Solid State Ionics最新文献

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Effect of bismuth substitution on structural, electrical and dielectric properties of barium zinc niobates 铋取代对铌酸钡锌结构、电学和介电性能的影响
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-06-09 DOI: 10.1016/j.ssi.2025.116921
Amanda Ndubuisi , Venkataraman Thangadurai
{"title":"Effect of bismuth substitution on structural, electrical and dielectric properties of barium zinc niobates","authors":"Amanda Ndubuisi ,&nbsp;Venkataraman Thangadurai","doi":"10.1016/j.ssi.2025.116921","DOIUrl":"10.1016/j.ssi.2025.116921","url":null,"abstract":"<div><div>Herein, we report the effects of bismuth substitution on the structural, electrical, and dielectric properties of BaZn<sub>0.33</sub>Nb<sub>0.67-<em>x</em></sub>Bi<sub><em>x</em></sub>O<sub>3-δ</sub> (BZNBi, <em>x</em> = 0, 0.017, 0.03, 0.05). BZNBi perovskite oxides crystallized in a cubic <em>Pm</em>3̅<em>m</em> symmetry, however, a minor secondary phase was found in <em>x</em> = 0.03, and 0.05 samples. An expansion of the unit cell was observed with increasing bismuth concentration, indicating a linear correlation between the lattice constant and composition. The surface microstructure of the BZNBi pellets revealed that bismuth substitution enhanced densification, except in samples with significant impurity content. The introduction of bismuth increased the electrical conductivity from <span><math><mn>2.3</mn><mo>×</mo><msup><mn>10</mn><mrow><mo>−</mo><mn>8</mn></mrow></msup><mspace></mspace><mi>S</mi><mspace></mspace><msup><mi>cm</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span> in BZN to <span><math><mn>3.1</mn><mo>×</mo><msup><mn>10</mn><mrow><mo>−</mo><mn>2</mn></mrow></msup><mspace></mspace><mi>S</mi><mspace></mspace><msup><mi>cm</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span> in BZNBi 0.05 at 600 °C in air. At 1 MHz and 600 °C, the dielectric constant also increased from 28 in BZN to 47 in BZNBi 0.017, indicating the potential of bismuth doping in improving the electrical and dielectric properties of BZN.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"428 ","pages":"Article 116921"},"PeriodicalIF":3.0,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240069","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
Fast lithium-ion diffusion in pyrochlore-type oxyfluoride Li1.25La0.58Nb2O6F 锂离子在焦氯型氟化氧Li1.25La0.58Nb2O6F中的快速扩散
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-06-07 DOI: 10.1016/j.ssi.2025.116924
Naoaki Kuwata , Gen Hasegawa , Sihao Xing , Kenjiro Hashi , Yoshitaka Matsushita , Randy Jalem , Kazunori Takada , Hitoshi Onodera , Shuhei Yoshida
{"title":"Fast lithium-ion diffusion in pyrochlore-type oxyfluoride Li1.25La0.58Nb2O6F","authors":"Naoaki Kuwata ,&nbsp;Gen Hasegawa ,&nbsp;Sihao Xing ,&nbsp;Kenjiro Hashi ,&nbsp;Yoshitaka Matsushita ,&nbsp;Randy Jalem ,&nbsp;Kazunori Takada ,&nbsp;Hitoshi Onodera ,&nbsp;Shuhei Yoshida","doi":"10.1016/j.ssi.2025.116924","DOIUrl":"10.1016/j.ssi.2025.116924","url":null,"abstract":"<div><div>Fast lithium-ion conductors with oxide frameworks are key materials for high performance solid-state rechargeable batteries. This study reveals fast Li<sup>+</sup> ion diffusion in the recently discovered pyrochlore-type lithium lanthanum niobium oxyfluoride, Li<sub>2–<em>x</em></sub>La<sub>(1+<em>x</em>)/3</sub>□<sub>(2<em>x</em>–1)/3</sub>Nb<sub>2</sub>O<sub>6</sub>F (□ = vacancy), using pulsed-field gradient nuclear magnetic resonance (NMR) and impedance measurements. These analyses confirm that fast Li<sup>+</sup> ion diffusion is the origin of the high ionic conductivity. Moreover, <sup>7</sup>Li and <sup>19</sup>F NMR data suggest that local disorder at the Li<sup>+</sup> ion sites facilitate fast diffusion. Chemical shifts of the <sup>19</sup>F NMR can be explained by the number of La, Li and vacancies around fluorine. The Arrhenius plot exhibits a slight bending at approximately 200 K. The thermal expansion coefficient also changes from negative to positive at 200 K. These results suggest that Li<sup>+</sup> ions in pyrochlore-type oxyfluorides undergo an order–disorder phase transition. The insights provided by this study into the mechanism of fast Li<sup>+</sup> ion diffusion in pyrochlore-type oxyfluorides pave the way for fabricating solid electrolytes with improved performance over conventional solid electrolytes.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"428 ","pages":"Article 116924"},"PeriodicalIF":3.0,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144239940","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
