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Thermal safety mitigation strategies for lithium-ion batteries under high-rate charging/discharging conditions: A comprehensive review 高倍率充放电条件下锂离子电池热安全缓解策略:综合综述
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120775
Yang Xiao , Shuibin Liu , Xingjun Hu , Zhenhai Gao , Changru Rong , Weifeng Li , Yuxin Song , Haonan Zhang
With the escalation of environmental issues, electric vehicles (EVs) powered primarily by lithium-ion batteries (LIBs) have become a significant alternative to traditional fuel vehicles. However, the pursuit of high energy density and high-rate performance has led to increasingly severe thermal safety issues related to thermal runaway (TR), which significantly hinders the further promotion of electric vehicles. To address this, this paper first reviews the mechanisms associated with thermal runaway, including its triggers, development, and propagation, which aids in a deeper understanding of thermal runaway. Subsequently, based on these mechanisms, the current advanced thermal runaway protection methods are summarized from both component-level and system-level perspectives. At the component level, enhancing the thermal safety performance of batteries through material reinforcement is the most direct approach, as these materials are the main participants in the side reactions of thermal runaway. However, when abuse scenarios occur, lithium-ion batteries still face the risk of thermal runaway; therefore, system-level protective methods are also necessary. On one hand, advanced thermal management technologies can be utilized to prevent the accumulation of heat within the battery before thermal runaway occurs, thereby reducing the likelihood of triggering thermal runaway. On the other hand, after a thermal runaway event occurs, suppression and extinguishing measures can be employed to inhibit its development and propagation, thus mitigating the hazards posed by thermal runaway. This paper constructs a comprehensive thermal safety protection system through a thorough review of the latest research findings in the field of thermal safety protection, providing maximum safety assurance for batteries operating at high rates.
随着环境问题的日益严重,以锂离子电池为主要动力的电动汽车已成为传统燃油汽车的重要替代品。然而,对高能量密度和高倍率性能的追求导致了与热失控(TR)相关的热安全问题日益严重,这极大地阻碍了电动汽车的进一步推广。为了解决这个问题,本文首先回顾了与热失控相关的机制,包括它的触发、发展和传播,这有助于更深入地理解热失控。在此基础上,从组件级和系统级两方面总结了目前先进的热失控保护方法。在组件层面,通过材料加固来提高电池的热安全性能是最直接的方法,因为这些材料是热失控副反应的主要参与者。然而,当滥用场景发生时,锂离子电池仍然面临热失控的风险;因此,系统级的保护方法也是必要的。一方面,先进的热管理技术可以在热失控发生之前防止电池内部的热量积累,从而降低引发热失控的可能性。另一方面,在热失控事件发生后,可以采取抑制和灭火措施,抑制其发展和传播,从而减轻热失控带来的危害。本文通过全面回顾热安全保护领域的最新研究成果,构建了一个全面的热安全保护体系,为电池高倍率运行提供最大限度的安全保障。
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引用次数: 0
Direct growth of CoMnO3/CoMnP4 composite and Bi2S3 nanostructured materials for long-lasting and high-performance asymmetric supercapacitors CoMnO3/ comp4复合材料和Bi2S3纳米结构材料的直接生长,用于长效和高性能非对称超级电容器
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120753
Manchi Nagaraju, Edugulla Girija Shankar, Ampasala Surya Kiran, Jae Su Yu
Transition metal oxides and phosphide-based composites have garnered significant attention for supercapacitor (SC) applications due to their remarkable theoretical capacity, long-term durability, ease of preparation, and excellent electrical conductivity. In this report, cobalt manganese oxide and cobalt manganese phosphide (CoMnO3–CoMnP4; (CMO/CoMnP)) composite materials with nanosheet (NS) morphology were prepared using a facile one-step hydrothermal method. The resulting CMO/CoMnP composite electrode material revealed a higher areal capacity/specific capacity (CA/CS) value of 952.4 μAh cm−2/258.7 mAh g−1 at 3 mA cm-2, outperforming both CoO/CoP and MnO/MnP electrodes. Owing to the advantages of NSs, which expose rich active sites and facilitate ion transport and migration between the electrode and the electrolyte, the electrochemical activity and electrical conductivity of the electrode material are improved. For the negative electrode, a bismuth sulfide (Bi2S3 (BiS)) electrode material was prepared via a hydrothermal process, showing mixed nanostructures of nanowires (NWs) and nanoflakes (NFs). The BiS electrode exhibited a high specific capacitance (CAC) of 2213.1 mF cm−2 with decent cycling stability. Later, a CMO/CoMnP/BiS//Ni foam asymmetric SC (ASC) cell was assembled using CMO/CoMnP as the positive electrode and BiS/Ni foam as the negative electrode. The fabricated ASC cell exhibited a maximum energy density (Ed) value of 218.8 μWh cm−2 (28.1 Wh kg−1). The real-time applicability of the ASC cell was tested by powering it with various electronic components.
