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Synthesis and characterization of modified bismuth ferrite (1-x)BiFeO3 -x(BiK)Ti/MnO3, (x = 0.15, 0.20) 改性铋铁氧体(1-x)BiFeO3 -x(BiK)Ti/MnO3, (x = 0.15, 0.20)的合成与表征
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-03-14 DOI: 10.1007/s10832-025-00387-z
S. K. Sourav, R. N. P. Choudhary, Umakant Prasad

In the present era, the main aim of the researchers is to develop lead-free materials for ferroelectric material devices. Ceramics of perovskite compounds were successfully synthesized using a chemical decomposition method, with the composition (1-x) BiFeO3-x(Bi K)TiMnO3, where x was varied at 0.15 and 0.20. The average crystallite size for BKTM with 15% content and BKTM with 20% content was determined utilizing the Scherrer formula, resulting in 25.34 nm and 24.35 nm, respectively. The confirmation of compound creation was based on the analysis of Crystelloplotic XRD pattern data. The BKTM 15% exhibits an average grain size of 0.41 µm, while BKTM 20% shows 0.40 µm. Energy-dispersive X-ray analysis detected elements such as Bi, Fe, Na, K, Ti, and Mn. Modulus property exploration revealed non-Debye model relaxation behavior, which was observed particularly for sensor technology applications. To investigate the relaxation and conduction mechanisms in these samples were conducted at different temperatures and recurrence. Additionally, the scanning electron microscope (SEM) was employed to examine particle allocation and the location of grain boundaries. Impedance spectroscopic studies covered a wide temperature range (300 K-780 K) and a broad recurrence range (103–106 Hz). Complex plane and Impedance scale are semicircular arcs, which are related to the semiconducting character of the sample.

目前,研究人员的主要目标是开发用于铁电材料器件的无铅材料。采用化学分解方法成功合成了钙钛矿化合物的陶瓷,其组成为(1-x) BiFeO3-x(Bi K)TiMnO3,其中x在0.15和0.20之间变化。采用Scherrer公式测定了含量为15%和20%的BKTM的平均晶粒尺寸,分别为25.34 nm和24.35 nm。通过XRD晶型分析,确定了化合物的生成。15% BKTM的平均晶粒尺寸为0.41µm, 20% BKTM的平均晶粒尺寸为0.40µm。能量色散x射线分析检测到Bi、Fe、Na、K、Ti和Mn等元素。模量性质探索揭示了非debye模型松弛行为,特别是在传感器技术应用中观察到。为了研究这些样品在不同温度下的弛豫和传导机制。此外,利用扫描电镜(SEM)研究了颗粒的分布和晶界的位置。阻抗谱研究涵盖了较宽的温度范围(300 K-780 K)和较宽的循环范围(103-106 Hz)。复平面和阻抗标度均为半圆弧,这与样品的半导体特性有关。
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引用次数: 0
Preparation of MgO ceramics by low temperature sintering with MgF2 and Al2O3 as sintering additives 以MgF2和Al2O3为烧结添加剂,低温烧结制备MgO陶瓷
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-03-12 DOI: 10.1007/s10832-025-00391-3
Yicheng Xiao, Deqing Cheng, Guang Li, Ruiming Yin, Pengfei Li, Zhen Gao

MgO ceramics with high density and superior properties were prepared from MgO powder using MgF₂ and Al₂O₃ as sintering aids via gelcasting and pressureless sintering. XRD, SEM and EDS were used to analyze the samples. The addition of MgF₂ and Al₂O₃ (with a ratio of Al₂O₃:MgF ₂ = 2–8:4) has been shown to enhance the densification and properties of MgO ceramics. This beneficial liquid phase may be attributed to the synergistic effects of liquid-phase sintering and spinelization reactions, which wet grain boundaries, promote particle rearrangement and mass transport, fill intergranular pores, and accelerate densification. At 1550 °C with an Al₂O₃:MgF ₂ ratio of 6:4, the MgO ceramics achieved optimal values for bulk density (3.331 g/cm3), thermal conductivity (39.2W/(m·K)), and flexural strength (63.15 MPa).

