4+ doped 0.67BiFeO3-0.33BaTiO3 lead-free piezoelectric ceramics 掺Hf4+的0.67BiFeO3-0.33BaTiO3无铅压电陶瓷的增强电场致应变
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-04-14 DOI: 10.1007/s10832-025-00396-y
Dongfang Pang, Minghui Chen, Tianyong Zhang, Guojun Huang

High-temperature solid-phase method were used to prepare lead-free piezoelectric ceramics of 0.67BiFeO3-0.3BaTi1 − xHfxO3 and the effects of B-site Hf4+ doping on the microstructure, dielectric properties, and ferroelectric properties of the ceramics were investigated systematically. The results have shown that partial substitution of Hf4+ for Ti4+ did not cause significant changes in the phase structure, and the components remained in the multi-phase boundary region where tetragonal and rhombohedral structures coexisted, resulting from the same electricity price and small differences of Hf4+/Ti4+ ion radius. However, doping with Hf4+ can effectively increase the content of Fe3+ and reduce the leakage current of BFO-BT binary system. The Curie temperature of BFO-BT-0.05Hf ceramic is 387 ℃, which effectively maintaining the high Curie point of the BFO-BT binary system. The undoped BFO-BT exhibits a typical ferroelectric P-E hysteresis loop, with Pr=26.47µC/cm2 and EC=34.54 kV/cm. After appropriate modification with Hf4+, the ferroelectric properties of the BFO-BT system were significantly improved, with Pr of 33.34 µC/cm2 and EC of 31.90 kV/cm for BFO-BT-0.05Hf. The strain of BFO-BT-0.05Hf ceramic at room temperature is 0.19%. Meanwhile, the electric field induced-strain of the ceramic at 125 ℃ and 80 kV/cm is 0.43%, and the high-field piezoelectric coefficient (d33*) is 543 pm/V.

采用高温固相法制备了0.67BiFeO3-0.3BaTi1−xHfxO3无铅压电陶瓷,系统研究了b位Hf4+掺杂对陶瓷微观结构、介电性能和铁电性能的影响。结果表明:Hf4+对Ti4+的部分取代没有引起相结构的明显变化,组分保持在四边形和菱形体结构共存的多相边界区域,这是由于Hf4+/Ti4+离子半径差异不大,电价相同所致。而掺入Hf4+能有效提高BFO-BT二元体系中Fe3+的含量,降低其漏电流。BFO-BT-0.05 hf陶瓷的居里温度为387℃,有效地保持了BFO-BT二元体系的高居里点。未掺杂的BFO-BT表现出典型的铁电P-E滞回线,Pr=26.47µC/cm2, EC=34.54 kV/cm。经过适当的Hf4+改性后,BFO-BT体系的铁电性能得到了显著改善,BFO-BT-0.05 hf的Pr为33.34µC/cm2, EC为31.90 kV/cm。BFO-BT-0.05Hf陶瓷室温应变为0.19%。同时,该陶瓷在125℃、80 kV/cm条件下的电场感应应变为0.43%,高场压电系数(d33*)为543 pm/V。
{"title":"Enhanced electric field induced strain of Hf4+ doped 0.67BiFeO3-0.33BaTiO3 lead-free piezoelectric ceramics","authors":"Dongfang Pang,&nbsp;Minghui Chen,&nbsp;Tianyong Zhang,&nbsp;Guojun Huang","doi":"10.1007/s10832-025-00396-y","DOIUrl":"10.1007/s10832-025-00396-y","url":null,"abstract":"<div><p>High-temperature solid-phase method were used to prepare lead-free piezoelectric ceramics of 0.67BiFeO<sub>3</sub>-0.3BaTi<sub>1 − <i>x</i></sub>Hf<sub><i>x</i></sub>O<sub><i>3</i></sub> and the effects of B-site Hf<sup>4+</sup> doping on the microstructure, dielectric properties, and ferroelectric properties of the ceramics were investigated systematically. The results have shown that partial substitution of Hf<sup>4+</sup> for Ti<sup>4+</sup> did not cause significant changes in the phase structure, and the components remained in the multi-phase boundary region where tetragonal and rhombohedral structures coexisted, resulting from the