Batteries & Supercaps最新文献_第10页

Direct Powder Adhesion Method of Quinone-Based Aqueous Supercapacitor for Roll-to-Roll Process 用于卷对卷工艺的醌基水性超级电容器的直接粉末粘附法

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-25 DOI: 10.1002/batt.202400721

Nagihiro Haba, Dr. Yuto Katsuyama, Ayaka Kido, Keisuke Morimoto, Dr. Yuta Nakayasu

{"title":"Direct Powder Adhesion Method of Quinone-Based Aqueous Supercapacitor for Roll-to-Roll Process","authors":"Nagihiro Haba, Dr. Yuto Katsuyama, Ayaka Kido, Keisuke Morimoto, Dr. Yuta Nakayasu","doi":"10.1002/batt.202400721","DOIUrl":"10.1002/batt.202400721","url":null,"abstract":"Quinone-based supercapacitors have been a growing research target as the next generation energy storage due to their high energy density and their environmental sustainability. However, the commercialization of these organic supercapacitors remains challenging due to complex fabrication processes and insufficient electrochemical performance. In this study, we introduce a novel fabrication method, direct powder adhesion (DPA), which simplifies electrode production while enhancing rate performance. Compared to conventional multi-step pressing methods, the DPA technique produces electrodes with lower density (0.48 g cm−3 vs. 0.52 g cm−3) and significantly improves conductivity (0.74 Ω cm vs. 1.98 Ω cm). Electrochemical testing of quinone-impregnated electrodes demonstrates a high specific capacity of 217 mAh g−1 at 0.5 C. The DPA method demonstrated 3.5 -fold increase in the specific capacity at 5 C compared to the conventional method, showing high reversibility at higher C rates. Even when the electrode was scaled up by more than >8 times to a more practical size, the same specific capacity of 217 mAh g−1 at 0.5 C was achieved, demonstrating excellent scalability. Despite some challenges with high overpotential at higher rates, this study takes a significant step toward the mass production of high-performance organic supercapacitors.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 7","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/batt.202400721","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144635630","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

Template-Free N-Doped Hierarchical Porous Carbon from Azobenzene-Interconnected Polyimide for Ultra-Stable Supercapacitor Electrodes 无模板氮掺杂层次化多孔碳偶氮苯连接聚酰亚胺超稳定超级电容器电极

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-24 DOI: 10.1002/batt.202400710

He Zhou, Yunjiao Gu, Fenghua Liu, Prof. Weiping Wu

{"title":"Template-Free N-Doped Hierarchical Porous Carbon from Azobenzene-Interconnected Polyimide for Ultra-Stable Supercapacitor Electrodes","authors":"He Zhou, Yunjiao Gu, Fenghua Liu, Prof. Weiping Wu","doi":"10.1002/batt.202400710","DOIUrl":"10.1002/batt.202400710","url":null,"abstract":"Facile preparation of N-doped hierarchical porous carbon (NHPC) materials with controllable composition and porosity is crucial for advancing the development of high-performance supercapacitors. In this study, a new NHPC has been created by first using the one-pot synthesis of in-situ dual-crosslinking azobenzene-interconnected polyimide precursors from ingeniously designed three monomers, followed by carbonization activation. We have found that during the polymer precursor synthesis stage, the incorporation of azobenzene into the polyimide network is the key, as it not only functions as an in-situ N-rich source but also enables the template-free formation of a multi-scale micro/nanoporous carbon structure, which is critical for enhancing electrical performance and stability. The resulting N-doped carbon material with a specific surface area of 900.1 m2 g−1 exhibits a maximum capacitance of 179.2 F g−1 in a three-electrode configuration. The assembled symmetric supercapacitor using NHPC as the electrode delivers a good energy density (18.0 Wh kg−1) and power density (799.51 W kg−1) at a current density of 1 A g−1. Most notably, the NHPC electrode retains an efficiency of 113.5 % without decrease, demonstrating impressive cycling stability, even after 5000 charge-discharge cycles at 10 A g−1. This study offers a new and universal molecular design methodology for advancing supercapacitor materials with outstanding cycling stabilities.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 7","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144635561","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

Optimizing the Power Performance of Lithium-Ion Batteries: The Role of Separator Porosity and Electrode Mass Loading 优化锂离子电池的功率性能：隔板孔隙率和电极质量载荷的作用