以MgO粉为原料,以MgF₂和Al₂O₃为助烧剂,通过凝胶铸造和无压烧结制备了高密度、高性能的MgO陶瓷。采用XRD、SEM、EDS对样品进行了分析。MgF₂和Al₂O₃(Al₂O₃:MgF₂= 2-8:4)的加入已经被证明可以提高MgO陶瓷的致密性和性能。这种有利的液相可能是液相烧结和尖晶化反应的协同作用,湿化晶界,促进颗粒重排和质量传递,填充晶间孔隙,加速致密化。在1550℃、Al₂O₃:MgF₂比为6:4的条件下,MgO陶瓷的容重(3.331 g/cm3)、导热系数(39.2W/(m·K))和抗弯强度(63.15 MPa)达到了最佳值。
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引用次数: 0
Regulating spatial distribution of silicon and graphite for high-performance anode materials via plasma-assisted ball milling 用等离子体辅助球磨调节高性能负极材料中硅和石墨的空间分布
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-03-07 DOI: 10.1007/s10832-025-00388-y
Junjie Peng, Zixiang Yu, Yanmin Yang, Guiyang Xie, Shengyu Wu, Huinan Lin, Yingbin Lin

Silicon-graphite (Si/Gr) composite anode materials are essential for the advancement of high specific energy lithium-ion batteries (LIBs), yet their performances are often constrained by the interfacial interactions between Si and Gr. In this work, we used ball milling and plasma-assisted ball milling on Gr and nano-sized Si powders, followed by chitosan encapsulation and carbonization to synthesize SG@C and P-SG@C materials, respectively. Our findings indicated that plasma ball milling in an argon atmosphere promotes the exfoliation of Gr while facilitating the intercalation of Si particles within the Gr layers, thereby enhancing encapsulation by chitosan. Compared to SG@C, P-SG@C demonstrates superior initial specific capacity and Coulombic efficiency (CE), achieving a reversible specific capacity of 550.6 mAh/g with a capacity retention of 62.8% after 100 cycles at 0.5 A/g. Furthermore, we observed that the SG@C anodecharacterized by a random arrangement of Si and Gr resulting in degradation. In contrast, P-SG@C demonstrates a concurrent degradation pattern for both components. These observations underscore the advantages of plasma ball milling in optimizing the composite structure of Si and Gr, while highlighting how spatial distribution influences degradation mechanisms affecting anode performance.

硅-石墨(Si/Gr)复合负极材料对高比能锂离子电池(LIBs)的发展至关重要,但其性能往往受到Si和Gr之间界面相互作用的限制。在本研究中,我们对Gr和纳米级Si粉末进行球磨和等离子辅助球磨,然后进行壳聚糖包埋和碳化,分别合成SG@C和P-SG@C材料。研究结果表明,等离子球磨在氩气气氛下促进了Gr的剥离,同时促进了Si颗粒在Gr层内的嵌入,从而增强了壳聚糖的包封性。与SG@C相比,P-SG@C具有更高的初始比容量和库仑效率(CE),在0.5 a /g下循环100次后,其可逆比容量达到550.6 mAh/g,容量保持率为62.8%。此外,我们观察到SG@C阳极的特征是Si和Gr的随机排列导致降解。相反,P-SG@C展示了两个组件的并发退化模式。这些观察结果强调了等离子球磨在优化Si和Gr复合结构方面的优势,同时强调了空间分布如何影响影响阳极性能的降解机制。
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引用次数: 0
Synthesis and characterization of KTa0.55Nb0.45O3 modified Bi0.5Na0.5TiO3 lead-free Ferroelectric ceramic for energy storage applications KTa0.55Nb0.45O3改性Bi0.5Na0.5TiO3无铅储能铁电陶瓷的合成与表征
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-03-06 DOI: 10.1007/s10832-025-00385-1
Vishal Rohilla, Mukesh Kumar, Narayan Singh Panwar