same electricity price and small differences of Hf<sup>4+</sup>/Ti<sup>4+</sup> ion radius. However, doping with Hf<sup>4+</sup> can effectively increase the content of Fe<sup>3+</sup> and reduce the leakage current of BFO-BT binary system. The Curie temperature of BFO-BT-0.05Hf ceramic is 387 ℃, which effectively maintaining the high Curie point of the BFO-BT binary system. The undoped BFO-BT exhibits a typical ferroelectric P-E hysteresis loop, with <i>P</i><sub><i>r</i></sub>=26.47µC/cm<sup>2</sup> and <i>E</i><sub><i>C</i></sub>=34.54 kV/cm. After appropriate modification with Hf<sup>4+</sup>, the ferroelectric properties of the BFO-BT system were significantly improved, with <i>P</i><sub><i>r</i></sub> of 33.34 µC/cm<sup>2</sup> and <i>E</i><sub><i>C</i></sub> of 31.90 kV/cm for BFO-BT-0.05Hf. The strain of BFO-BT-0.05Hf ceramic at room temperature is 0.19%. Meanwhile, the electric field induced-strain of the ceramic at 125 ℃ and 80 kV/cm is 0.43%, and the high-field piezoelectric coefficient (<i>d</i><sub><i>33</i></sub><sup><i>*</i></sup>) is 543 pm/V.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"335 - 346"},"PeriodicalIF":2.6,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 investigation of Ruddlesden Popper phase La2XO4(X = Zn, Ca, Mg, and Be) compounds with multifunctional properties for flexible photovoltaic applications 柔性光伏用Ruddlesden Popper相La2XO4(X = Zn, Ca, Mg, Be)化合物的理论研究
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-04-11 DOI: 10.1007/s10832-025-00395-z
Ahmad Hussain, Nawishta Jabeen, Sumaira Zafar, Manal F. Abou Taleb, Mohamed M. Ibrahim

In this work, Ruddlesden popper phase (RPP) family member with formula La2XO4 has been explored by using theoretical quantum computational method CASTEP code to analyze its electronic, optical, and mechanical properties. Moreover, density functional perturbation theory has been employed to calculate the thermodynamic properties of the compounds. Results revel that these compounds have zero-point energy ranging from 0.8648 to 1.0875 eV which is important for solar applications since it affects electron-phonon coupling, bandgap, and material stability. Heat capacity clearly rises with temperature, approaching to Dulong–Petit limit at approximately 600 K. Electronic structure analysis revels that the compounds are semiconductor in nature with direct bandgaps for La2ZnO4 (1.62 eV) and La2CaO4 (2.09 eV) while La2MgO4 (3.40 eV) and La2BeO4 (3.56 eV) demonstrate indirect bandgaps. Optical features of the compounds are also analyzed including dielectric function, optical conductivity, absorption coefficient, extinction coefficient, reflectivity, refractive index, and loss function for photovoltaic applications. Notably, high values of absorption coefficient (105 cm− 1), dielectric function (10), optical conductivity (8 fs− 1), refractive index ranging from 3 to 4 lie in the visible and near UV range. Additionally, elastic properties confirm the ductile nature of these materials, supporting their suitability for flexible photovoltaic and optoelectronic applications.

