Solid State Ionics最新文献_第6页

Enhancing fluoride-ion conduction via doping-induced anionic ordering in an n = 1 Ba-based Ruddlesden-Popper oxyfluoride structure 在n = 1 ba基Ruddlesden-Popper氟化氧结构中掺杂诱导阴离子有序增强氟离子传导

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-12 DOI: 10.1016/j.ssi.2025.116866

Chanachai Pattanathummasid , Ryoji Asahi , Alex Kutana , Kazuhiro Mori , Toshiyuki Matsunaga , Tsuyoshi Takami

{"title":"Enhancing fluoride-ion conduction via doping-induced anionic ordering in an n = 1 Ba-based Ruddlesden-Popper oxyfluoride structure","authors":"Chanachai Pattanathummasid , Ryoji Asahi , Alex Kutana , Kazuhiro Mori , Toshiyuki Matsunaga , Tsuyoshi Takami","doi":"10.1016/j.ssi.2025.116866","DOIUrl":"10.1016/j.ssi.2025.116866","url":null,"abstract":"<div><div>Tuning the atomic arrangement in mixed-anion compounds is one of the key research areas in solid-state chemistry, as it enables the understanding of the structure-property relationship. In this study, we proposed a strategy for fluorine ordering in an oxyfluoride compound with an n = 1 Ruddlesden-Popper (RP) structure, An+1BnO3n+1-xF2x, by aliovalent doping at the A-site. The framework structure based on Ba2(Sn/Zr)O4-xF2x was selected, because oxygen and fluorine occupy all three anion positions—equatorial, apical, and interstitial. To analyze the materials, we used a combination of high-resolution neutron diffraction, synchrotron X-ray diffraction, electrochemical testing, and computational analyses. Our findings show that doping potassium leads to fluorine ordering at the interstitial sites. This ordering occurs to balance the electronic charge at the anion positions, following the electrostatic valence rule. As a result, the electrochemical properties of the compound change: the electrical conductivity increases and the activation energy decreases. These results offer new insights and suggest a strategy for controlling the atomic arrangement in mixed-anion compounds, opening possibilities for designing materials with tailored properties.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116866"},"PeriodicalIF":3.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820534","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 influence of Ce element doping on the mechanical properties of ZrO2 ceramic from first-principles calculations 从第一性原理计算研究Ce元素掺杂对ZrO2陶瓷力学性能的影响

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-12 DOI: 10.1016/j.ssi.2025.116865

Jiao Wang , Xun Yang , Xiao-fan Song , Chun Li , He-fa Zhu

{"title":"The influence of Ce element doping on the mechanical properties of ZrO2 ceramic from first-principles calculations","authors":"Jiao Wang , Xun Yang , Xiao-fan Song , Chun Li , He-fa Zhu","doi":"10.1016/j.ssi.2025.116865","DOIUrl":"10.1016/j.ssi.2025.116865","url":null,"abstract":"<div><div>Due to its excellent mechanical, thermal, chemical and dielectric properties, zirconia (ZrO2) is widely used in gas sensors, solid oxide fuel cells, high-durability coatings, catalysts, as well as in mechanical engineering, aerospace and dental fields. Compared with other ceramics, zirconia has excellent wear resistance, and after polishing, zirconia maintains a low surface roughness for a long time. At present, most of the researches on the mechanical properties of ZrO2 doping are concentrated in the experimental stage, and the first-principle calculations are mainly focused on the optical properties, thermoelectric properties and thermodynamic properties of ZrO2. Therefore, based on density functional theory, this paper constructs a ZrO2 model through Materials Studio software, conducts convergence tests on the model, studies the electronic structure and bonding of ZrO2, calculates the mechanical properties of ZrO2 after doping different concentrations of CeO2, and analyzes the effects of doping concentrations on mechanical properties and elastic wave velocity from the atomic scale.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116865"},"PeriodicalIF":3.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820535","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

Study on Li+ adsorption performance using PVC-H1.6Mn1.6O4 film in lithium-rich aluminum electrolyte PVC-H1.6Mn1.6O4膜在富锂铝电解液中吸附Li+性能的研究

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-11 DOI: 10.1016/j.ssi.2025.116853

Zixuan Yuan , Qing-Tao Hu , Weijie Wang , Guangxin Wu , Changchun Liu , Hao Chen , He-Zhang Chen , Ying-de Huang , Wenjie Yang

