To unveil the charge storage mechanisms and interface properties of electrode materials is very challenging for Na-ion storage. In this work, we report that the novel layered perovskite Bi2TiO4F2@reduced graphene oxides (BTOF@rGO) serves as a promising anode for Na-ion storage in an ether-based electrolyte, which exhibits much better electrochemical performance than in an ester-based electrolyte. Interestingly, BTOF@rGO possesses a prominent specific capacity of 458.3–102 mAh g−1/0.02–1 A g−1 and a high initial coulombic efficiency (ICE) of 70.3%. Cross-sectional morphology and depth profile surface chemistry indicate not only a denser reactive interfacial layer but also a superior solid electrolyte interface film containing a higher proportion of inorganic components, which accelerates Na+ migration and is an essential factor for the improvement of ICE and other electrochemical properties. Electrochemical tests and ex situ measurements demonstrate the triple hybridization Na-ion storage mechanism of conversion, alloying, and intercalation for BTOF@rGO in the ether-based electrolyte. Furthermore, the Na-ion batteries assembled with the BTOF@rGO anode and the commercial Na3V2(PO4)2F3@C cathode exhibit remarkable energy densities and power densities. Overall, the work shows deep insights on developing advanced electrode materials for efficient Na-ion storage.
要揭示电极材料的电荷存储机制和界面特性,对于瑙离子存储来说非常具有挑战性。在这项工作中,我们报告了新型层状包晶Bi2TiO4F2@还原石墨烯氧化物(BTOF@rGO)在醚基电解质中作为瑙离子存储阳极的前景,其电化学性能远远优于酯基电解质。有趣的是,BTOF@rGO 的比容量高达 458.3-102 mAh g-1/0.02-1 A g-1,初始库仑效率高达 70.3%。横截面形貌和深度剖面表面化学性质表明,不仅反应界面层更致密,而且固体电解质界面膜更优异,含有更高比例的无机成分,这加速了 Na+ 迁移,是提高 ICE 和其他电化学性能的重要因素。电化学测试和原位测量证明了 BTOF@rGO 在醚基电解质中的转化、合金化和插层三重杂化 Na 离子存储机制。此外,用 BTOF@rGO 阳极和商用 Na3V2(PO4)2F3@C 阴极组装的瑙离子电池表现出显著的能量密度和功率密度。总之,该研究成果对开发用于高效氖离子存储的先进电极材料具有深刻的启示。
{"title":"Unveiling Na-ion storage mechanism and interface property of layered perovskite Bi2TiO4F2@rGO anode in ether-based electrolyte","authors":"Miao Yan, Qi Fang, Rui Ding, Yi Li, Jian Guo, Jinmei Xie, Yuzhen Zhang, Yuming He, Ziyang Yan, Zhiqiang Chen, Xiujuan Sun, Enhui Liu","doi":"10.1002/cnl2.163","DOIUrl":"https://doi.org/10.1002/cnl2.163","url":null,"abstract":"<p>To unveil the charge storage mechanisms and interface properties of electrode materials is very challenging for Na-ion storage. In this work, we report that the novel layered perovskite Bi<sub>2</sub>TiO<sub>4</sub>F<sub>2</sub>@reduced graphene oxides (BTOF@rGO) serves as a promising anode for Na-ion storage in an ether-based electrolyte, which exhibits much better electrochemical performance than in an ester-based electrolyte. Interestingly, BTOF@rGO possesses a prominent specific capacity of 458.3–102 mAh g<sup>−1</sup>/0.02–1 A g<sup>−1</sup> and a high initial coulombic efficiency (ICE) of 70.3%. Cross-sectional morphology and depth profile surface chemistry indicate not only a denser reactive interfacial layer but also a superior solid electrolyte interface film containing a higher proportion of inorganic components, which accelerates Na<sup>+</sup> migration and is an essential factor for the improvement of ICE and other electrochemical properties. Electrochemical tests and ex situ measurements demonstrate the triple hybridization Na-ion storage mechanism of conversion, alloying, and intercalation for BTOF@rGO in the ether-based electrolyte. Furthermore, the Na-ion batteries assembled with the BTOF@rGO anode and the commercial Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub>@C cathode exhibit remarkable energy densities and power densities. Overall, the work shows deep insights on developing advanced electrode materials for efficient Na-ion storage.