This study explores the synthesis and characterization of lead-free (1-x)(Bi0.5Na0.5TiO3) – x(KTa0.55Nb0.45O3) (BNT-KTN55) ceramics for their potential for practical energy storage applications, at an electric field < 50 kV/cm. The research addresses the challenge of optimizing relaxor ferroelectric behavior to exhibit a thin P-E loop at this practically relevant electric field. In the study, X-ray diffraction (XRD) and Rietveld refinement confirmed a coexistence of rhombohedral (R3c) and tetragonal (P4bm) phases, with increasing tetragonal phase content as KTN55 doping increased. Scanning Electron Microscopy (SEM) revealed a significant reduction in grain size from 4.34 μm to 0.73 μm. Dielectric measurements showed typical relaxor ferroelectric behavior with frequency-dependent anomalies at Ts, Tm and a flat dielectric response in the range of 75° C to 310° C for higher doping levels. Ferroelectric measurements indicated a steady reduction in remnant polarization (Pr) and coercive field (Ec) with increasing KTN55 content. The composition with x = 0.06 demonstrated optimal performance, with a remnant polarization of 0.96 µC/cm², a maximum polarization of 14.42 µC/cm², and a discharge efficiency of 97.86% under a field of 43 kV/cm. The Recoverable energy density (Wrec) reached 0.295 J/cm³. All of the produced composite samples demonstrated stability without breakdown under the maximum applied electric field of 200 kV/cm, as limited by the instrument. Thus, their breakdown field exceeds this value, qualifying them as high breakdown field ceramics. These results suggest that BNT-KTN55 ceramics, particularly with x = 0.06, is a promising candidate for high-efficiency energy storage applications such as capacitors and pulse power devices.

本研究探索了无铅(1-x)(Bi0.5Na0.5TiO3) -x (KTa0.55Nb0.45O3) (BNT-KTN55)陶瓷在50 kV/cm电场下的实际储能应用潜力的合成和表征。该研究解决了优化弛豫铁电行为的挑战,以在实际相关的电场中表现出薄的P-E环。在研究中,x射线衍射(XRD)和Rietveld细化证实了菱形相(R3c)和四方相(P4bm)共存,四方相含量随着KTN55掺杂量的增加而增加。扫描电镜(SEM)显示,晶粒尺寸从4.34 μm减小到0.73 μm。介电测量显示出典型的弛豫铁电行为,在Ts, Tm处具有频率相关的异常,并且在高掺杂水平的75°C至310°C范围内具有平坦的介电响应。铁电测量表明,随着KTN55含量的增加,残余极化(Pr)和矫顽力场(Ec)稳定降低。当x = 0.06时,在43 kV/cm的电场下,剩余极化率为0.96µC/cm²,最大极化率为14.42µC/cm²,放电效率为97.86%。可回收能量密度(Wrec)达到0.295 J/cm³。在所制备的复合材料样品中,受仪器限制,在200 kV/cm的最大外加电场下均表现出不击穿的稳定性。因此,它们的击穿场超过这个值,使它们成为高击穿场陶瓷。这些结果表明,BNT-KTN55陶瓷,特别是x = 0.06,是高效储能应用(如电容器和脉冲功率器件)的有希望的候选者。
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引用次数: 0
Novel sol-gel fabrication of BaMgF4 thin films using single-source alkaline-earth β-diketonate fluorinated compounds 单源碱土β-二酮酸盐氟化化合物溶胶-凝胶法制备BaMgF4薄膜
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-03-05 DOI: 10.1007/s10832-025-00392-2
Francesca Lo Presti, Anna Lucia Pellegrino, Graziella Malandrino

In the last decades, BaMgF4 based materials represent key systems for several optical applications. The present study explores the optimization of sol-gel conditions for producing pure BaMgF4 thin films on Si (100) substrates by varying precursor ratios and annealing temperatures. Three approaches were examined using different molar ratios of [Ba(hfa)2•tetraglyme] to [Mg(hfa)2•2H2O]•2diglyme. The synthetic method combines sol-gel and spin-coating techniques, utilizing the fluorinated β-diketonate [Ba(hfa)2•tetraglyme] and [Mg(hfa)2•2H2O]•2diglyme as single-source precursors. X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDX), and scanning electron microscopy (SEM) analysis were employed to characterize film composition, crystalline phases, and morphology. The study underscores the critical role of precursor hydrolysis efficiency, with the [Ba(hfa)2•tetraglyme] precursor demonstrating superior performance in producing good-quality BaMgF4 films. These findings provide insights into precise control over precursor chemistry and processing conditions, essential for optimizing film quality and advancing potential applications in optoelectronic devices.