{"title":"Study on Li+ adsorption performance using PVC-H1.6Mn1.6O4 film in lithium-rich aluminum electrolyte","authors":"Zixuan Yuan , Qing-Tao Hu , Weijie Wang , Guangxin Wu , Changchun Liu , Hao Chen , He-Zhang Chen , Ying-de Huang , Wenjie Yang","doi":"10.1016/j.ssi.2025.116853","DOIUrl":"10.1016/j.ssi.2025.116853","url":null,"abstract":"<div><div>With the explosion of the lithium-ion battery market, the requirement for lithium resources is growing promptly, even though traditional lithium extraction methods are inefficient and research focuses on lithium extraction from brines, efficiently extracting lithium from lithium-rich aluminum electrolytes (LRAE) is crucial. This study explores a novel approach to recover lithium from lithium-containing aluminum electrolytes through hydrochloric acid dissolution and ion-exchange adsorption, aiming to achieve high-value use of hazardous waste. The research examines the influence of various parameters-covering the effects of factors such as hydrochloric acid concentration, reaction time, reaction temperature, and liquid-solid ratio. Including the important role of these factors in the reaction process and outcome, as well as their impact on the entire process. The dissolution rate via hydrochloric acid dissolution. A dissolution efficiency of approximately 76.48 % for lithium was achieved within 90 min using a 2 mol/L hydrochloric acid solution at a temperature of 75 °C, while maintaining a liquid-to-solid ratio of 45:1. Additionally, polymer-loaded PVC-H1.6Mn1.6O4 films were synthesized through a hydrothermal reaction utilizing the dissolution solution as the precursor. The optimal adsorption performance of the PVC-H1.6Mn1.6O4 film was observed at mass concentration of 12 % for both PVC and the precursor. The adsorption equilibrium was attained after 480 min, resulting in a lithium ion adsorption capacity of 381.82 mg/m2. After five cycles of adsorption experiments, the lithium adsorption ability of the PVC-H1.6Mn1.6O4 film in lithium-rich aluminum electrolyte solutions was determined to be 96.80 %, indicating a decrease of 3.20 % compared to the initial lithium adsorption.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116853"},"PeriodicalIF":3.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820533","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

New proton exchange membranes based on ionic liquid doped chitosan 基于离子液体掺杂壳聚糖的新型质子交换膜

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-09 DOI: 10.1016/j.ssi.2025.116852

Naima Naffati , Fátima C. Teixeira , António P.S. Teixeira , C.M. Rangel

{"title":"New proton exchange membranes based on ionic liquid doped chitosan","authors":"Naima Naffati , Fátima C. Teixeira , António P.S. Teixeira , C.M. Rangel","doi":"10.1016/j.ssi.2025.116852","DOIUrl":"10.1016/j.ssi.2025.116852","url":null,"abstract":"<div><div>The development of new proton exchange membranes (PEM) for electrochemical devices have attracted researcher's attention in the pursuit for more sustainable and cost-effective technologies for clean energy production and conversion. In this work, new doped chitosan (CS) membranes were prepared by the casting method. Chitosan is an abundant, biodegradable and non-toxic material, and as a membrane, a sustainable and cheaper alternative to those perfluorinated and commonly used, such as Nafion. Three different ionic liquids were employed as dopants, ([EMIM][OTf], [EMIM][FSI] and [MIMH][HSO4]), in various concentrations and up to 50 wt% load. The new membranes were characterized by ATR-FTIR, thermogravimetry, using TGA and DSC techniques to assess their thermal properties, and by SEM, to analyse their surface morphology. Proton conduction properties of the new membranes were assessed by Electrochemical Impedance Spectroscopy (EIS). The new doped membranes showed an increase in the proton conduction compared with pristine chitosan membranes. The incorporation of ionic liquids into chitosan membranes improved their proton conductivity and thermal properties, with [EMIM][OTf] and [MIMH][HSO4] showing the most promising results. A 2-fold increment in the proton conduction was generally observed with the increase of the temperature from 30 to 60 °C. The best proton conductivity was found at 60 °C for the membrane doped with [EMIM][OTf], with a value of 47 mS.cm−1.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116852"},"PeriodicalIF":3.0,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143799013","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

Conduction of lithium ions in polymer-based electrolytes 聚合物基电解质中锂离子的传导

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-07 DOI: 10.1016/j.ssi.2025.116858

Zixuan Wang, Jialong Fu, Xin Guo

引用次数: 0

Electronic and Li-ion diffusion properties in Fe0.875M0.125S2 (M = Ti, V)(001)|Li2S(110) interface by the first-principles study 用第一性原理研究Fe0.875M0.125S2 (M = Ti， V)(001)|Li2S（110）界面中电子和锂离子的扩散特性