本文利用理论量子计算方法CASTEP代码对公式为La2XO4的Ruddlesden popper相(RPP)族成员进行了研究,分析了其电子、光学和力学性质。此外,利用密度泛函微扰理论计算了化合物的热力学性质。结果表明,这些化合物的零点能量范围为0.8648 ~ 1.0875 eV,这对太阳能应用具有重要意义,因为它影响电子-声子耦合、带隙和材料稳定性。热容明显随温度升高而升高,在约600k时接近杜隆-珀蒂极限。电子结构分析表明,化合物具有半导体性质,La2ZnO4 (1.62 eV)和La2CaO4 (2.09 eV)具有直接带隙,La2MgO4 (3.40 eV)和La2BeO4 (3.56 eV)具有间接带隙。还分析了化合物的光学特性,包括介电函数、光学电导率、吸收系数、消光系数、反射率、折射率和光电应用的损耗函数。值得注意的是,在可见光和近紫外范围内,吸收系数(105 cm−1)、介电函数(10)、光学电导率(8 fs−1)和折射率(3 ~ 4)的值都很高。此外,弹性特性证实了这些材料的延展性,支持它们适用于柔性光伏和光电子应用。
{"title":"Theoretical investigation of Ruddlesden Popper phase La2XO4(X = Zn, Ca, Mg, and Be) compounds with multifunctional properties for flexible photovoltaic applications","authors":"Ahmad Hussain,&nbsp;Nawishta Jabeen,&nbsp;Sumaira Zafar,&nbsp;Manal F. Abou Taleb,&nbsp;Mohamed M. Ibrahim","doi":"10.1007/s10832-025-00395-z","DOIUrl":"10.1007/s10832-025-00395-z","url":null,"abstract":"<div><p>In this work, Ruddlesden popper phase (RPP) family member with formula La<sub>2</sub>XO<sub>4</sub> has been explored by using theoretical quantum computational method CASTEP code to analyze its electronic, optical, and mechanical properties. Moreover, density functional perturbation theory has been employed to calculate the thermodynamic properties of the compounds. Results revel that these compounds have zero-point energy ranging from 0.8648 to 1.0875 eV which is important for solar applications since it affects electron-phonon coupling, bandgap, and material stability. Heat capacity clearly rises with temperature, approaching to Dulong–Petit limit at approximately 600 K. Electronic structure analysis revels that the compounds are semiconductor in nature with direct bandgaps for La<sub>2</sub>ZnO<sub>4</sub> (1.62 eV) and La<sub>2</sub>CaO<sub>4</sub> (2.09 eV) while La<sub>2</sub>MgO<sub>4</sub> (3.40 eV) and La<sub>2</sub>BeO<sub>4</sub> (3.56 eV) demonstrate indirect bandgaps. Optical features of the compounds are also analyzed including dielectric function, optical conductivity, absorption coefficient, extinction coefficient, reflectivity, refractive index, and loss function for photovoltaic applications. Notably, high values of absorption coefficient (10<sup>5</sup> cm<sup>− 1</sup><sub>)</sub>, dielectric function (10), optical conductivity (8 fs<sup>− 1</sup>), refractive index ranging from 3 to 4 lie in the visible and near UV range. Additionally, elastic properties confirm the ductile nature of these materials, supporting their suitability for flexible photovoltaic and optoelectronic applications.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"321 - 334"},"PeriodicalIF":2.6,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Dielectric relaxation in Ba0.95Bi0.05TiO3 and Ba0.85Bi0.15TiO3 ceramics synthesized by sol - gel method 溶胶凝胶法制备Ba0.95Bi0.05TiO3和Ba0.85Bi0.15TiO3陶瓷的介电弛豫
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-04-09 DOI: 10.1007/s10832-025-00397-x
Nabiya Iqbal, Anju Dixit, Pramod S. Dobal

In this work, bismuth doped barium titanate was synthesized by the sol– gel method. The samples were prepared using the chemical formula, Ba1 − xBixTiO3 in which compositions corresponding to x = 0.05 and 0.15 i.e., Ba0.95Bi0.05TiO3 (BBT5) and Ba0.85Bi0.15TiO3 (BBT15), showed a relaxor - type behavior. The temperature and frequency dependent dielectric measurements, were made which clearly showed that the peak corresponding to the dielectric maxima shifted towards higher temperature as frequency is increased in both the cases. The calculated values of the index of relaxation and the broadening parameter from the linear fit of the experimental data which was plotted according to the modified Curie– Weiss law also supported this behavior. At 500 kHz, the index of relaxation was calculated as 1.61 and 1.43 for BBT5 and BBT15 respectively and the broadening parameter as 121.5 K and 96.9 K for BBT5 and BBT15 respectively. It was also concluded that lower concentration of bismuth (x = 0.05) showed a better performance as compared to that of the higher one.