Tuning lithium diffusion by anionic substitution in a trigonal halide superionic conductor 用阴离子取代调节锂在三角卤化物超离子导体中的扩散
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-06-06 DOI: 10.1016/j.ssi.2025.116920
Joohyeon Noh , Mireu Kim , Seungju Yu , Wonju Kim , Jaekyun Yoo , Sunyoung Lee , Sangwook Han , Daero Won , Chanwoong Park , Geunji Choi , Kisuk Kang
{"title":"Tuning lithium diffusion by anionic substitution in a trigonal halide superionic conductor","authors":"Joohyeon Noh ,&nbsp;Mireu Kim ,&nbsp;Seungju Yu ,&nbsp;Wonju Kim ,&nbsp;Jaekyun Yoo ,&nbsp;Sunyoung Lee ,&nbsp;Sangwook Han ,&nbsp;Daero Won ,&nbsp;Chanwoong Park ,&nbsp;Geunji Choi ,&nbsp;Kisuk Kang","doi":"10.1016/j.ssi.2025.116920","DOIUrl":"10.1016/j.ssi.2025.116920","url":null,"abstract":"<div><div>Halide solid electrolytes have emerged as a key enabler for solid-state batteries, offering exceptional electrochemical and mechanical compatibility with cathodes. Among them, Li<sub>2</sub>ZrCl<sub>6</sub> stands out as a cost-effective alternative, unlike most reported halide electrolytes that rely on scarce and expensive elements such as Y, Er, Ho, Sc and Yb. However, its relatively low ionic conductivity (∼10<sup>−4</sup> S cm<sup>−1</sup>) remains a critical limitation for practical applications. In this study, we employ a theoretical approach to unravel the lithium diffusion mechanisms in trigonal Li<sub>2</sub>ZrCl<sub>6</sub> and systematically evaluate the effect of partial anion substitution on ionic transport. Our findings reveal that even minimal amount of anion (<em>e.g.</em>, sulfur) substitution can drastically enhance lithium percolation pathways, significantly accelerating lithium diffusion kinetics. This enhancement stems from a unique in-plane diffusion mechanism, where electrostatically restricted vacant sites at pathway intersections – previously inaccessible – become activated through anion substitution. In particular, sulfur mitigates cationic repulsion and enlarges intermediate sites at these intersections, unlocking multiple new diffusion pathways. Guided by this insight, we experimentally demonstrate that even a minimal level of sulfur substitution (∼3 %) increases ionic conductivity by a factor of three compared with pristine Li<sub>2</sub>ZrCl<sub>6</sub>. Further tuning achieves a remarkable conductivity of ∼1.33 <span><math><mo>×</mo></math></span> 10<sup>−3</sup> S cm<sup>−1</sup> at 25 °C, the highest reported for Li<sub>2</sub>ZrCl<sub>6</sub> electrolytes <span><math><mo>≥</mo></math></span> 90 % Zr content. These findings highlight the structural adaptability of trigonal Li<sub>2</sub>ZrCl<sub>6</sub> for anion substitution, presenting a new and effective strategy to achieve high ionic conductivity in cost-effective halide solid electrolytes.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"428 ","pages":"Article 116920"},"PeriodicalIF":3.0,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144220984","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
Effect of phosphorus and fluorine on sinterability, c-axis orientation, and ionic conductivity of lanthanum silicate oxyapatite 磷和氟对硅酸氧磷灰石镧烧结性能、c轴取向和离子电导率的影响
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-06-05 DOI: 10.1016/j.ssi.2025.116919
Shigekazu Hidaka , Takahisa Yamamoto