</p>","PeriodicalId":100214,"journal":{"name":"Carbon Neutralization","volume":"3 5","pages":"818-831"},"PeriodicalIF":0.0,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnl2.163","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142316627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Two-dimensional materials exhibit significant potential and wide-ranging application prospects owing to their remarkable tunability, pronounced quantum confinement effects, and notable surface sensitivity. The switching, optoelectronics, and gas-sensitive properties of the new carbon material poly-cyclooctatetraene framework (PCF)-graphene were systematically studied using density functional theory combined with the nonequilibrium Green's function method. First, the diode device based on PCF-graphene monolayer exhibited an impressive switching ratio of 106, demonstrating excellent diode characteristics. Moreover, in the investigation of the pin junction utilizing monolayer PCF-graphene, it is noteworthy that significant photocurrent responses were observed in both the zigzag and armchair directions, specifically within the visible and ultraviolet regions. Finally, gas sensors employing monolayer and bilayer PCF-graphene demonstrate significant chemical adsorption capabilities for NO and NO2. Notably, the maximum gas sensitivity for NO is achieved in monolayer PCF-graphene, reaching 322% at a bias voltage of 1.0 V. Meanwhile, for bilayer PCF-graphene-based gas sensor, the maximum gas sensitivity reaches 52% at a bias voltage of 0.4 V. In addition, the study also examined the influence of various environmental conditions, specifically H2O, O, and OH, on the system under investigation. The obtained results emphasize the multifunctional properties of PCF-graphene, exhibiting significant potential for various applications, including switching devices, optoelectronic devices, and gas sensors.
二维材料因其显著的可调谐性、明显的量子约束效应和明显的表面敏感性而展现出巨大的潜力和广泛的应用前景。本研究采用密度泛函理论结合非平衡格林函数方法,系统地研究了新型碳材料聚环辛四烯框架(PCF)-石墨烯的开关、光电和气敏特性。首先,基于 PCF-石墨烯单层的二极管器件的开关比达到了惊人的 106,显示出优异的二极管特性。此外,在研究利用单层 PCF 石墨烯的引脚结时,值得注意的是在之字形和扶手椅方向都观察到了显著的光电流响应,特别是在可见光和紫外线区域。最后,采用单层和双层 PCF 石墨烯的气体传感器对 NO 和 NO2 具有显著的化学吸附能力。值得注意的是,单层 PCF 石墨烯对 NO 的气体灵敏度最高,在偏置电压为 1.0 V 时达到 322%。同时,对于基于双层 PCF 石墨烯的气体传感器,在偏置电压为 0.4 V 时,最大气体灵敏度达到 52%。此外,研究还考察了各种环境条件(特别是 H2O、O 和 OH)对所研究系统的影响。研究结果表明,PCF-石墨烯具有多功能特性,在开关器件、光电器件和气体传感器等各种应用领域具有巨大潜力。
{"title":"A systematic study of switching, optoelectronics, and gas-sensitive properties of PCF-graphene-based nanodevices: Insights from DFT study","authors":"Wenhao Yang, Tong Chen, Luzhen Xie, Yang Yu, Mengqiu Long, Liang Xu","doi":"10.1002/cnl2.156","DOIUrl":"10.1002/cnl2.156","url":null,"abstract":"<p>Two-dimensional materials exhibit significant potential and wide-ranging application prospects owing to their remarkable tunability, pronounced quantum confinement effects, and notable surface sensitivity. The switching, optoelectronics, and gas-sensitive properties of the new carbon material poly-cyclooctatetraene framework (PCF)-graphene were systematically studied using density functional theory combined with the nonequilibrium Green's function method. First, the diode device based on PCF-graphene monolayer exhibited an impressive switching ratio of 10<sup>6</sup>, demonstrating excellent diode characteristics. Moreover, in the investigation of the pin junction utilizing monolayer PCF-graphene, it is noteworthy that significant photocurrent responses were observed in both the zigzag and armchair directions, specifically within the visible and ultraviolet regions. Finally, gas sensors employing monolayer and bilayer PCF-graphene demonstrate significant chemical adsorption capabilities for NO and NO<sub>2</sub>. Notably, the maximum gas sensitivity for NO is achieved in monolayer PCF-graphene, reaching 322% at a bias voltage of 1.0 V. Meanwhile, for bilayer PCF-graphene-based gas sensor, the maximum gas sensitivity reaches 52% at a bias voltage of 0.4 V. In addition, the study also examined the influence of various environmental conditions, specifically H<sub>2</sub>O, O, and OH, on the system under investigation. The obtained results emphasize the multifunctional properties of PCF-graphene, exhibiting significant potential for various applications, including switching devices, optoelectronic devices, and gas sensors.