本文采用溶胶-凝胶法制备了掺杂铋的钛酸钡。采用化学式Ba1−xBixTiO3制备样品,其中对应于x = 0.05和0.15的成分即Ba0.95Bi0.05TiO3 (BBT5)和Ba0.85Bi0.15TiO3 (BBT15)表现出松弛型行为。对温度和频率相关的介电测量结果清楚地表明,在两种情况下,随着频率的增加,与介电最大值相对应的峰值向更高的温度移动。根据修正的居里-魏斯定律对实验数据进行线性拟合得到的弛豫指数和展宽参数的计算值也支持这一行为。在500 kHz时,BBT5和BBT15的弛豫指数分别为1.61和1.43,BBT5和BBT15的展宽参数分别为121.5 K和96.9 K。结果表明,低浓度铋(x = 0.05)比高浓度铋表现出更好的性能。
{"title":"Dielectric relaxation in Ba0.95Bi0.05TiO3 and Ba0.85Bi0.15TiO3 ceramics synthesized by sol - gel method","authors":"Nabiya Iqbal,&nbsp;Anju Dixit,&nbsp;Pramod S. Dobal","doi":"10.1007/s10832-025-00397-x","DOIUrl":"10.1007/s10832-025-00397-x","url":null,"abstract":"<div><p>In this work, bismuth doped barium titanate was synthesized by the sol– gel method. The samples were prepared using the chemical formula, Ba<sub>1 − x</sub>Bi<sub>x</sub>TiO<sub>3</sub> in which compositions corresponding to x = 0.05 and 0.15 i.e., Ba<sub>0.95</sub>Bi<sub>0.05</sub>TiO<sub>3</sub> (BBT5) and Ba<sub>0.85</sub>Bi<sub>0.15</sub>TiO<sub>3</sub> (BBT15), showed a relaxor - type behavior. The temperature and frequency dependent dielectric measurements, were made which clearly showed that the peak corresponding to the dielectric maxima shifted towards higher temperature as frequency is increased in both the cases. The calculated values of the index of relaxation and the broadening parameter from the linear fit of the experimental data which was plotted according to the modified Curie– Weiss law also supported this behavior. At 500 kHz, the index of relaxation was calculated as 1.61 and 1.43 for BBT5 and BBT15 respectively and the broadening parameter as 121.5 K and 96.9 K for BBT5 and BBT15 respectively. It was also concluded that lower concentration of bismuth (x = 0.05) showed a better performance as compared to that of the higher one.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"312 - 320"},"PeriodicalIF":2.6,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
A DFT study of Alkaline-earth-metal-doped Hf1 − xAxO2(A = Be, Mg, Ca) for photovolataic applications 碱土金属掺杂Hf1−xAxO2(A = Be, Mg, Ca)在光伏应用中的DFT研究
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-04-07 DOI: 10.1007/s10832-025-00394-0
Abrar Nazir, Ali B. M. Ali, Ejaz Ahmad Khera, Mudassar Ameen, Mumtaz Manzoor, Sadaf Sahid, V. Revathi, Mohamed Kallel, Shoira Formanova, Ramesh Sharma

In this work, Density Functional Theory (DFT) has been employed to examine the structural, electronic, magnetic and optical characteristics of alkaline earth metals doped (Be, Mg and Ca) doped (Hf1-xAxO2) alloys using the FP-LAPW (full-potential augmented plane wave plus local orbital) method and GGA and TB-mBJ exchange correlation methods. All studied compounds are structurally stable due to negative (formation energy) values. The computed results, including the band gap and lattice characteristics, correspond well with the existing experimental results. According to the band structure and density of states calculation, Hf1-xAxO2 has wider band gaps for spin up configuration and reduced energy gaps of 4.71 3.41, 3.35 and 3.02 eV has been found for pure c-HfO2, Hf1-xMgxO2, Hf1-xCaxO2 and Hf1-xBexO2 respectively. The PDOS results demonstrate that the formation of conduction and valance bands is due to Hf-6s orbitals and Mg/Ca/Be-s states. Additionally, we have investigated the optical characteristics that correspond to the real and imaginary portion of the dielectric function in the region of 0–12 eV, such as absorption coefficient, optical conductivity, refractive index, reflectivity and energy loss function. Moreover, Hf1-xCaxO2 has a wide range of absorption in the UV-visible region, which indicates that this material is suitable for opto-electronic and solar cell applications. The refractive index suggests that Hf1-xCaxO2 could be a potential candidate for applications to high-density optical data storage devices.