{"title":"Effect of phosphorus and fluorine on sinterability, c-axis orientation, and ionic conductivity of lanthanum silicate oxyapatite","authors":"Shigekazu Hidaka ,&nbsp;Takahisa Yamamoto","doi":"10.1016/j.ssi.2025.116919","DOIUrl":"10.1016/j.ssi.2025.116919","url":null,"abstract":"<div><div>Lowering the operating temperature of solid oxide cells (SOCs) is a key challenge for their widespread use. Lanthanum silicate oxyapatite (LSO) is a promising electrolyte material owing to its high ionic conductivity along the <em>c</em>-axis direction. The application of LSO is hindered by its low sinterability and the requirement for controlling <em>c</em>-axis orientation. In this study, we investigated the effects of phosphorus and fluorine as sintering dopants on the sinterability, microstructure, and ionic conductivity of LSO. Dense LSO pellets with a relative density of over 95 % were successfully fabricated at sintering temperatures of 1550 °C for fluorine-added LSO and 1700 °C for phosphorus-added LSO. Phosphorus-added LSO exhibited characteristic columnar grain growth along the <em>c</em>-axis direction, resulting in higher ionic conductivities under approximately 700 °C compared with that of yttria-stabilized zirconia. These results provide valuable guidance for lowering the operating temperatures of SOCs.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"428 ","pages":"Article 116919"},"PeriodicalIF":3.0,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213504","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
Optical evaluation of Ni, Fe and Co impurity content in Y-doped barium zirconate 掺y锆酸钡中Ni、Fe和Co杂质含量的光学评价
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-05-30 DOI: 10.1016/j.ssi.2025.116878
Kunihiko Shizume, Naoyuki Hatada, Tetsuya Uda
{"title":"Optical evaluation of Ni, Fe and Co impurity content in Y-doped barium zirconate","authors":"Kunihiko Shizume,&nbsp;Naoyuki Hatada,&nbsp;Tetsuya Uda","doi":"10.1016/j.ssi.2025.116878","DOIUrl":"10.1016/j.ssi.2025.116878","url":null,"abstract":"<div><div>Y-doped BaZrO<sub>3</sub> (BZY) is a promising candidate for the electrolyte material of proton conducting fuel cell (PCFC). The impurity concentrations of Ni, Co, and Fe are often of interest in studies of cell processing because the electrochemical performances and the sinterability remarkably depend on the concentrations. This work proposes a simple technique to quantify the dissolved Fe, Co, and Ni in BZY sintered bodies by evaluating the color in the <em>L</em><sup><em>⁎</em></sup><em>a</em><sup><em>⁎</em></sup><em>b</em><sup><em>⁎</em></sup> color space. Colorimetric measurements revealed a roughly linear relationship between <em>L</em><sup><em>⁎</em></sup> and the logarithm of Fe, Co, and Ni concentrations in the dilute range from 0.001 to 0.1 at.%, providing an empirical calibration curve. <em>L</em><sup><em>⁎</em></sup> values also depend on the raw BZY powders used as the starting material and the sintering procedure, resulting in variations in relative density, Ba deficiency and excess of the sintered body. Therefore, when applied to a series of sintered bodies with consistent starting material and same processes, this calibration curve is reliable.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"427 ","pages":"Article 116878"},"PeriodicalIF":3.0,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178421","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
The road to high-entropy: Combinatorial sequential doping study of Ba2In2O5 高熵之路:Ba2In2O5的组合序贯掺杂研究
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-05-29 DOI: 10.1016/j.ssi.2025.116901
Niels Schreiner , Angela Angelodimou , Mohammad Soleimani , Auguste Stanionytė , Richard Matysek , Giuditta Perversi
{"title":"The road to high-entropy: Combinatorial sequential doping study of Ba2In2O5","authors":"Niels Schreiner ,&nbsp;Angela Angelodimou ,&nbsp;Mohammad Soleimani ,&nbsp;Auguste Stanionytė ,&nbsp;Richard Matysek ,&nbsp;Giuditta Perversi","doi":"10.1016/j.ssi.2025.116901","DOIUrl":"10.1016/j.ssi.2025.116901","url":null,"abstract":"<div><div>Ba<sub>2</sub>In<sub>2</sub>O<sub>5</sub> is a rare-earth free material extensively explored for its remarkable oxygen-ion conductivity properties, highly sought after in the field of solid-state ionic and related devices. These properties can be activated at lower temperatures, and augmented with mixed ionic-electronic conductivity, by stabilization of its cubic perovskite phase through a variety of doping on the indium site. Following this reported flexibility, this