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-24 DOI: 10.1002/batt.202400638

Seungyeop Choi, Jun Pyo Seo, Jaejin Lim, Cyril Bubu Dzakpasu, Youngjoon Roh, Cheol Bak, Suhwan Kim, Prof. Hongkyung Lee, Prof. Yong Min Lee

{"title":"Optimizing the Power Performance of Lithium-Ion Batteries: The Role of Separator Porosity and Electrode Mass Loading","authors":"Seungyeop Choi, Jun Pyo Seo, Jaejin Lim, Cyril Bubu Dzakpasu, Youngjoon Roh, Cheol Bak, Suhwan Kim, Prof. Hongkyung Lee, Prof. Yong Min Lee","doi":"10.1002/batt.202400638","DOIUrl":"10.1002/batt.202400638","url":null,"abstract":"This study investigates the concealed effect of separator porosity on the electrochemical performance of lithium-ion batteries (LIBs) in thin and thick electrode configuration. The effect of the separator is expected to be more pronounced in cells with thin electrodes due to its high volumetric/resistance ratio within the cell. However, the electrochemical analyses show similar power performance regardless of the separator porosity in the thin electrode configuration. In contrast, for cells with thick electrodes, separator porosity significantly impacts the direct current-internal resistance (DC-IR) and the capacity retention at a high rate. This behavior is attributed to ion concentration gradients in the upper regions of thick electrodes, while Li+ transfer to lower regions is hampered as the electrode thickness increases. These findings suggest that the intrinsic properties of individual cell components, such as separator porosity, are highly dependent on the overall cell design. Moreover, while high-porosity separators enhance power performance, particularly in thick electrode configurations, they exhibit lower thermal stability and tensile strength. In conclusion, this study highlights the need for an integrated approach to optimizing separator characteristics, considering both electrochemical performance and safety trade-offs in LIBs.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 4","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143827087","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

Recessed Microelectrodes as a Platform to Investigate the Intrinsic Redox Process of Prussian Blue Analogs for Energy Storage Application 嵌入式微电极作为研究普鲁士蓝类似物储能应用的内在氧化还原过程的平台

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-24 DOI: 10.1002/batt.202400743

Nomnotho Jiyane, Carla Santana Santos, Igor Echevarria Poza, Mario Palacios Corella, Muhammad Adib Abdillah Mahbub, Gimena Marin-Tajadura, Thomas Quast, Maria Ibáñez, Edgar Ventosa, Wolfgang Schuhmann

{"title":"Recessed Microelectrodes as a Platform to Investigate the Intrinsic Redox Process of Prussian Blue Analogs for Energy Storage Application","authors":"Nomnotho Jiyane, Carla Santana Santos, Igor Echevarria Poza, Mario Palacios Corella, Muhammad Adib Abdillah Mahbub, Gimena Marin-Tajadura, Thomas Quast, Maria Ibáñez, Edgar Ventosa, Wolfgang Schuhmann","doi":"10.1002/batt.202400743","DOIUrl":"10.1002/batt.202400743","url":null,"abstract":"The determination of the intrinsic properties of solid active material candidates is essential for their performance optimization. However, macroscopic electrodes and related analytical techniques show challenges concerning the number of additional influencing parameters. We explore recessed microelectrodes (rME) as a platform that allows for a binder-free investigation of Prussian Blue analogues (PBA), a family of promising battery materials. The enhanced diffusion using microelectrochemical tools is indispensable to assess the intrinsic material performance, overcoming the limitation of cation diffusion from the electrolyte to the solid interface during (dis)charging cycles and allowing the investigation of limiting steps in the coupled ion-electron transfer process. The intrinsic electrochemical performance of PBAs was studied in a three-electrode configuration by means of cyclic voltammetry and galvanostatic (dis)charging in aqueous Na+-containing electrolyte. We extended the evaluation to the role of the electrolyte on the performance of cathodic and anodic processes of a Mn-based PBA. Ex-situ and operando chemical characterization were coupled to support the microelectrochemical results.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 3","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/batt.202400743","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143633024","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