过渡金属氧化物和磷化基复合材料因其卓越的理论容量、长期耐用性、易于制备和优异的导电性而受到超级电容器(SC)应用的极大关注。本文采用简单的一步水热法制备了具有纳米片(NS)形貌的氧化钴锰和磷化钴锰(comno3 - comp4; (CMO/CoMnP))复合材料。CMO/CoMnP复合电极材料在3 mA cm-2时的面容量/比容量(CA/CS)值为952.4 μAh cm- 2/258.7 mAh g - 1,优于CoO/CoP和MnO/MnP电极。由于NSs暴露了丰富的活性位点,促进了离子在电极和电解质之间的传递和迁移,因此提高了电极材料的电化学活性和导电性。负极采用水热法制备硫化铋(Bi2S3 (BiS))电极材料,呈现纳米线(NWs)和纳米片(NFs)的混合纳米结构。BiS电极具有2213.1 mF cm−2的高比电容(CAC)和良好的循环稳定性。随后,以CMO/CoMnP为正极,BiS/Ni泡沫为负极,组装了CMO/CoMnP/BiS/ Ni泡沫不对称SC (ASC)电池。制备的ASC电池最大能量密度(Ed)为218.8 μWh cm−2 (28.1 Wh kg−1)。通过为ASC电池提供各种电子元件,测试了其实时适用性。
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引用次数: 0
A robust inorganic coated separator enabled by polyacrylate-modified microsphere binders for high safe lithium-ion batteries 一种坚固的无机涂层分离器,由聚丙烯酸酯改性微球粘合剂实现,用于高安全性锂离子电池
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120692
Fei Song , Yinghao Xia , Hui Wang , Dejian Cheng , Guangzhao Zhang , Jingyuan Wang , Yong Zeng , Heyu Tang , Ao Jiao , Yu Yang , Yonghong Deng , Chaoyang Wang
Polyethylene separators (PE) are widely used in lithium-ion batteries due to their good electrochemical stability and low cost. However, PE separators have issues including high-temperature shrinkage and poor electrolyte wettability, which reduce the safety and electrochemical performance of batteries. In this work, we synthesized a large-sized microsphere binder (SNE) and designed an inorganic ceramic/polymer composite coating strategy. The prepared single-layer PE/SNE separator exhibits a unique micro-convex structure, where microspheres with diameters slightly larger than the thickness of the ceramic layer are partially exposed outside the composite coating. The electrodes and separators are hot-pressed to make the microspheres viscoelastic, which effectively bonds the electrodes, prevents sliding, and strengthens the interface to reduce interface impedance. Compared to traditional PVDF-coated ceramic separators, PE/SNE separators feature simple production processes, lower cost, and environmental friendliness. The ceramic-coated optimized PE/SNE separator can maintain shrinkage of <1% at 130 °C/0.5 h and improves the ionic conductivity (0.83 mS/cm) and lithium-ion transference number (tLi+ = 0.62). Due to the optimized hot-pressed interface and improved overall performance of the PE/SNE separator, the NCM622//Li cell has a discharge capacity of 118 mAh/g at 5C, and the NCM622//graphite full cell has a capacity retention rate of 81% after stable cycling for 1500 cycles at 2C. This approach offers a promising method for developing lithium-ion battery separators with enhanced safety and cycling performance.