study attempts a systematic doping of Ba<sub>2</sub>In<sub>2</sub>O<sub>5</sub> with a variety of metals (Co, Cr, Fe, Mn, Ni, Sn, Ti, V, Zr), with incremental steps approached in a combinatorial fashion; starting from one dopant, we provide various combinations of 2, 3, and 4 dopant options, with the latter representing the first high-entropy perovskite doping attempt on this system. Out of the 48 attempted composition, 8 yielded novel stable <em>Pm-3m</em> perovskites, of which one high-entropy perovskite and two medium-entropy perovskites; additionally, three more composition in medium entropy range and one more composition in high entropy range approached stability with minimal splitting. Through thermogravimetric analysis, all cubic compounds showcased reversible evolution of oxygen upon heating. The phase stabilization of a single phase multi-doped system appears to be the result of a complex relationship between element sizes, charges and orbital configurations. While increases in entropy of the indium sublattice were always accompanied by reduced oxygen mobility onset temperatures, we critically assessed the pairwise interaction between different metals and their impact on mobile oxygen quantities in different temperature ranges (500 to 900 °C). Is high-entropy always achievable in a system with appropriate flexibility? If so, it is actually beneficial in its impact on the materials properties? The results of this study highlight interesting avenues for compositionally complex oxides.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"427 ","pages":"Article 116901"},"PeriodicalIF":3.0,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168641","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
Unveiling the relationship between packing fraction, elastic properties, and ionic conductivity in highly modified alkali-borate glasses 揭示高改性碱硼酸盐玻璃中填料分数、弹性性能和离子电导率之间的关系
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-05-29 DOI: 10.1016/j.ssi.2025.116899
Ningyuan Fang , Nagia S. Tagiara , Marcio L.F. Nascimento , Caio B. Bragatto
{"title":"Unveiling the relationship between packing fraction, elastic properties, and ionic conductivity in highly modified alkali-borate glasses","authors":"Ningyuan Fang ,&nbsp;Nagia S. Tagiara ,&nbsp;Marcio L.F. Nascimento ,&nbsp;Caio B. Bragatto","doi":"10.1016/j.ssi.2025.116899","DOIUrl":"10.1016/j.ssi.2025.116899","url":null,"abstract":"<div><div>The ionic conductivity of glasses can be understood through the Anderson and Stuart model, in which the process's activation energy is divided into two parts — the binding and the strain energies. In turn, the strain energy mostly depends on the glass's elastic properties, which can be related to the packing fraction according to the Makishima and Mackenzie model. In this work, the possible dependency between packing fractions, strain and ionic conductivity activation energies were studied for lithium and sodium borate glasses containing high alkali-oxide concentrations. A linear dependency was found for compositions up to ≈ 33 mol% alkali oxide, a composition known from the boron anomaly model. This result reinforces the strong electrolyte behavior of the glass up to ≈ 33 mol% concentration for both systems with an activation enthalpy of 0.6 eV while indicating a significant change in the charge carrier's behavior. Strain energy prediction fails for large amounts of alkali oxides, indicating other factors besides the elastic property are involved in the ionic conductivity of the highly modified glasses.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"427 ","pages":"Article 116899"},"PeriodicalIF":3.0,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168589","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
Nanocube-structured ZnSn(OH)₆ for enhanced bifunctional electrocatalysis in oxygen evolution and urea oxidation reactions 纳米立方结构ZnSn(OH)₆在析氧和尿素氧化反应中增强双功能电催化作用
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-05-28 DOI: 10.1016/j.ssi.2025.116915
Yu Zhao , Santhosh Kumar Thatikonda , Mohamed A. Ghanem , Gutturu Rajasekhara Reddy , Sang Woo Joo