</p>","PeriodicalId":100214,"journal":{"name":"Carbon Neutralization","volume":"3 5","pages":"904-917"},"PeriodicalIF":0.0,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnl2.156","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141921924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aqueous rechargeable zinc–iodine batteries have gained traction as a promising solution due to their suitable theoretical energy density, cost-effectiveness, eco-friendliness, and safety features. However, challenges such as the polyiodide shuttle effect, low iodine cathode conductivity, zinc anode dendritic growth, and the requirement for efficient separators and electrolytes hinder their commercial prospects. Hence, this review highlights recent progress in refining the core optimization strategies of zinc–iodine batteries, focusing on enhancements to the cathode, anode, separator, and electrolyte. Cathode improvements involve the addition of inorganic, organic, and hybrid materials to counteract the shuttle effect and boost redox kinetics, where these functional materials also are applied in anode modifications to curb dendritic growth and enhance cycling stability. Meanwhile, cell separator design approaches that effectively block polyiodide shuttle while promoting uniform zinc deposition are also discussed, while electrolyte innovations target zinc corrosion and polyiodide dissolution. Ultimately, the review aims to map out a strategy for developing zinc–iodine batteries that are efficient, safe, and economical, aligning with the demands of contemporary energy storage.
{"title":"Emerging strategies for the improvement of modifications in aqueous rechargeable zinc–iodine batteries: Cathode, anode, separator, and electrolyte","authors":"Yuwei Zhao, Xinyu Chen, Weina Guo, Chenyang Zha","doi":"10.1002/cnl2.155","DOIUrl":"https://doi.org/10.1002/cnl2.155","url":null,"abstract":"<p>Aqueous rechargeable zinc–iodine batteries have gained traction as a promising solution due to their suitable theoretical energy density, cost-effectiveness, eco-friendliness, and safety features. However, challenges such as the polyiodide shuttle effect, low iodine cathode conductivity, zinc anode dendritic growth, and the requirement for efficient separators and electrolytes hinder their commercial prospects. Hence, this review highlights recent progress in refining the core optimization strategies of zinc–iodine batteries, focusing on enhancements to the cathode, anode, separator, and electrolyte. Cathode improvements involve the addition of inorganic, organic, and hybrid materials to counteract the shuttle effect and boost redox kinetics, where these functional materials also are applied in anode modifications to curb dendritic growth and enhance cycling stability. Meanwhile, cell separator design approaches that effectively block polyiodide shuttle while promoting uniform zinc deposition are also discussed, while electrolyte innovations target zinc corrosion and polyiodide dissolution. Ultimately, the review aims to map out a strategy for developing zinc–iodine batteries that are efficient, safe, and economical, aligning with the demands of contemporary energy storage.</p>","PeriodicalId":100214,"journal":{"name":"Carbon Neutralization","volume":"3 5","pages":"918-949"},"PeriodicalIF":0.0,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnl2.155","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142316674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Front cover image: By serving as conductive binders, active material hosts, current collectors, and even as components of separators and interlayers, MXenes have demonstrated their adaptability and multifunctionality in different battery chemistries. Their ability to mitigate issues like dendrite growth, shuttle effects, and poor mechanical stability have significant implications for extending battery lifespan, increasing energy density, and ensuring operational safety.