在过去的几十年里,BaMgF4基材料代表了几种光学应用的关键系统。本研究通过改变前驱体比例和退火温度,探索了在Si(100)衬底上制备纯BaMgF4薄膜的溶胶-凝胶条件的优化。用[Ba(hfa)2•2H2O]•2二莱肟与[Mg(hfa)2•2H2O]•二莱肟的不同摩尔比对三种方法进行了考察。该合成方法以氟化β-二酮酸[Ba(hfa)2•四烯酸]和[Mg(hfa)2•2H2O]•二烯酸为单源前驱体,结合溶胶-凝胶和旋涂技术。采用x射线衍射(XRD)、能量色散x射线分析(EDX)和扫描电镜(SEM)分析表征了薄膜的组成、晶相和形貌。该研究强调了前驱体水解效率的关键作用,[Ba(hfa)2•四烯酶]前驱体在生产高质量的BaMgF4薄膜方面表现出优异的性能。这些发现为前体化学和加工条件的精确控制提供了见解,对于优化薄膜质量和推进光电器件的潜在应用至关重要。
{"title":"Novel sol-gel fabrication of BaMgF4 thin films using single-source alkaline-earth β-diketonate fluorinated compounds","authors":"Francesca Lo Presti,&nbsp;Anna Lucia Pellegrino,&nbsp;Graziella Malandrino","doi":"10.1007/s10832-025-00392-2","DOIUrl":"10.1007/s10832-025-00392-2","url":null,"abstract":"<div><p>In the last decades, BaMgF<sub>4</sub> based materials represent key systems for several optical applications. The present study explores the optimization of sol-gel conditions for producing pure BaMgF<sub>4</sub> thin films on Si (100) substrates by varying precursor ratios and annealing temperatures. Three approaches were examined using different molar ratios of [Ba(hfa)<sub>2</sub>•tetraglyme] to [Mg(hfa)<sub>2</sub>•2H<sub>2</sub>O]•2diglyme. The synthetic method combines sol-gel and spin-coating techniques, utilizing the fluorinated β-diketonate [Ba(hfa)<sub>2</sub>•tetraglyme] and [Mg(hfa)<sub>2</sub>•2H<sub>2</sub>O]•2diglyme as single-source precursors. X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDX), and scanning electron microscopy (SEM) analysis were employed to characterize film composition, crystalline phases, and morphology. The study underscores the critical role of precursor hydrolysis efficiency, with the [Ba(hfa)<sub>2</sub>•tetraglyme] precursor demonstrating superior performance in producing good-quality BaMgF<sub>4</sub> films. These findings provide insights into precise control over precursor chemistry and processing conditions, essential for optimizing film quality and advancing potential applications in optoelectronic devices.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 2","pages":"233 - 242"},"PeriodicalIF":2.6,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10832-025-00392-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144914534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhancing the β-phase of PVDF by nano piezoceramic hybrid for advanced capacitive and energy storage application 利用纳米压电杂化材料增强PVDF的β相,用于先进的电容和储能应用
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-02-26 DOI: 10.1007/s10832-025-00390-4
Shraddha Joshi, Smita Acharya, Shahin Sayyad, Shraddha Shirbhate, Tanveer Quazi, Neha Dorle