聚乙烯隔膜由于其良好的电化学稳定性和低廉的成本在锂离子电池中得到了广泛的应用。然而,PE分离器存在高温收缩和电解质润湿性差等问题,这些问题降低了电池的安全性和电化学性能。在这项工作中,我们合成了一种大尺寸微球粘合剂(SNE),并设计了一种无机陶瓷/聚合物复合涂层策略。制备的单层PE/SNE分离器具有独特的微凸结构,其中直径略大于陶瓷层厚度的微球部分暴露在复合涂层外。电极和分离器经过热压处理,使微球具有粘弹性,能有效粘结电极,防止滑动,增强界面,降低界面阻抗。与传统的pvdf涂层陶瓷分离器相比,PE/SNE分离器具有生产工艺简单、成本低、环境友好等特点。经优化的陶瓷包覆PE/SNE分离器在130℃/0.5 h下可保持1%的收缩率,提高了离子电导率(0.83 mS/cm)和锂离子转移数(tLi+ = 0.62)。由于优化了热压界面,提高了PE/SNE分离器的整体性能,NCM622//锂电池在5C下的放电容量为118 mAh/g, NCM622//石墨电池在2C下稳定循环1500次后的容量保持率为81%。这种方法为开发具有增强安全性和循环性能的锂离子电池隔膜提供了一种很有前途的方法。
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引用次数: 0
Degradation of LiFePO4 batteries after a real hybrid-bus extended application: Investigation of ageing phenomena and heterogeneity of performance 混合动力客车扩展应用后LiFePO4电池的退化:老化现象和性能异质性的研究
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120653
G. Sordi , G.M. Trippetta , D. Luder , S. Berg , W. Li , E. Figgemeier , D.U. Sauer , A. Casalegno , C. Rabissi
Li-ion battery rapidly emerged as a key enabling technology towards the widespread adoption of low and zero-emissions vehicles. However, the understanding of long-term degradation still requires consolidation due to the complex interplay of several ageing mechanisms. Furthermore, it is widely reported in the literature that major differences could occur between laboratory-induced and real-world degradation. Hence, this work analyses a batch of 24 LFP cells aged in a hybrid-bus application for up to 8 years. The combined use of a selection of experimental measurements, ex-situ investigations and physical model simulations is the proposed tool to quantify the performance decay, identify the most important degradation mechanism, assess the heterogeneity among cells and relate it with the operating conditions. The characterisation showed significant heterogeneity in residual capacity (from 80% down to 55% with respect to BoL) and impedance, suggesting an uneven module cooling effectiveness. Electrolyte degradation, generating together with Solid-electrolyte interface (SEI) growth a passivation and precipitation layer on the negative electrode surface, is identified as the dominant degradation mechanism, leading to a large loss of both lithium inventory and electrolyte conductivity, as suggested by modelling analyses and confirmed with ex-situ investigations. This work provides novel insights into the state of health of a spent lithium-ion battery from the field as preliminary activity towards battery second life.
