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Density functional quantum screening of the structural, electronic, phonon, and thermophysical properties of Cu-based chalcogenides for interface thermal performance and energy applications cu基硫族化合物的结构、电子、声子和热物理性质的密度泛函量子筛选,用于界面热性能和能量应用
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-11 DOI: 10.1007/s10832-024-00369-7
Zeesham Abbas, Kisa Fatima, Shafaat Hussain Mirza, Amna Parveen, Shabbir Muhammad

Researchers are actively prioritizing the development of ecologically friendly and energy-efficient materials for renewable energy devices, such as thermoelectric generators, to tackle the upcoming energy concerns. We have performed an extensive examination of the structural, phonon, electronic, thermoelectric, and thermodynamic properties of Cu-based chalcogenides TMCu3S4 (TM = V/Nb/Ta) for their prospective application in renewable energy technologies. The use of the GGA method within the framework of density functional theory (DFT) enables a thorough examination of exchange and correlation energy potentials using first-principles computations. Based on the computed structural parameters, it is evident that TaCu3S4 is the most stable compound among TMCu3S4 (TM = V/Nb/Ta) due to its lowest ground state energy. TB-mBJ produced improved energy bandgaps of VCu3S4, NbCu3S4, and TaCu3S4 are 0.575, 0.725, and 0.824 eV, respectively. The figure of merit (ZT) values for VCu3S4, NbCu3S4, and TaCu3S4 are 0.997, 0.946, and 0.943, respectively, at 50 K for constant chemical potential. These values render them exceedingly suitable for utilization in thermoelectric (TE) devices. The thermoelectric properties of Cu-based chalcogenides TMCu3S4 (TM = V/Nb/Ta) indicate that these materials have great promise for energy-related applications. The thermodynamic analysis reveals that the TMCu3S4 (TM = V/Nb/Ta) chalcogenide materials are thermally stabile.

研究人员正在积极开发用于热电发电机等可再生能源设备的环保节能材料,以解决即将到来的能源问题。我们对cu基硫族化合物TMCu3S4 (TM = V/Nb/Ta)的结构、声子、电子、热电和热力学性质进行了广泛的研究,以期其在可再生能源技术中的应用前景。在密度泛函理论(DFT)框架内使用GGA方法可以使用第一性原理计算彻底检查交换和相关能势。根据计算的结构参数,TaCu3S4具有最低的基态能量,是TMCu3S4中最稳定的化合物(TM = V/Nb/Ta)。TB-mBJ提高了VCu3S4、NbCu3S4和TaCu3S4的能带隙,分别为0.575、0.725和0.824 eV。在50 K恒定化学势条件下,VCu3S4、NbCu3S4和TaCu3S4的ZT值分别为0.997、0.946和0.943。这些值使它们非常适合用于热电(TE)器件。cu基硫族化合物TMCu3S4 (TM = V/Nb/Ta)的热电性质表明这些材料在能源相关应用方面具有很大的前景。热力学分析表明,TMCu3S4 (TM = V/Nb/Ta)硫系材料具有热稳定性。
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引用次数: 0
Enhanced temperature stability of Li3Mg2NbO6-based ceramics by using LTC composite additives LTC复合添加剂增强了li3mg2nbo6基陶瓷的温度稳定性
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-10 DOI: 10.1007/s10832-024-00368-8
Jingru Xie, Zhifen Fu, Qing Cheng, Chen Chen, Yubin She, Xiangyi Li

The need for microwave dielectric ceramics is steadily growing along with the rapid advancement of wireless communication technology. The preparation of Li3Mg2NbO6-xwt% LiF-TiO2-CaF2 (LMN-LTC, x = 4, 6, 8, 10) ceramics was carried out using the solid-state reaction method. The two-phase structure of the LMN-LTC ceramics was shown by XRD investigation, with the main phase being LMN and the second phase Ca(TiO3). Due to the influence of additive LTC, the microwave dielectric properties of the LMN ceramics, especially the temperature stability were successfully regulated to near zero. The LMN ceramic with the addition of 6wt% LTC sintered at 1050 °C for 6 h exhibits outstanding microwave dielectric properties: εr = 13.0, Q × f = 42,000 GHz, τf = 1.76 ppm/°C. It is shown that LMN-6wt% LTC ceramic is promising for wireless communication applications.