本文采用密度泛函理论(DFT),利用FP-LAPW(全势增强平面波加局部轨道)方法和GGA和TB-mBJ交换相关方法,研究了碱土金属(Be, Mg和Ca)掺杂(Hf1-xAxO2)合金的结构、电子、磁性和光学特性。所有被研究的化合物由于具有负的(地层能)值而结构稳定。计算结果包括带隙和晶格特性,与已有的实验结果吻合较好。根据能带结构和态密度计算,纯c-HfO2、Hf1-xMgxO2、Hf1-xCaxO2和Hf1-xBexO2具有更宽的自旋向上能带隙,能隙分别减小为4.71、3.41、3.35和3.02 eV。PDOS结果表明,Hf-6s轨道和Mg/Ca/Be-s态是形成导电带和价带的主要原因。此外,我们还研究了0-12 eV范围内介电函数实部和虚部对应的光学特性,如吸收系数、光学电导率、折射率、反射率和能量损失函数。此外,Hf1-xCaxO2在紫外可见区具有广泛的吸收范围,这表明该材料适合光电和太阳能电池应用。折射率表明Hf1-xCaxO2可能是高密度光学数据存储器件的潜在候选材料。
{"title":"A DFT study of Alkaline-earth-metal-doped Hf1 − xAxO2(A = Be, Mg, Ca) for photovolataic applications","authors":"Abrar Nazir,&nbsp;Ali B. M. Ali,&nbsp;Ejaz Ahmad Khera,&nbsp;Mudassar Ameen,&nbsp;Mumtaz Manzoor,&nbsp;Sadaf Sahid,&nbsp;V. Revathi,&nbsp;Mohamed Kallel,&nbsp;Shoira Formanova,&nbsp;Ramesh Sharma","doi":"10.1007/s10832-025-00394-0","DOIUrl":"10.1007/s10832-025-00394-0","url":null,"abstract":"<div><p>In this work, Density Functional Theory (DFT) has been employed to examine the structural, electronic, magnetic and optical characteristics of alkaline earth metals doped (Be, Mg and Ca) doped (Hf<sub>1-x</sub>A<sub>x</sub>O<sub>2</sub>) alloys using the FP-LAPW (full-potential augmented plane wave plus local orbital) method and GGA and TB-mBJ exchange correlation methods. All studied compounds are structurally stable due to negative (formation energy) values. The computed results, including the band gap and lattice characteristics, correspond well with the existing experimental results. According to the band structure and density of states calculation, Hf<sub>1-x</sub>A<sub>x</sub>O<sub>2</sub> has wider band gaps for spin up configuration and reduced energy gaps of 4.71 3.41, 3.35 and 3.02 eV has been found for pure c-HfO<sub>2</sub>, Hf<sub>1-x</sub>Mg<sub>x</sub>O<sub>2,</sub> Hf<sub>1-x</sub>Ca<sub>x</sub>O<sub>2</sub> and Hf<sub>1-x</sub>Be<sub>x</sub>O<sub>2</sub> respectively. The PDOS results demonstrate that the formation of conduction and valance bands is due to Hf-<i>6s</i> orbitals and Mg/Ca/Be-<i>s</i> states. Additionally, we have investigated the optical characteristics that correspond to the real and imaginary portion of the dielectric function in the region of 0–12 eV, such as absorption coefficient, optical conductivity, refractive index, reflectivity and energy loss function. Moreover, Hf<sub>1-x</sub>Ca<sub>x</sub>O<sub>2</sub> has a wide range of absorption in the UV-visible region, which indicates that this material is suitable for opto-electronic and solar cell applications. The refractive index suggests that Hf<sub>1-x</sub>Ca<sub>x</sub>O<sub>2</sub> could be a potential candidate for applications to high-density optical data storage devices.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"269 - 280"},"PeriodicalIF":2.6,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Enhanced dielectric properties of BaFe0.5Ta0.5O3 ceramics synthesized via molten salt technique 熔盐法合成BaFe0.5Ta0.5O3陶瓷的介电性能增强