锂离子电池迅速成为广泛采用低排放和零排放汽车的关键技术。然而,由于几种老化机制的复杂相互作用,对长期退化的理解仍然需要巩固。此外,在文献中广泛报道,实验室诱导的降解和现实世界的降解之间可能发生重大差异。因此,这项工作分析了一批24个LFP细胞在混合动力客车应用中老化长达8年。综合使用一系列实验测量、非原位调查和物理模型模拟是提出的量化性能衰减的工具,确定最重要的降解机制,评估细胞之间的异质性,并将其与操作条件联系起来。表征显示了剩余容量(相对于BoL从80%下降到55%)和阻抗的显著异质性,表明模块冷却效率不均匀。电解质降解与固体电解质界面(SEI)生长一起在负极表面产生钝化和沉淀层,被认为是主要的降解机制,导致锂库存和电解质电导率的大量损失,这一结果由模型分析和非原位研究证实。这项工作为废旧锂离子电池的健康状况提供了新的见解,作为电池二次寿命的初步活动。
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引用次数: 0
Research progress, challenges and prospects of solid-state electrolyte 固态电解质的研究进展、挑战与展望
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2025.120323
Pengfei Wu, Bin Guan , Lei Zhu, Tiankui Zhu, Zhongqi Zhuang, Junyan Chen, Xuehan Hu, Chenyu Zhu, Sikai Zhao, Kaiyou Shu, Hongtao Dang, Junjie Gao, Luyang Zhang, Yuan Li, Luoxin Xu, Yunlong Bai, Shuo Wei, Yuyang Mao, Wenbo Zeng, Shuai Chen, Zhen Huang
With the growing demand for safer and higher-energy-density batteries, solid-state electrolytes have evolved into critical components for next-generation all-solid-state batteries (ASSBs). This review comprehensively summarizes recent advances in solid-state electrolytes, covering oxide, sulfide, halide, borohydride, and polymer-based systems, with a focus on their synthesis methods, structural characteristics, and ion transport mechanisms. Key challenges, including ionic conductivity bottleneck, interfacial instability, dendrite formation, and environmental susceptibility, are discussed. The review highlights innovative strategies—including element doping, nanostructural design, crystalline surface engineering, and composite approaches—to enhance ionic conductivity, electrochemical stability, and mechanical properties. Future directions emphasize the integration of multi-functional interfaces, scalable synthesis techniques, and compatibility with high-voltage cathodes and lithium metal anodes. This work aims to summarize the research progress on solid electrolytes in recent years and provide guidance for future research.
随着对更安全、高能量密度电池的需求不断增长,固态电解质已发展成为下一代全固态电池(assb)的关键部件。本文综述了固体电解质的最新进展,包括氧化物、硫化物、卤化物、硼氢化物和聚合物体系,重点介绍了它们的合成方法、结构特征和离子传输机制。讨论了离子电导率瓶颈、界面不稳定性、枝晶形成和环境敏感性等关键挑战。这篇综述强调了创新策略,包括元素掺杂、纳米结构设计、晶体表面工程和复合方法,以提高离子电导率、电化学稳定性和机械性能。未来的方向强调多功能接口的集成,可扩展的合成技术,以及与高压阴极和锂金属阳极的兼容性。本文旨在总结近年来固体电解质的研究进展,为今后的研究提供指导。
{"title":"Research progress, challenges and prospects of solid-state electrolyte","authors":"Pengfei Wu,&nbsp;Bin Guan ,&nbsp;Lei Zhu,&nbsp;Tiankui Zhu,&nbsp;Zhongqi Zhuang,&nbsp;Junyan Chen,&nbsp;Xuehan Hu,&nbsp;Chenyu Zhu,&nbsp;Sikai Zhao,&nbsp;Kaiyou Shu,&nbsp;Hongtao Dang,&nbsp;Junjie Gao,&nbsp;Luyang Zhang,&nbsp;Yuan Li,&nbsp;Luoxin Xu,&nbsp;Yunlong Bai,&nbsp;Shuo Wei,&nbsp;Yuyang Mao,&nbsp;Wenbo Zeng,&nbsp;Shuai Chen,&nbsp;Zhen Huang","doi":"10.1016/j.est.2025.120323","DOIUrl":"10.1016/j.est.2025.120323","url":null,"abstract":"<div><div>With the growing demand for safer and higher-energy-density batteries, solid-state electrolytes have evolved into critical components for next-generation all-solid-state batteries (ASSBs). This review comprehensively summarizes recent advances in solid-state electrolytes, covering oxide, sulfide, halide, borohydride, and polymer-based systems, with a focus on their synthesis methods, structural characteristics, and ion transport mechanisms. Key challenges, including ionic conductivity bottleneck, interfacial instability, dendrite formation, and environmental susceptibility, are discussed. The review highlights innovative strategies—including element doping, nanostructural design, crystalline surface engineering, and composite approaches—to enhance ionic conductivity, electrochemical stability, and mechanical properties. Future directions emphasize the integration of multi-functional interfaces, scalable synthesis techniques, and compatibility with high-voltage cathodes and lithium metal anodes. This work aims to summarize the research progress on solid electrolytes in recent years and provide guidance for future research.