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-07 DOI: 10.1016/j.ssi.2025.116857

Baogang Liu , Chengdong Wei , Fenning Zhao , Jian Xu , Jihong Li , Hongtao Xue , Fuling Tang

{"title":"Electronic and Li-ion diffusion properties in Fe0.875M0.125S2 (M = Ti, V)(001)|Li2S(110) interface by the first-principles study","authors":"Baogang Liu , Chengdong Wei , Fenning Zhao , Jian Xu , Jihong Li , Hongtao Xue , Fuling Tang","doi":"10.1016/j.ssi.2025.116857","DOIUrl":"10.1016/j.ssi.2025.116857","url":null,"abstract":"<div><div>The structure and nature of the interface between the electrode and the discharge product have an important impact on the performance of Lithium‑sulfur (Li<img>S) batteries. We investigated the effects of transition metals Ti and V doped into FeS2 on the high-rate performance of the interface formed with Li2S(110). Using the first-principles calculations, we have investigated the interface between FeS2(001) with doping transition metal Ti and V, and Li2S(110). The investigation covered aspects such as lattice structure, electrochemical properties, diffusion of Li+ at the interface, distribution of charge, and work function. The results indicate that doping with transition metals Ti and V reduces the Li+ diffusion barrier. The interfacial density of states introduces metallic properties. Additionally, analysis of work function revealed that Ti doping promotes the establishment of an internal electric field in the interfacial structure which accelerates cycling and migration of Li+. This study enhances our understanding of interfacial structure and electrochemical properties between cathode host material and Li2S.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116857"},"PeriodicalIF":3.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785484","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

Trade-off between lithium diffusivity and transference in solid ternary polymer ionic liquid electrolytes 锂在固体三元聚合物离子液体电解质中的扩散和转移之间的权衡

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-06 DOI: 10.1016/j.ssi.2025.116854

Mark Weijers , Pranav Karanth , Gerrit Homann , Boaz Izelaar , Aleksandra Kondakova , Swapna Ganapathy , Ruud Kortlever , Corsin Battaglia , Fokko M. Mulder

{"title":"Trade-off between lithium diffusivity and transference in solid ternary polymer ionic liquid electrolytes","authors":"Mark Weijers , Pranav Karanth , Gerrit Homann , Boaz Izelaar , Aleksandra Kondakova , Swapna Ganapathy , Ruud Kortlever , Corsin Battaglia , Fokko M. Mulder","doi":"10.1016/j.ssi.2025.116854","DOIUrl":"10.1016/j.ssi.2025.116854","url":null,"abstract":"<div><div>For battery architectures that need a solid ion conductor with good contacting performance and high stability against electrochemical oxidation, polymerized ionic liquids (PIL) pose a valuable class of materials. The low conductivity of the binary PIL/ lithium salt system can be increased using a ternary ionic liquid acting as plasticiser. The conductive mechanism of the ternary system is however not fully understood. This work shows the shift in conduction mechanism for the ternary Li−/[1,3]PYR-/PDADMA-FSI system by increasing the lithium salt concentration and comparing the transfer mechanism to binary ionic liquid (IL) electrolyte analogues using pulsed field gradient (PFG) nuclear magnetic resonance (NMR), NMR relaxometry, Raman spectroscopy and electrochemical techniques. Two conducting regimes were found which show a strong trade-off between conductivity and transference number. In the low lithium salt regime (≤35 wt% LiFSI), cluster diffusion of aggregated lithium is the dominating mechanism leading to low transference numbers (0.04–0.15 at room temperature (RT)). The high salt regime (≥50 wt% LiFSI) shows diffusion through free lithium ion hopping transfer, which has a stronger dependence on temperature and yields higher transference numbers (0.31 at RT). Increasing lithium salt concentration shows an inverse linear correlation with conductivity. The electrochemical characteristics of ternary IL/PIL/lithium salt are shown to be highly tuneable by varying the lithium salt fraction, while it maintains excellent characteristics like processability, stability and mechanical function.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116854"},"PeriodicalIF":3.0,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783459","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

Zirconia-free fine-grained NASICON-type solid electrolyte prepared from Mg2+, Y3+ co-doping zirconia precursors 由Mg2+， Y3+共掺杂氧化锆前驱体制备无氧化锆细晶nasicon型固体电解质

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-05 DOI: 10.1016/j.ssi.2025.116856