随着无线通信技术的飞速发展,对微波介质陶瓷的需求不断增长。采用固相反应法制备了Li3Mg2NbO6-xwt% LiF-TiO2-CaF2 (LMN-LTC, x = 4,6,8,10)陶瓷。XRD表征了LMN- ltc陶瓷的两相结构,主相为LMN,第二相为Ca(TiO3)。由于添加剂LTC的影响,LMN陶瓷的微波介电性能,特别是温度稳定性被成功地调节到接近零。添加6wt% LTC的LMN陶瓷在1050°C下烧结6 h,表现出优异的微波介电性能:εr = 13.0, Q × f = 42,000 GHz, τf = 1.76 ppm/°C。结果表明,LMN-6wt% LTC陶瓷在无线通信领域具有广阔的应用前景。
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引用次数: 0
Structural, vibrational, magnetic, and dielectric properties of hexagonally ordered Cr-doped LuMn1 − xCrxO3 (0 ≤ x ≤ 0.08) manganite 六方有序掺铬LuMn1−xCrxO3(0≤x≤0.08)锰矿的结构、振动、磁性和介电性能
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-10 DOI: 10.1007/s10832-024-00371-z
Aadish Kumar Jain, Anchit Modi, Pradeep Kumar Sharma, Shubha Dubey, Ashutosh Mishra

This study examines how controlled doping of trivalent cations (Cr3+) at manganese (Mn3+) sites influences the structural, microstructural, vibrational, magnetic, and dielectric properties of LuMn1 − xCrxO3 (0 ≤ x ≤ 0.08) compounds. These compounds were synthesized using conventional solid-state reaction techniques. Rietveld-fitted X-ray diffraction reveals hexagonal crystal symmetry (P63cm space group) with reduced lattice parameters and volume due to Cr doping and ionic size mismatch. Room temperature Raman spectra show phonon peak shifts and reduced mode intensity, indicating structural disorder or internal stress in all samples. The magnetization outcomes reveal a weak ferromagnetic property across all samples, which can be enhanced with higher concentrations of Cr ions. The frequency-dependent dielectric properties and loss tangent (tan δ) at 300 K in all examined compounds demonstrate a decrease in dielectric constant and an increase in loss tangent. These changes are attributed to the double exchange interaction between Mn3+-O-Cr3+ cations, supported by the metallic character’s emergence. Our findings on improved magnetization and adjusted dielectric parameters represent progress in understanding multiferroic compounds.

本研究考察了三价阳离子(Cr3+)在锰(Mn3+)位点的可控掺杂如何影响LuMn1−xCrxO3(0≤x≤0.08)化合物的结构、微观结构、振动、磁性和介电性能。这些化合物是用传统的固相反应技术合成的。rietveld拟合x射线衍射显示,由于Cr掺杂和离子尺寸失配,晶格参数和体积减小,晶体呈六方对称(P63cm空间群)。室温拉曼光谱显示声子峰位移和模式强度降低,表明所有样品都存在结构紊乱或内应力。磁化结果表明,所有样品都具有弱铁磁性,且随Cr离子浓度的增加而增强。在300 K时,所有被测化合物的频率相关介电特性和损耗正切(tan δ)表明介电常数降低,损耗正切增加。这些变化归因于Mn3+-O-Cr3+阳离子之间的双重交换相互作用,并支持了金属特征的出现。我们在提高磁化强度和调整介电参数方面的发现代表了在理解多铁化合物方面的进展。
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引用次数: 0
Studies on synthesis, Raman, and electrical properties of novel spinel high entropy ceramics 新型尖晶石高熵陶瓷的合成、拉曼和电学性能研究
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-08 DOI: 10.1007/s10832-024-00370-0
Rajesh K. Mishra, E. B. Araújo, Rohit R. Shahi