Present work focussed on the preparation and characterization of ferroelectric ceramic-polymer composites, specifically using Poly Vinylidene Fluoride (PVDF) as the polymer host and PbZr0.48Ti0.52O3(PZT), Bi0.5Na0.5TiO3 (BNT) ceramics as the filler. The composites were prepared using the solution casting technique, and various properties were examined under different experimental conditions. The composites were characterized for various properties, including structural, microstructural, vibrational (FTIR-Fourier Transform Infrared), dielectric, and ferroelectric properties. XRD (X-ray Diffraction) analysis was used to observe the electroactive β-phase fraction in the composites. The microstructure of the composites was examined to understand the arrangement of the components. FTIR analysis provided insights into the mechanism of enhancing the β-phase and the interaction between negatively surface-charged ions of the PZT/BNT (BP) filler and the CH2 dipole of the PVDF polymer matrix. Dielectric constant variation with PZT/BNT (BP) filler concentrations was studied. The interplay between functional properties and the β-phase, likely related to ferroelectric behaviour, was discussed in detail. The electroactive β-phase fraction was observed to increase in the ternary composite PVDF/PZT/BNT (BPP). For PVDF/PZT (PP) composite concentration, β-phase fraction decreased because of percolation effect. The study explores the comprehensive characterization of ferroelectric ceramic-polymer composites, focusing on the interaction between the polymer matrix and piezoceramic (PZT/BNT) (BP) filler. The observed changes in properties, especially the electroactive β-phase fraction, provide valuable insights into the composition-structure-property relationships in these composites. The work sheds light on the potential applications and optimization of these composites for capacitive applications.

本文主要研究了以聚偏氟乙烯(PVDF)为基体,以PbZr0.48Ti0.52O3(PZT), Bi0.5Na0.5TiO3 (BNT)为填料的铁电陶瓷-聚合物复合材料的制备与表征。采用溶液铸造法制备了复合材料,并在不同的实验条件下对其各项性能进行了测试。表征了复合材料的各种性能,包括结构、微观结构、振动(ftir -傅里叶变换红外)、介电和铁电性能。采用XRD (x射线衍射)分析观察了复合材料中电活性β相分数。研究了复合材料的微观组织,以了解组分的排列。FTIR分析揭示了PZT/BNT (BP)填料增强β相的机理以及表面负电荷离子与PVDF聚合物基体CH2偶极子之间的相互作用。研究了PZT/BNT (BP)填料浓度对介电常数的影响。详细讨论了功能性质与β相之间的相互作用,可能与铁电行为有关。在三元复合PVDF/PZT/BNT (BPP)中,电活性β相分数增加。在PVDF/PZT (PP)复合浓度下,由于渗透作用,β相分数降低。研究了铁电陶瓷-聚合物复合材料的综合表征,重点研究了聚合物基体与压电陶瓷(PZT/BNT) (BP)填料之间的相互作用。观察到的性能变化,特别是电活性β相分数的变化,为这些复合材料的组成-结构-性能关系提供了有价值的见解。这项工作揭示了这些复合材料在电容应用中的潜在应用和优化。
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引用次数: 0
Rich oxygen vacancies promotes MoO2/N-doped carbon nanoribbons for high-performance sodium/potassium-ion batteries 丰富的氧空位促进了MoO2/ n掺杂碳纳米带用于高性能钠/钾离子电池
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-02-25 DOI: 10.1007/s10832-025-00389-x
Yanan Du, Zhiqiang Huang, Maoxin Yu, Zhilong Wu, Xiaohui Huang, Shaoming Ying, Haotian Yang, Zhiya Lin

The natural abundance and potential cost benefits of sodium-ion batteries (SIBs) and potassium-ion batteries (PIBs) make them increasingly appealing as viable substitutes to lithium-ion batteries (LIBs). Nonetheless, the progress of PIBs and SIBs is significantly hindered by the limited poor rate capability and mediocre cycling durability attributed to the huger ionic radius of K+ and Na+ in comparison to Li+. Herein, MoO2/N-doped carbon nanoribbons with rich oxygen vacancies (OVs) have been prepared via hydrothermal method followed by thermal annealing in Ar atmosphere. The composite nanoribbons, as novel anode materials, demonstrate excellent electrochemical performance with a specific capacity of 132.6 mAh g− 1 at 5 A g− 1 for SIBs and 130.2 mAh g− 1 at 1 A g− 1 for PIBs, along with a high Coulombic efficiency of approximately 100% over 2000 cycles for SIBs and 10,000 cycles for PIBs. The highly conductive N-doped carbon significantly facilitates electron transfer, effectively suppress volume expansion, and increase additional sodium and potassium storage sites. A built-in electric field at heterojunction interface is beneficial for Na/K ions diffusion across the interface. Novelty, the rich OVs in MoO2 lattices could induce built-in electric field around localized oxygen-vacancies, accelerating the migration of Na/K ions based on built-in electric field (BIEF) and percolation-channel model.