{"title":"Nanocube-structured ZnSn(OH)₆ for enhanced bifunctional electrocatalysis in oxygen evolution and urea oxidation reactions","authors":"Yu Zhao ,&nbsp;Santhosh Kumar Thatikonda ,&nbsp;Mohamed A. Ghanem ,&nbsp;Gutturu Rajasekhara Reddy ,&nbsp;Sang Woo Joo","doi":"10.1016/j.ssi.2025.116915","DOIUrl":"10.1016/j.ssi.2025.116915","url":null,"abstract":"<div><div>Abstract</div><div>This research investigates the development of bifunctional electrocatalysts for renewable energy applications, specifically water splitting and urea oxidation. Nanostructured zinc hydroxystannate (ZnSn(OH)₆; ZHS) was synthesized and characterized as a potential catalyst for these reactions. Electrochemical measurements demonstrated that ZHS exhibits promising catalytic activity for both oxygen evolution and urea oxidation. A current density of 10 mA cm<sup>−2</sup> was achieved by the active material at an overpotential of 216 mV for urea oxidation, and 392 mV for oxygen evolution with corresponding Tafel slopes of 110.8 and 37.2 mV dec<sup>−1</sup>, respectively. These results suggest that ZHS could be a promising candidate for future energy storage and conversion technologies. The electrocatalysts highly crystalline structure and extensive electrochemical active surface area enhance charge transfer kinetics and accelerate reaction rates, underscoring its exceptional electrocatalytic performance. This study presents a straightforward approach to developing bifunctional electrocatalysts with enhanced OER and UOR capabilities</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"427 ","pages":"Article 116915"},"PeriodicalIF":3.0,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168588","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
Pathways for Li+ migration in Li1+xV3O8: Geometrical-topological analysis Li+在Li1+xV3O8中的迁移途径:几何拓扑分析
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-05-27 DOI: 10.1016/j.ssi.2025.116904
E.A. Sherstobitova , Ye.A. Morkhova , N.V. Proskurnina , M.S. Shchelkanova , G.Sh. Shekhtman , M.A. Semkin , P.E. Romashko , A.N. Pirogov , V.I. Voronin , N.A. Kabanova , A.F. Gubkin
{"title":"Pathways for Li+ migration in Li1+xV3O8: Geometrical-topological analysis","authors":"E.A. Sherstobitova ,&nbsp;Ye.A. Morkhova ,&nbsp;N.V. Proskurnina ,&nbsp;M.S. Shchelkanova ,&nbsp;G.Sh. Shekhtman ,&nbsp;M.A. Semkin ,&nbsp;P.E. Romashko ,&nbsp;A.N. Pirogov ,&nbsp;V.I. Voronin ,&nbsp;N.A. Kabanova ,&nbsp;A.F. Gubkin","doi":"10.1016/j.ssi.2025.116904","DOIUrl":"10.1016/j.ssi.2025.116904","url":null,"abstract":"<div><div>In the present work, the crystal structure of the Li<sub>1+x</sub>V<sub>3</sub>O<sub>8</sub> (<em>x</em> = 0.1, 0.2, and 0.3) compounds was studied using both X-ray and neutron powder diffraction. This study provided a clear understanding of the lithium positions. We found that increase of the lithium content from 0.1 up to 0.3 in Li<sub>1+x</sub>V<sub>3</sub>O<sub>8</sub> gives rise to a statistical distribution of excessive lithium over a number of vacant interstitials between the [V<sub>3</sub>O<sub>8</sub>]<sup>−</sup> layers. One dimensional migration map composed from the chain elementary channels along the [010] direction have been revealed by geometrical-topological analysis. These channels consist of vacant octahedral and tetrahedral positions which can accommodate Li<sup>+</sup> ions diffusion via direct hopping mechanism. Bond valence site energy calculations confirmed one-dimensional diffusion with lithium migration barriers of 0.55 eV.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"427 ","pages":"Article 116904"},"PeriodicalIF":3.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138955","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
The design of LiTFSI-based poly(vinylidene fluoride)-poly(vinyl acetate) composite polymer electrolyte and its integrated membrane with electrodes 设计了基于litfsi的聚偏氟乙烯-聚醋酸乙烯复合聚合物电解质及其电极集成膜
IF 3 4区 材料科学
Solid State Ionics Pub Date : 2025-05-27 DOI: 10.1016/j.ssi.2025.116918
Haozhong Huang , Kaibo Fan , Kai Cao , Zhongheng Zhu , Qichen Zhang , Biao Wang , Ling Sun , Yong Zhao , Li Wang , Zhengguang Hu
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