Entropy-stabilized ceramics have attracted researchers significantly due to their potential vast multi-functional applications in various engineering fields. The present study emphasizes the synthesis, sintering temperature, Raman, and electrical behavior of a spinel (CoAlFeNTi)3O4 high entropy oxide (HEO). The HEO is synthesized through the modified solid-state reaction method at two different sintering temperatures (1100 °C and 1250 °C) and characterized further with the XRD, Raman, and SEM for structural and microstructural behavior. XRD analysis confirmed the formation of a single cubic spinel phase with the Fd-3 m space group. In addition, Raman analysis also confirmed that the synthesized HEOs have a spinel structure with an inverse spinel nature. With the enhancement of the sintering temperature, XRD analysis indicates that the crystallinity and crystallite size of the HEO enhanced. The current density (J) versus applied electric field (E) characteristics displayed that both 1100 °C and 1250 °C sintered HEOs possessed leakage current density at zero applied electric field and an ohmic conductance of (:4.59times:{10}^{-10}) mhos/cm and (:3.43times:{10}^{-10}) mhos/cm respectively. Moreover, J - E characteristics also showed that the enhancement of sintering temperature enhanced the resistive switching behavior of the different temperature sintered spinel HEOs. This improved resistive switching behavior in the J-E curve indicates that the synthesized spinel HEO can find potential application in resistive switching memory devices.

熵稳定陶瓷由于其在各个工程领域中具有广阔的多功能应用前景而备受关注。本研究着重研究了尖晶石(CoAlFeNTi)3O4高熵氧化物(HEO)的合成、烧结温度、拉曼和电学行为。在1100℃和1250℃两种不同烧结温度下,采用改进固相反应法制备了HEO,并用XRD、Raman和SEM对其结构和微观结构行为进行了表征。XRD分析证实形成了具有Fd-3 m空间基团的单一立方尖晶石相。此外,拉曼分析还证实了合成的HEOs具有尖晶石结构,具有反尖晶石性质。XRD分析表明,随着烧结温度的升高,HEO的结晶度和晶粒尺寸均有所提高。电流密度(J)与外加电场(E)特性表明,1100°C和1250°C烧结的heo在外加电场为零时具有泄漏电流密度,欧姆电导分别为(:4.59times:{10}^{-10}) mhos/cm和(:3.43times:{10}^{-10}) mhos/cm。此外,J - E特性还表明,烧结温度的提高增强了不同温度烧结尖晶石heo的电阻开关性能。J-E曲线阻性开关性能的改善表明,合成尖晶石HEO在阻性开关存储器件中具有潜在的应用前景。
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引用次数: 0
Efficient acetone sensing utilizing Co3O4-Embedded porous ZnO nanofibers 基于co3o4包埋多孔ZnO纳米纤维的高效丙酮传感
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-05 DOI: 10.1007/s10832-024-00367-9
Jiyeon Lee, Hyojung Kim, Muhammad Hilal, Zhicheng Cai

We introduce a high surface area sensor composed of Co3O4 nanoparticles (NPs) embedded within porous ZnO nanofibers (NFs), exhibiting a notable response to acetone. Initially, we synthesized polyvinylpyrrolidone (PVP) NFs containing zinc and cobalt salts via a simple electrospinning method. Subsequently, the calcination of the PVP NFs resulted in the formation of Co3O4 NPs embedded within the porous ZnO NFs. The heterostructure material demonstrated a significant response to 100 ppm acetone detection, with a ratio of electrical resistance in air (Ra) to that in the presence of gas (Rg) reaching 111 at its optimal operating temperature of 275 °C. Furthermore, it exhibited stable performance under high relative humidity conditions.

我们介绍了一种高表面积传感器,由嵌入多孔ZnO纳米纤维(NFs)的Co3O4纳米颗粒(NPs)组成,对丙酮表现出显著的响应。最初,我们通过简单的静电纺丝法合成了含有锌和钴盐的聚乙烯吡咯烷酮(PVP) NFs。随后,PVP NFs的煅烧导致在多孔ZnO NFs中嵌入Co3O4 NPs。该异质结构材料对100 ppm丙酮检测有显著响应,在275℃的最佳工作温度下,其在空气中的电阻比(Ra)与在气体中电阻比(Rg)达到111。此外,在高相对湿度条件下,它表现出稳定的性能。
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引用次数: 0
MgTiO3-based ceramics for enhanced EMI shielding solutions in K and Ka frequency bands mgtio3基陶瓷在K和Ka频段增强EMI屏蔽解决方案
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-05 DOI: 10.1007/s10832-024-00372-y
Jasdeep Singh, Shalini Bahel