钠离子电池(SIBs)和钾离子电池(PIBs)的天然丰度和潜在的成本效益使它们作为锂离子电池(lib)的可行替代品越来越有吸引力。然而,与Li+相比,K+和Na+的离子半径更大,导致pib和sib的速率能力有限,循环耐久性一般,这严重阻碍了pib和sib的进展。本文采用水热法制备了具有富氧空位(OVs)的MoO2/ n掺杂碳纳米带,并在Ar气氛中进行了热退火。复合纳米带作为新型负极材料,具有优异的电化学性能,SIBs在5 a g−1时的比容量为132.6 mAh g−1,PIBs在1 a g−1时的比容量为130.2 mAh g−1,SIBs在2000次循环中具有约100%的库仑效率,PIBs在10,000次循环中具有约100%的库仑效率。高导电性n掺杂碳显著促进电子转移,有效抑制体积膨胀,并增加额外的钠和钾存储位点。异质结界面上的内置电场有利于Na/K离子在界面上的扩散。新颖的是,MoO2晶格中丰富的OVs可以在局部氧空位周围产生内建电场,加速Na/K离子的迁移,基于内建电场和渗透通道模型。
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引用次数: 0
Fe/Fe3C modified C@Si/SiOx anodes to achieve significantly enhanced lithium storage performance Fe/Fe3C改性C@Si/SiOx阳极,实现锂存储性能的显著增强
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-02-17 DOI: 10.1007/s10832-025-00386-0
Cheng Lin, Yuchan He, Wuyi Zhuang, Sili Chen, Zhixian You, Guiying Zhao, Zhigao Huang, Jiaxin Li

The development of high-performance silicon/silicon oxide (Si/SiOx) anodes has attracted great attention in the field of next-generation high-energy lithium-ion batteries (LIBs). However, preparing effective Si/SiOx composite materials to address issues such as poor cycling stability, subpar initial coulombic efficiency (ICE), and subpar interface compatibility remains a challenge. This work proposes a simple strategy for preparing Fe/Fe3C particle modified thin-layer carbon-coated Si/SiOx composite materials using a mixture of resorcinol formaldehyde (RF) precursor pyrolysis and ultrasonic treatment (referred to as C@Si/SiOx-Fe/Fe3C, abbreviated as CSSO-Fe/Fe3C). These composite materials are used as anodes for LIBs. Exploiting the benefits of its structure and composition, the CSSO-Fe/Fe3C anode offers a high ICE value of 68.7% and maintains a capacity of 563.2 mAh g−1 even after 1200 cycles at a current density of 2.5 A g−1. Comprehensive characterization and electrochemical studies have elucidated the interface compatibility and structural stability mechanisms induced by the small amount of Fe/Fe3C doping and carbon coating, which explain the high capacity and stable cycling performance. Furthermore, when paired with LiCoO2 cathode, the assembled LiCoO2||CSSO-Fe/Fe3C coin-type full battery has a capacity of 80.7 mAh g−1 and a capacity retention rate of 76.6% after 200 cycles at 1.0 C. This synthesis approach offers valuable insights for designing high-performance Si/SiOx electrode materials.