Tianrun Li, Meihua Liu, Xiaolin Zhang, Guoqiang Li, Shixin Xiao

{"title":"Zirconia-free fine-grained NASICON-type solid electrolyte prepared from Mg2+, Y3+ co-doping zirconia precursors","authors":"Tianrun Li, Meihua Liu, Xiaolin Zhang, Guoqiang Li, Shixin Xiao","doi":"10.1016/j.ssi.2025.116856","DOIUrl":"10.1016/j.ssi.2025.116856","url":null,"abstract":"<div><div>The increasing demand for all-solid-state batteries with high energy density and enhanced safety has attracted attention to the development of high-performance solid-state electrolytes. NASICON-structured Na3Zr2Si2PO12 is considered as a promising solid-state electrolyte material due to its superior thermal and chemical stability. However, its practical application is constrained by the presence of monoclinic ZrO2 (m-ZrO2) impurity phase and low ionic conductivity at room temperature. This study presents the synthesis of fine-grained (0.5–0.7 μm) NASICON-type materials free from m-ZrO2 impurity phase via a solid-state method, and using Mg2+ and Y3+ co-doped zirconia precursor as a substitute for conventional zirconia. The elimination of the m-ZrO2 impurity phase and the implementation of Mg2+ and Y3+ co-doping strategy simultaneously optimized the bulk and grain boundary structure, reduced resistance, and enlarged the bottleneck size of Na+ ion transport channels. AC impedance spectroscopy analysis revealed that the room temperature conductivity of Na3.32Mg0.16Zr1.84Si2PO12 doped with 8 mol% MgO increased from 0.43 mS cm−1 to 1.10 mS cm−1, and further increased to 2.32 mS cm−1 upon substitution of MgO with 2 mol% Y2O3 in Na3.32Mg0.12Y0.08Zr1.84Si2PO12. This study presents a feasible approach to enhance the ionic conductivity of NASICON-structured solid-state electrolytes through the regulation of multiple factors.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116856"},"PeriodicalIF":3.0,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776761","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

Practical assessment of cobalt-free Li2MnO3-based layered materials for Li battery applications 锂电池应用中无钴li2mno3基层状材料的实际评估

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-03 DOI: 10.1016/j.ssi.2025.116855

Yosuke Ugata , Chihaya Motoki , Tokuhiko Handa , Naoaki Yabuuchi

{"title":"Practical assessment of cobalt-free Li2MnO3-based layered materials for Li battery applications","authors":"Yosuke Ugata , Chihaya Motoki , Tokuhiko Handa , Naoaki Yabuuchi","doi":"10.1016/j.ssi.2025.116855","DOIUrl":"10.1016/j.ssi.2025.116855","url":null,"abstract":"<div><div>As cost-effective and Co-free positive electrode materials, a solid solution material between Li2MnO3 and LiNi0.5Mn0.5O2, Li1.2Ni0.2Mn0.6O2, delivers a large reversible capacity over 220 mA h g−1 through reversible anionic redox of oxide ions. However, a practical problem of this material is found in the insufficient reversibility as electrode materials associated with partial oxygen loss during charging process. In this study, Li1.2Al0.04Ni0.18Mn0.58O2, where Ni and Mn ions in Li1.2Ni0.2Mn0.6O2 are partially substituted with Al ions, is synthesized via a solid-state reaction. Li1.2Al0.04Ni0.18Mn0.58O2 samples with the optimized surface area are further synthesized at different calcination temperatures. Al3+-substituted sample with the optimized surface area partially suppresses the capacity fading and voltage decay on continuous electrochemical cycles, ∼ 500 cycles. Moreover, the use of highly concentrated electrolytes with high oxidative stability efficiently improves electrode reversibility of Li1.2Al0.04Ni0.18Mn0.58O2. Nevertheless, important practical problems are still found in inevitable voltage decay and inferior charge rate capability, both originating from the character of anionic redox reaction. Further research efforts are necessary to overcome these drawbacks and to adopt Mn-based electrode materials with anionic redox for practical battery applications, especially for electric vehicles.</div></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":"424 ","pages":"Article 116855"},"PeriodicalIF":3.0,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760330","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

Fluoride-ion conductivity of scheelite-type LiYb1-xMxF4±x (M = Mg, Ca, Sr, Hf) 白钨矿型LiYb1-xMxF4±x （M = Mg, Ca, Sr, Hf）的氟离子电导率

IF 3 4区材料科学

Solid State Ionics Pub Date : 2025-04-02 DOI: 10.1016/j.ssi.2025.116851

Kota Onuki , Naoki Matsui , Kota Suzuki , Masaaki Hirayama , Ryoji Kanno

引用次数: 0