This study investigates the microwave dielectric and shielding properties of MgTiO3-based solid solutions across the K (18–26.5 GHz) and Ka (26.5–40 GHz) frequency bands. Synthesized via a conventional solid-state mixed oxide route using MgO and Mg(OH)2 as raw materials, the dielectric properties of MgTiO3 and Mg(Ti0.95Sn0.05)O3 solid solutions varied with composition and raw material. Results showed that MgO-based materials exhibited higher relative permittivity (ɛr) and loss tangent (tan δ) compared to Mg(OH)2-based materials. Furthermore, the ɛr of the prepared samples decreased with Sn4+ substitution, attributed to the lower dielectric polarizability of Sn4+ cations compared to Ti4+ cations. Results also indicated a decrease in tan δ with Sn4+ substitution, resulting from a reduction in octahedral tilting upon partial replacement of Ti4+ cations with Sn4+ cations in MgTiO3. Shielding property characterization revealed that all samples exhibited frequency-selective and tunable shielding capabilities, with tuning achievable through variations in composition or shield thickness. Notably, in the K frequency band, MgO-based MgTiO3 exhibited superior dielectric properties, with a sample thickness of 2.9 mm achieving a shielding effectiveness (SE) of up to 35.62 dB at 22.30 GHz, effectively suppressing over 99.97% of incoming radiation. Similarly, in the Ka frequency band, MgO-based Mg(Ti0.95Sn0.05)O3 demonstrated remarkable SE, with a sample thickness of 1.8 mm reaching SE of 38.62 dB at 31.60 GHz, attenuating over 99.98% of incoming radiation. These findings suggest potential for frequency-selective and adjustable EMI shielding in next-gen technologies.

本研究研究了mgtio3基固溶体在K (18-26.5 GHz)和Ka (26.5-40 GHz)频段的微波介电和屏蔽性能。以MgO和Mg(OH)2为原料,采用传统的固态混合氧化物方法合成MgTiO3和Mg(Ti0.95Sn0.05)O3固溶体,其介电性能随组成和原料的不同而不同。结果表明,与Mg(OH)2基材料相比,mgo基材料具有更高的相对介电常数(r)和损耗正切(tan δ)。此外,Sn4+取代后,制备样品的ir降低,这是由于Sn4+阳离子的介电极化率比Ti4+阳离子低。结果还表明,Sn4+取代导致tan δ降低,这是由于MgTiO3中部分Ti4+阳离子被Sn4+阳离子取代后,八面体倾斜减少所致。屏蔽性能表征表明,所有样品都具有频率选择性和可调谐的屏蔽能力,可以通过改变成分或屏蔽厚度来实现调谐。值得注意的是,在K频段,mgo基MgTiO3表现出优异的介电性能,2.9 mm的样品厚度在22.30 GHz时的屏蔽效能(SE)高达35.62 dB,有效抑制99.97%以上的入射辐射。同样,在Ka频段,mgo基Mg(Ti0.95Sn0.05)O3表现出显著的SE,样品厚度为1.8 mm,在31.60 GHz时SE达到38.62 dB,衰减了99.98%以上的入射辐射。这些发现表明在下一代技术中具有频率选择性和可调EMI屏蔽的潜力。
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引用次数: 0
Structural, dielectric, and electrical studies of Sm-doped Sr0.95Ba0.05Bi2Nb2O9 lead-free relaxor ceramics sm掺杂Sr0.95Ba0.05Bi2Nb2O9无铅弛豫陶瓷的结构、介电和电学研究
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-04 DOI: 10.1007/s10832-024-00361-1
Mohamed Afqir, Didier Fasquelle, Amina Tachafine, Yingzhi Meng, Mohamed Elaatmani, Abdelhamid Oufakir, Mohamed Daoud