高性能硅/氧化硅(Si/SiOx)阳极的开发是下一代高能锂离子电池(LIBs)领域的研究热点。然而,制备有效的Si/SiOx复合材料以解决循环稳定性差、初始库仑效率(ICE)欠佳和界面相容性欠佳等问题仍然是一个挑战。本工作提出了一种简单的策略,利用间苯二酚甲醛(RF)前体热解和超声波处理的混合物制备Fe/Fe3C颗粒改性薄层碳包覆Si/SiOx复合材料(简称C@Si/SiOx-Fe/Fe3C,简称CSSO-Fe/Fe3C)。这些复合材料被用作lib的阳极。利用其结构和组成的优势,CSSO-Fe/Fe3C阳极提供了68.7%的高ICE值,并且在电流密度为2.5 a g−1的情况下,即使在1200次循环后仍保持563.2 mAh g−1的容量。综合表征和电化学研究阐明了少量Fe/Fe3C掺杂和碳包覆诱导的界面相容性和结构稳定性机制,从而解释了高容量和稳定的循环性能。此外,当与LiCoO2阴极配合时,组装的LiCoO2||CSSO-Fe/Fe3C硬币型全电池在1.0℃下循环200次后的容量为80.7 mAh g−1,容量保持率为76.6%。该合成方法为设计高性能Si/SiOx电极材料提供了有价值的见解。
{"title":"Fe/Fe3C modified C@Si/SiOx anodes to achieve significantly enhanced lithium storage performance","authors":"Cheng Lin,&nbsp;Yuchan He,&nbsp;Wuyi Zhuang,&nbsp;Sili Chen,&nbsp;Zhixian You,&nbsp;Guiying Zhao,&nbsp;Zhigao Huang,&nbsp;Jiaxin Li","doi":"10.1007/s10832-025-00386-0","DOIUrl":"10.1007/s10832-025-00386-0","url":null,"abstract":"<div><p>The development of high-performance silicon/silicon oxide (Si/SiO<sub>x</sub>) anodes has attracted great attention in the field of next-generation high-energy lithium-ion batteries (LIBs). However, preparing effective Si/SiO<sub>x</sub> composite materials to address issues such as poor cycling stability, subpar initial coulombic efficiency (ICE), and subpar interface compatibility remains a challenge. This work proposes a simple strategy for preparing Fe/Fe<sub>3</sub>C particle modified thin-layer carbon-coated Si/SiO<sub>x</sub> composite materials using a mixture of resorcinol formaldehyde (RF) precursor pyrolysis and ultrasonic treatment (referred to as C@Si/SiO<sub>x</sub>-Fe/Fe<sub>3</sub>C, abbreviated as CSSO-Fe/Fe<sub>3</sub>C). These composite materials are used as anodes for LIBs. Exploiting the benefits of its structure and composition, the CSSO-Fe/Fe<sub>3</sub>C anode offers a high ICE value of 68.7% and maintains a capacity of 563.2 mAh g<sup>−1</sup> even after 1200 cycles at a current density of 2.5 A g<sup>−1</sup>. Comprehensive characterization and electrochemical studies have elucidated the interface compatibility and structural stability mechanisms induced by the small amount of Fe/Fe<sub>3</sub>C doping and carbon coating, which explain the high capacity and stable cycling performance. Furthermore, when paired with LiCoO<sub>2</sub> cathode, the assembled LiCoO<sub>2</sub>||CSSO-Fe/Fe<sub>3</sub>C coin-type full battery has a capacity of 80.7 mAh g<sup>−1</sup> and a capacity retention rate of 76.6% after 200 cycles at 1.0 C. This synthesis approach offers valuable insights for designing high-performance Si/SiO<sub>x</sub> electrode materials.</p></div>","PeriodicalId":625,"journal":{"name":"Journal of Electroceramics","volume":"53 2","pages":"199 - 211"},"PeriodicalIF":2.6,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144914712","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 the structural, electronic, optical, thermoelectric, and thermodynamic properties of the halide double perovskite Cs2CeCl6 卤化物双钙钛矿Cs2CeCl6的结构、电子、光学、热电和热力学性质的DFT研究
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-01-17 DOI: 10.1007/s10832-025-00382-4
A. Jabar, S. Idrissi, L. Bahmad