Electrodeposition-Potential Tuning Rejuvenates the Concurrent Preparation from α-Co(OH)2 with Larger Interlayer-Spacings to β-Co(OH)2 电沉积电位调整使α-Co(OH)2的同步制备从具有较大层间距的α-Co(OH)2恢复到β-Co(OH)2

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-23 DOI: 10.1002/batt.202400699

Xiangyu Wu, Meiqi Liu, Zhou Jiang, Jingjuan Li, Kexin Song, Aofei Wei, Detian Meng, Taowen Dong, Zhenhai Gao, Wei Zhang, Weitao Zheng

{"title":"Electrodeposition-Potential Tuning Rejuvenates the Concurrent Preparation from α-Co(OH)2 with Larger Interlayer-Spacings to β-Co(OH)2","authors":"Xiangyu Wu, Meiqi Liu, Zhou Jiang, Jingjuan Li, Kexin Song, Aofei Wei, Detian Meng, Taowen Dong, Zhenhai Gao, Wei Zhang, Weitao Zheng","doi":"10.1002/batt.202400699","DOIUrl":"10.1002/batt.202400699","url":null,"abstract":"Electrodeposition is a popular method for preparing α-Co(OH)2 as an electrode material for electrochemical energy storage. However, the preparation of technically important β-Co(OH)2 through electrodeposition remains lacking thus far. Herein, we successfully prepared Co(OH)2 in two phases, α- and β-Co(OH)2, by simply adjusting the electrodeposition potentials, as evidenced by a package of microcopy and spectroscopy analysis. Benefited from a delicate embedding and sectioning technique that may inhibit the loss of interlayer water in microscopy analysis, we find the presence of Co tetrahedron in the interlayer of α-Co(OH)2 results in a large interlayer spacing of 7.2 Å for the crystal plane (003) compared to β-Co(OH)2, as well as a higher chemical valence of cobalt in electrodeposited β-Co(OH)2. The large interlayer spacing creates wider ion channels and more active storage sites for effective energy storage. Consequently, the α-Co(OH)2 electrode exhibits more competitive electrochemical performance compared to its β counterpart.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 6","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144339577","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

Engineering Current Collector with 2D TiO2 Nanosheets for Stable Lithium Metal Batteries 用于稳定锂金属电池的2D TiO2纳米片工程集流器

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-23 DOI: 10.1002/batt.202400741

Jun Seo Park, Mohammad Nasir, Donghyoung Kim, Hyung Mo Jeong, Hee Jung Park

{"title":"Engineering Current Collector with 2D TiO2 Nanosheets for Stable Lithium Metal Batteries","authors":"Jun Seo Park, Mohammad Nasir, Donghyoung Kim, Hyung Mo Jeong, Hee Jung Park","doi":"10.1002/batt.202400741","DOIUrl":"10.1002/batt.202400741","url":null,"abstract":"The formation of lithium dendrites, driven by the non-uniform deposition of lithium, remains a critical challenge for the performance and safety of lithium metal batteries. To address this issue, we engineer the surface of copper current collectors by depositing ultra-thin 2D TiO2 nanosheets with varying thicknesses (0–1200 nm) as a protective layer. Half-cells without the 2D TiO2 coating exhibit a significant decline in Coulombic efficiency after only 65 charge-discharge cycles. In contrast, the modified current collector with the smoothest surface achieves remarkable cycling stability, maintaining ~97.6 % Coulombic efficiency after 200 cycles. Full cells incorporating these nanosheets demonstrate a good discharge capacity of ~134 mAh/g after 150 cycles at a 1 C rate. The improved electrochemical performance is attributed to the high lithium affinity and reduced surface roughness of the current collector facilitated by the 2D TiO2 buffer layer. These findings emphasize the crucial role of 2D TiO2 nanosheets in regulating Li-ion deposition, thereby significantly improving the cycling stability and performance of lithium metal batteries.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 8","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144811016","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

Diffusion Coefficient and Viscosity of Methyl Viologen Electrolyte Estimation Based on a Kinetic Monte Carlo Computational Approach Coupled with the Mean Square Displacement Method 基于动力学蒙特卡洛计算方法和均方根位移法估算甲基病毒灵电解质的扩散系数和粘度

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-23 DOI: 10.1002/batt.202400430