Raw materials were etched by nitric acid to release utterly carbon dioxide. An excess of citric acid was then employed as fuel to prime the combustion reaction for the synthesis of Sr0.95Ba0.05Bi2−xSmxNb2O9 (x = 0 (SrBi2Nb2O9), 0.1, and 0.2) compounds. X-ray diffraction, Fourier-transformed infrared, and Raman techniques revealed quite certain that there is a link between dopant amounts and structural changes. One is that the cell volume was smoothly reduced. Second, the bond force constant decreased slightly when the dopant was introduced into the lattice. Even though the SrBi2Nb2O9 compound is not only doped by samarium but also by barium, samarium is the only dopant that affects dielectric and electrical properties. Doping with samarium enhances the dielectric constant at room temperature by reducing the Curie temperature, and it turns ferroelectric normal into relaxor behavior. The results of AC conductivity and electrical modulus laid out that one extreme defect was that a significant amount of cation exchange occurs in Sr0.95Ba0.05Bi2−xSmxNb2O9 samples and a large amount of oxygen vacancies were released. Overlapping large polaron tunneling model (OLPT) mechanisms was the adequate model for these compounds.

原料被硝酸腐蚀,完全释放二氧化碳。然后用过量的柠檬酸作为燃料,引发燃烧反应,合成Sr0.95Ba0.05Bi2−xSmxNb2O9 (x = 0 (SrBi2Nb2O9), 0.1和0.2)化合物。x射线衍射、傅里叶变换红外和拉曼技术相当肯定地揭示了掺杂量和结构变化之间的联系。一是细胞体积平滑地减小。其次,在晶格中引入掺杂剂后,结合力常数略有下降。尽管SrBi2Nb2O9化合物不仅掺杂了钐,而且还掺杂了钡,但钐是唯一影响介电性能和电学性能的掺杂剂。钐的掺入降低了居里温度,提高了室温下的介电常数,使铁电态变为弛豫态。交流电导率和电模量的结果表明,Sr0.95Ba0.05Bi2 - xSmxNb2O9样品的一个极端缺陷是发生了大量的阳离子交换,并释放了大量的氧空位。重叠大极化子隧道模型(OLPT)机制是这些化合物的合适模型。
{"title":"Structural, dielectric, and electrical studies of Sm-doped Sr0.95Ba0.05Bi2Nb2O9 lead-free relaxor ceramics","authors":"Mohamed Afqir,&nbsp;Didier Fasquelle,&nbsp;Amina Tachafine,&nbsp;Yingzhi Meng,&nbsp;Mohamed Elaatmani,&nbsp;Abdelhamid Oufakir,&nbsp;Mohamed Daoud","doi":"10.1007/s10832-024-00361-1","DOIUrl":"10.1007/s10832-024-00361-1","url":null,"abstract":"<div><p>Raw materials were etched by nitric acid to release utterly carbon dioxide. An excess of citric acid was then employed as fuel to prime the combustion reaction for the synthesis of Sr<sub>0.95</sub>Ba<sub>0.05</sub>Bi<sub>2−x</sub>Sm<sub>x</sub>Nb<sub>2</sub>O<sub>9</sub> (x = 0 (SrBi<sub>2</sub>Nb<sub>2</sub>O<sub>9</sub>), 0.1, and 0.2) compounds. X-ray diffraction, Fourier-transformed infrared, and Raman techniques revealed quite certain that there is a link between dopant amounts and structural changes. One is that the cell volume was smoothly reduced. Second, the bond force constant decreased slightly when the dopant was introduced into the lattice. Even though the SrBi<sub>2</sub>Nb<sub>2</sub>O<sub>9</sub> compound is not only doped by samarium but also by barium, samarium is the only dopant that affects dielectric and electrical properties. Doping with samarium enhances the dielectric constant at room temperature by reducing the Curie temperature, and it turns ferroelectric normal into relaxor behavior. The results of AC conductivity and electrical modulus laid out that one extreme defect was that a significant amount of cation exchange occurs in Sr<sub>0.95</sub>Ba<sub>0.05</sub>Bi<sub>2−x</sub>Sm<sub>x</sub>Nb<sub>2</sub>O<sub>9</sub> samples and a large amount of oxygen vacancies were released. Overlapping large polaron tunneling model (OLPT) mechanisms was the adequate model for these compounds.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"52 4","pages":"326 - 337"},"PeriodicalIF":1.7,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142925511","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
Spark plasma sintering of cerium (IV) oxide under a carbon dioxide atmosphere 氧化铈(IV)在二氧化碳气氛下的放电等离子烧结
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-10-01 DOI: 10.1007/s10832-024-00363-z
Anil Prasad, Linu Malakkal, Lukas Bichler, Jerzy Szpunar