This study presents a comprehensive investigation of the structural, electronic, optical, thermodynamic, and thermoelectric properties of the halide double perovskite Cs2CeCl6 using density functional theory (DFT) with the LSDA + mBJ approach in the Wien2k package. Our work is the first to explore the electronic properties of Cs2CeCl6, identifying it as a p-type semiconductor with a band gap of approximately 1.828 eV. Optical analysis reveals strong absorption in the UV-visible range, with a detailed evaluation of the absorption coefficient, electron energy loss, refractive index, extinction coefficient, and the real and imaginary parts of the dielectric tensor and optical conductivity. The observed increase in Debye temperature under pressure suggests enhanced thermal conductivity, crucial for understanding its behavior under varying conditions. Thermoelectric analysis shows that the figure of merit (ZT) improves with higher Seebeck coefficients and electrical conductivity but decreases with increasing thermal conductivity, illustrating the delicate balance needed to optimize thermoelectric performance.

本研究采用密度泛函理论(DFT)和LSDA + mBJ方法,在Wien2k封装中对卤化物双钙钛矿Cs2CeCl6的结构、电子、光学、热力学和热电性质进行了全面的研究。我们的工作是第一个探索cs2cec16的电子特性,确定它是一个带隙约为1.828 eV的p型半导体。光学分析表明,在紫外可见范围内具有很强的吸收,详细评价了吸收系数,电子能量损失,折射率,消光系数,介电张量的实部和虚部和光电导率。观察到的压力下德拜温度的增加表明热导率增强,这对于理解其在不同条件下的行为至关重要。热电分析表明,随着塞贝克系数和电导率的增加,性能值(ZT)提高,但随着导热系数的增加而降低,说明优化热电性能所需的微妙平衡。
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引用次数: 0
Efficient energy storage and fast charge-switching capability in Co-substituted Ca2Mn2O5 perovskites 共取代Ca2Mn2O5钙钛矿的高效储能和快速电荷开关性能
IF 2.6 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-01-14 DOI: 10.1007/s10832-025-00383-3
Sajeel Khan, Muhammad Atif Yaqub, Saima Alam, Muhammad Zeeshan, Abdul Quader, Shahid M. Ramay, Shahid Atiq

Recently, perovskite materials have drawn the attention of researchers due to their promising properties in energy conversion and energy storage applications. In this work, we reported Co-substituted Ca2Mn2O5 perovskite, revealing a fast-switching response and efficient energy storage capability. The samples were synthesized using the sol − gel auto-combustion technique. Structural analysis confirms the orthorhombic crystal structure of the material. Because of the smaller ionic radii of Co+ 3, the lattice parameters marginally decreased as Co-substitution increased. Field emission scanning electron microscopy revealed the non-homogenous distributed grains of roughly spherical shape. The P-E loop analysis showed the maximum polarization for the specimen with x = 0.16 with an electric field of 100 V/cm. Moreover, the maximum recoverable energy storage density and maximum efficiency were also observed for the specimen with x = 0.16. Electrical conductivity, I-V characteristics, and fast switching capability were also investigated in our work. I-V characteristic displayed the gradual increase in current with the increment of substitution contents. This study unwrapped the potential of this material for application in energy storage, data storage, and fast-switching electronic applications.

近年来,钙钛矿材料因其在能量转换和能量存储方面的应用前景而引起了研究人员的关注。在这项工作中,我们报道了共取代的Ca2Mn2O5钙钛矿,揭示了快速开关响应和高效储能能力。采用溶胶-凝胶自燃烧技术合成了样品。结构分析证实了材料的正交晶型结构。由于Co+ 3的离子半径较小,随着共取代的增加,晶格参数略有下降。场发射扫描电镜显示晶粒分布不均匀,形状大致为球形。P-E环分析表明,当x = 0.16时,电场为100 V/cm时,试样的最大极化。当x = 0.16时,试样的最大可恢复储能密度和最大可恢复储能效率。在我们的工作中还研究了电导率,I-V特性和快速开关能力。I-V特性随着取代含量的增加,电流逐渐增大。这项研究揭示了这种材料在能量存储、数据存储和快速开关电子应用方面的应用潜力。
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Journal of Electroceramics
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