Dr. Jia Yu, Prof. Dr. Emmanuel Baudrin, Prof. Dr. Alejandro A. Franco

{"title":"Diffusion Coefficient and Viscosity of Methyl Viologen Electrolyte Estimation Based on a Kinetic Monte Carlo Computational Approach Coupled with the Mean Square Displacement Method","authors":"Dr. Jia Yu, Prof. Dr. Emmanuel Baudrin, Prof. Dr. Alejandro A. Franco","doi":"10.1002/batt.202400430","DOIUrl":"10.1002/batt.202400430","url":null,"abstract":"Methyl viologen (MV) and its derivatives are emerging as promising candidates within the organic redox flow battery community due to their commendable reversibility and rapid reaction kinetics. However, experimental observations reveal the influence of solute concentration on the diffusion coefficient and the tendency of MV+ to form dimers or multimers, affecting electrolyte viscosity. Traditional characterization methods may not fully capture these properties. To explore concentration and state of charge effects on diffusion coefficient and viscosity, a kinetic Monte Carlo (kMC) model coupled with mean square displacement analysis is introduced. The kMC model offers a 3D simulation space with expandable periodic boundary conditions, enabling realistic ion movement. The mean square displacement (MSD) algorithm extracts diffusion coefficients, followed by the estimation of the electrolyte viscosity using the Stokes-Einstein equation. Validation with NaCl solutions precedes adaptation to simulate MV+⋅diffusion coefficients at 1.5 M with varying states of charge (SoC), aligning with experimental data. Simulation results indicate increased multimerization at higherSoCs. The diffusion coefficient of fully charged MV+⋅decreases with electrolyte concentration due to dimer and multimer formation. This modeling approach provides insights into MV+⋅behavior, crucial for organic redox flow battery development.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 3","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/batt.202400430","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143633106","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

Ru-Based Catalysts Deposited by Atomic Layer Deposition for Non-Alkaline Zn-Air Batteries 原子层沉积法制备非碱性锌空气电池用钌基催化剂

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-23 DOI: 10.1002/batt.202400774

Amit Ohayon, Olga Girshevitz, Michal Ejgenberg, Gal Radovsky, Malachi Noked, Roman R. Kapaev

{"title":"Ru-Based Catalysts Deposited by Atomic Layer Deposition for Non-Alkaline Zn-Air Batteries","authors":"Amit Ohayon, Olga Girshevitz, Michal Ejgenberg, Gal Radovsky, Malachi Noked, Roman R. Kapaev","doi":"10.1002/batt.202400774","DOIUrl":"10.1002/batt.202400774","url":null,"abstract":"Rechargeable zinc-air batteries (ZAB) are a promising energy storage solution due to their low cost, low toxicity and high theoretical energy density. However, conventional alkaline ZABs face challenges such as CO₂ absorption, zinc corrosion, and poor cycle stability. To address these issues, non-alkaline near-neutral electrolytes offer potential benefits, but they also present slower kinetics, especially during the oxygen evolution reaction (OER) at the cell charge. This study investigates the use of atomic layer deposition (ALD) to introduce Ru-based Nano-sites onto carbon cathodes to enhance catalytic activity in non-alkaline ZABs. The catalytic performance of these ALD-treated materials was evaluated in ZABs with 1 M Zn(OAc)₂ and 1 M ZnSO₄ electrolytes. ALD-treated Ru catalysts significantly lower the OER overpotentials, improving charging capacity and stability of the battery compared to pristine carbon and benchmark RuO2/C samples with a similar content of ruthenium. We also find that with the Ru-based catalyst, OER proceeds exclusively through the four-electron pathway, in contrast to a mixture of two- and four-electron mechanisms observed for the pristine carbon. Our findings show, using a model catalytical system, that non-alkaline based ZABs can be realized through cathode engineering, and that the reaction mechanism on the cathode is highly dependent on its catalytic properties.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 8","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/batt.202400774","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144809327","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

Artificial Solid-Electrolyte Interphase with PVDF-ZnF2 Double-Layer Structures Enhancing Electrochemical Performance of Sodium Metal Batteries PVDF-ZnF2双层结构人工固电解质界面提高钠金属电池电化学性能

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-23 DOI: 10.1002/batt.202400689