Cerium dioxide (CeO2) finds extensive utility in electro ceramics applications, including solid oxide fuel cells, oxygen sensors, and catalysts. However, Spark Plasma Sintering (SPS) of CeO2 presents challenges due to the increased mobility of O2− ions in the presence of an electric field, as well as its reactivity with graphite tooling. Traditionally, CeO2 is sintered in an oxidative environment to prevent it from reducing to CeO2−δ or Ce2O3. Nevertheless, oxidative atmospheres are detrimental to the graphite and steel tooling used in SPS processing. In this study, we investigated CeO2 SPS in a CO2 atmosphere and observed slight increase in the relative density (RD) of the as-sintered samples in comparison to those sintered in an Ar atmosphere. The improved densification is attributed to reduced formation of oxygen vacancies in the CO2 atmosphere. Furthermore, the reaction between CeO2 and graphite generates COx gases, and that reaction can be reversed in a CO2 atmosphere. In summary, CeO2 SPS in a CO2 environment demonstrates superior densification, effectively mitigating the challenges associated with ionic mobility and graphite reactivity.

二氧化铈(CeO2)广泛应用于电陶瓷领域,包括固体氧化物燃料电池、氧传感器和催化剂。然而,火花等离子烧结(SPS)的CeO2提出了挑战,因为在电场的存在下O2−离子的迁移率增加,以及它与石墨工具的反应性。传统上,CeO2在氧化环境中烧结,以防止其还原为CeO2−δ或Ce2O3。然而,氧化气氛对SPS加工中使用的石墨和钢工具是有害的。在本研究中,我们研究了在CO2气氛中烧结的CeO2 SPS,并观察到与在Ar气氛中烧结的样品相比,烧结样品的相对密度(RD)略有增加。致密化的改善是由于CO2大气中氧空位的形成减少了。此外,CeO2和石墨之间的反应产生COx气体,并且该反应可以在CO2大气中逆转。综上所述,CeO2 SPS在CO2环境下表现出优异的致密性,有效地缓解了离子迁移率和石墨反应性带来的挑战。
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引用次数: 0
An overview of the optical and magnetic properties of Ba0.6Cd0.4TiO3 micro rods prepared by the facile sol-gel approach for spintronic applications 溶胶-凝胶法制备自旋电子用Ba0.6Cd0.4TiO3微棒的光学和磁性研究
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-28 DOI: 10.1007/s10832-024-00366-w
D. Ravikumar, S. C. Jeyakumar, V. Sherlin Vinita, S. Usharani, S. Sahaya Jude Dhas, D. Senthil Kumar, Abdulrahman I. Almansour, C. S. Biju

Over the years, there has been a relentless approach to manufacturing magnetic materials with a required magnetism whereby they could be tuned for a specific purpose such that there can be a lot of scope for pumping in new materials of technological importance. Because of its innovative uses in spintronic devices, titanate-based magnetic materials have received a lot of scientific as well as pioneering research recognition. Ba0.6Cd0.4TiO3 micro rods have been prepared in the current experimental study using the simple sol-gel technique. Ba0.6Cd0.4TiO3 has a rod-like morphology with a diameter of around 404–744 nm and a lattice strain (ϵ) of 5.4 × 10− 4 and dislocation density (δ) of 1.34 × 1014 m− 2, as seen by the W-H plot constructed from the XRD data. XPS analysis clearly indicates that the relatively small ferromagnetism perceived in Ba0.6Cd0.4TiO3 is caused by Ba defects or Ti3+ ions. Using the absorbance spectrum, the value of 3.18 eV is computed as the optical band gap. A low saturation magnetization, Ms = 3.58 × 10− 3 emu/g, a remanence, Mr = 2.72 × 10− 4 emu/g, and a coercivity, Hc = 122.45 Oe are additional characteristics observed for the micro rods in room-temperature ferromagnetism (RTFM). The RTFM observed in this study suggests that the synthesized microrods would be suitable for utilization in the developing field of spintronic devices.