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-03-24 DOI: 10.1007/s10832-025-00393-1
Thanatep Phatungthane, Ratabongkot Sanjoom, Suriya Prasomthong, Gobwute Rujijanagul

In this investigation, we report the synthesis of barium iron tantalate (BaFe0.5Ta0.5O3; BFT) utilizing the molten salt method. The process yielded pure-phase perovskite powders at the relatively low calcination temperature of 700 °C. Subsequent fabrication of BFT ceramics from these calcined powders revealed notable properties. X-ray diffraction (XRD) analysis confirmed the cubic symmetry of the ceramics. All samples exhibited pronounced frequency-dependent dielectric behavior, with those sintered at 1,250 °C demonstrating particularly remarkable properties. Specifically, these ceramics achieved exceptionally high dielectric constants (εr ~ 5.30 × 105 at 1 kHz and 230 °C). Impedance spectroscopic analysis revealed that the dielectric behavior of the ceramics can be attributed to the Maxwell–Wagner polarization mechanism, as the ceramics demonstrated heterogeneous conduction.

在这项研究中,我们报道了利用熔盐法合成钽酸钡铁(BaFe0.5Ta0.5O3; BFT)。该工艺在相对较低的煅烧温度(700℃)下制得纯相钙钛矿粉末。随后用这些煅烧粉末制备的BFT陶瓷显示出显著的性能。x射线衍射(XRD)分析证实了陶瓷的立方对称性。所有样品都表现出明显的频率相关介电行为,其中在1250°C烧结的样品表现出特别显著的性能。具体来说,这些陶瓷在1 kHz和230°C时获得了极高的介电常数(εr ~ 5.30 × 105)。阻抗谱分析表明,陶瓷的介电行为可归因于麦克斯韦-瓦格纳极化机制,陶瓷表现出非均质导电。
{"title":"Enhanced dielectric properties of BaFe0.5Ta0.5O3 ceramics synthesized via molten salt technique","authors":"Thanatep Phatungthane,&nbsp;Ratabongkot Sanjoom,&nbsp;Suriya Prasomthong,&nbsp;Gobwute Rujijanagul","doi":"10.1007/s10832-025-00393-1","DOIUrl":"10.1007/s10832-025-00393-1","url":null,"abstract":"<div><p>In this investigation, we report the synthesis of barium iron tantalate (BaFe<sub>0.5</sub>Ta<sub>0.5</sub>O<sub>3</sub>; BFT) utilizing the molten salt method. The process yielded pure-phase perovskite powders at the relatively low calcination temperature of 700 °C. Subsequent fabrication of BFT ceramics from these calcined powders revealed notable properties. X-ray diffraction (XRD) analysis confirmed the cubic symmetry of the ceramics. All samples exhibited pronounced frequency-dependent dielectric behavior, with those sintered at 1,250 °C demonstrating particularly remarkable properties. Specifically, these ceramics achieved exceptionally high dielectric constants (ε<sub>r</sub> ~ 5.30 × 10<sup>5</sup> at 1 kHz and 230 °C). Impedance spectroscopic analysis revealed that the dielectric behavior of the ceramics can be attributed to the Maxwell–Wagner polarization mechanism, as the ceramics demonstrated heterogeneous conduction.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 3","pages":"305 - 311"},"PeriodicalIF":2.6,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
期刊
Journal of Electroceramics
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1