Kaichen Yu, Jinbiao Chen, Zhifeng Xiao, Yuqing Yang, Yanpeng Fu, Abdullah N. Alodhayb, Jie Li, Chunsheng Li, Yan Sun, Zhicong Shi

{"title":"Artificial Solid-Electrolyte Interphase with PVDF-ZnF2 Double-Layer Structures Enhancing Electrochemical Performance of Sodium Metal Batteries","authors":"Kaichen Yu, Jinbiao Chen, Zhifeng Xiao, Yuqing Yang, Yanpeng Fu, Abdullah N. Alodhayb, Jie Li, Chunsheng Li, Yan Sun, Zhicong Shi","doi":"10.1002/batt.202400689","DOIUrl":"10.1002/batt.202400689","url":null,"abstract":"Sodium metal batteries (SMBs) have attracted significant attention due to their high theoretical capacity and abundant resources. However, commercialization for this cell is challenged by the high reactivity of sodium metal, leading to detrimental side reactions with electrolytes, dendritic growth, and severe volume changes over charging/discharging cycles. These issues shorten the cycle life, reduce efficiency, and increase the risk of internal short circuits and thermal runaway. A stable solid electrolyte interphase (SEI) is key to addressing these challenges by preventing dendrite growth, homogenizing sodium ion transport, and maintaining chemical stability. This study investigates an artificial SEI(ASEI) composed of polyvinylidene fluoride (PVDF) and ZnF2, which forms a durable organic-inorganic double-layer structure. The outer organic PVDF layer enhances mechanical strength, while the inner inorganic ZnF2 layer improves sodium ion flux, preventing dendritic growth. The ASEI significantly extends cell life and enhance electrochemical performances. The NVP||50 μL −4 wt.%+100 μL −8 wt.% PVDF-ZnF2/Na cell demonstrates stable cycling for over 3000 cycles. This novel ASEI design offers promising potential for improving the energy storage properties and safety of sodium metal batteries.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 6","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144339576","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

Atomistic Transport Mechanisms in Lithium Salt-Doped Ionic Covalent Organic Framework Electrolytes 锂盐掺杂离子共价有机骨架电解质的原子输运机制

IF 4.7 4区材料科学

Batteries & Supercaps Pub Date : 2024-12-15 DOI: 10.1002/batt.202400580

Lei Cheng, Yanhao Deng, Jun Huang, Zhengyang Zhang, Huanan Duan, Yoonseob Kim, Yanming Wang

{"title":"Atomistic Transport Mechanisms in Lithium Salt-Doped Ionic Covalent Organic Framework Electrolytes","authors":"Lei Cheng, Yanhao Deng, Jun Huang, Zhengyang Zhang, Huanan Duan, Yoonseob Kim, Yanming Wang","doi":"10.1002/batt.202400580","DOIUrl":"10.1002/batt.202400580","url":null,"abstract":"Ionic covalent organic frameworks (iCOFs) have garnered significant attention as potential single-ion conductive solid-state electrolytes, where researchers have made substantial efforts in designing iCOF-based composites, aiming to improve their intrinsic low conductivity. One successful case is to fill iCOF channels with lithium salts, such as lithium bis(trifluoromethanesulfonyl)imide (LiTFSI). However, the ion transport mechanisms in these composite electrolytes are still largely unknown, hindering their further improvement. Here molecular dynamics simulations were employed to systematically predict the ion diffusivity in iCOF (e. g., TpPa-SO3Li COF)-LiTFSI composite electrolytes with varying LiTFSI compositions at different temperatures. A positive correlation was observed between Li+ diffusivity and LiTFSI:iCOF ratio, which was also verified by our experiments. Interestingly, the Li+ diffusion energy barrier obtained by the Arrhenius equation exhibited nearly no dependency on the LiTFSI concentration, indicating the importance of temperature-insensitive microstructural-related factors. Radial distribution functions revealed that with a higher LiTFSI proportion, the coordination number of SO3− decreases, while that of TFSI− increases, suggesting a competition between these two species in the Li+ solvation shell. Furthermore, configurational entropy and bond orientational order parameter calculations examined the degree of disorder in the Li+ solvation structure. These results should improve our mechanistic understanding of iCOF-based electrolytes.","PeriodicalId":132,"journal":{"name":"Batteries & Supercaps","volume":"8 4","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826842","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