多年来,一直有一种不懈的方法来制造磁性材料,使其具有所需的磁性,从而可以根据特定的目的进行调整,从而可以有很大的空间来泵入具有重要技术意义的新材料。由于其在自旋电子器件中的创新应用,钛酸盐基磁性材料已经获得了许多科学以及开创性研究的认可。本实验采用简单的溶胶-凝胶技术制备了Ba0.6Cd0.4TiO3微棒。从XRD数据绘制的W-H图中可以看出,Ba0.6Cd0.4TiO3具有棒状形貌,直径约为404 ~ 744 nm,晶格应变(λ)为5.4 × 10−4,位错密度(δ)为1.34 × 1014 m−2。XPS分析清楚地表明,Ba0.6Cd0.4TiO3中相对较小的铁磁性是由Ba缺陷或Ti3+离子引起的。利用吸光度谱计算出3.18 eV的光带隙。在室温铁磁(RTFM)中,微棒具有低饱和磁化强度(Ms = 3.58 × 10−3 emu/g)、剩磁强度(Mr = 2.72 × 10−4 emu/g)和矫顽力(Hc = 122.45 Oe)。本研究观察到的RTFM表明,所合成的微棒在自旋电子器件的开发领域具有一定的应用前景。
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引用次数: 0
Ionic-conductive poly (vinylidene fluoride) polymer as a versatile binder to stabilize high-voltage LiCoO2 cathode materials 离子导电聚偏氟乙烯聚合物作为稳定高电压LiCoO2正极材料的通用粘结剂
IF 1.7 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-27 DOI: 10.1007/s10832-024-00364-y
Yikui Wang, Jianming Tao, Jiangjie Wang, Shaoyang Chen, Yanmin Yang, Yingbin Lin

Serious structural irreversibility and interfacial side reactions pose major challenges for the stable operation of LiCoO2 cathodes at high voltages. Herein, we report a polymer-based solid electrolyte (SLP) composed succinonitrile, LiTFSI and PVDF as a binder to address these issues. The SLP binder exhibits superior performance compared to traditional PVDF and PVDF binders with LiTFSI, with higher ionic conductivity (8.46 × 10− 5 S cm− 1 at 30 ℃), lower activation energy of 0.38 eV and excellent adhesion. Even with just 3% SLP binder, LiCoO2 cathode operating at a cutoff voltage of 4.6 V and loaded with ~ 6.0 mg cm− 2 active material demonstrates improved rate capability at higher compaction densities, delivering a discharge specific capacity of 146.5 mAh g− 1 after 100 cycles at 0.5 C-rate. The SLP binder not only enhances Li+ conduction but also facilitates the formation of a stable cathode-electrolyte interphase, thus reducing the Li+ diffusion barrier and interface polarization, and enhancing battery’s performance at low temperature. Furthermore, the SPL binder’s high compatibility and elasticity with the electrolyte mitigate irreversible structural changes and volume expansion in LiCoO2 during cycling, leading to better preservation of the layered structure and lower internal stress for stable cycling under high temperatures. This strategy provides a novel interface protection idea for electroceramic cathode materials and may facilitate commercial development.

严重的结构不可逆性和界面副反应是LiCoO2阴极在高压下稳定工作的主要挑战。在此,我们报道了一种由丁二腈、LiTFSI和PVDF组成的聚合物基固体电解质(SLP)作为粘合剂来解决这些问题。与传统PVDF和含LiTFSI的PVDF粘结剂相比,SLP粘结剂具有更高的离子电导率(30℃时为8.46 × 10−5 S cm−1)、更低的活化能(0.38 eV)和优异的附着力。即使只有3%的SLP粘结剂,LiCoO2阴极在4.6 V的截止电压下工作,并加载了~ 6.0 mg cm - 2活性材料,在更高的压实密度下表现出更高的倍率能力,在0.5 C-rate下循环100次后,放电比容量达到146.5 mAh g - 1。SLP粘结剂不仅增强了Li+的导电性,而且有利于形成稳定的阴极-电解质界面相,从而减少Li+的扩散势垒和界面极化,提高电池的低温性能。此外,SPL粘合剂与电解质的高相容性和弹性减轻了循环过程中LiCoO2中不可逆的结构变化和体积膨胀,从而更好地保留了层状结构,降低了高温下稳定循环的内应力。该策略为电陶瓷正极材料提供了一种新的界面保护思路,有利于商业化开发。
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Journal of Electroceramics
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