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":"152 ","pages":"Article 120323"},"PeriodicalIF":8.9,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sharing alliance of large new energy station with self-contained energy storage and its economic benefit analysis based on cooperative game theory 基于合作博弈论的自备储能大型新能源站共享联盟及其经济效益分析
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120667
Pingping Shi , Yaogang Hu , Shunqiang Liu , Weidong Hao , Haiwang Zhong , Yu Zhong , Li Zhou
To tackle the problems of the unspecified operational mechanism of shared alliances in new energy stations (SA-NES), as well as the unclear relationship between the lifespan degradation of energy storage batteries and its impact on station revenue, this paper proposes an operational mechanism for a self-contained energy storage (SES) sharing alliance for large new energy stations. The mechanism is based on the division of operational scenarios to coordinate the energy storage resources of multiple new energy stations. Using cooperative game theory, a genetic optimization algorithm is applied to achieve the optimal distribution of charging and discharging power for SES at each station, and battery lifespan is evaluated using data on state of charge (SOC) and depth of discharge. Case studies have shown that compared to a non-sharing alliance, the sharing alliance operational mechanism increases overall alliance revenue by 12.29%. However, under this mechanism, the service life of the energy storage systems at each station is reduced by 2.42%, 1.42%, and 1.89%, respectively. This study provides valuable insights for energy storage operators in configuring appropriate energy storage capacities and SOC levels, enabling them to quickly recover the investment costs of energy storage while increasing revenue.
针对新能源站共享联盟运行机制不明确,以及储能电池寿命退化与其对站收益影响关系不明确的问题,提出了大型新能源站自给式储能共享联盟的运行机制。该机制基于运行场景划分,协调多个新能源站的储能资源。利用合作博弈论,采用遗传优化算法实现SES在各站点充放电功率的最优分配,并利用荷电状态(SOC)和放电深度数据对电池寿命进行评估。案例研究表明,与非共享型联盟相比,共享型联盟运行机制使联盟整体收益增加了12.29%。但在该机制下,各站储能系统的使用寿命分别降低2.42%、1.42%和1.89%。该研究为储能运营商配置合适的储能容量和SOC水平提供了有价值的见解,使他们能够在增加收入的同时快速收回储能投资成本。
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引用次数: 0
In-silico design of metal-ion batteries: Unleashing the potential of conductive polymer functionalized boron nitride nanosheets 金属离子电池的硅片设计:释放导电聚合物功能化氮化硼纳米片的潜力
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120877
Shehu Mohammed , Ismail Abdulazeez , Abdulaziz A. Al-Saadi
Metal-ion batteries are considered among the most promising energy storage technologies owing to their remarkable energy density, efficiency, and cycle stability compared to other types of rechargeable systems. The development of cost-effective, high-voltage, and thermally stable hybrid materials for improved anodic performance can be accelerated by using first-principles calculations. In this study, density functional theory (DFT) simulations were employed to investigate how functionalizing two-dimensional hexagonal boron nitride nanosheets (BNNS) with conducting polymers, specifically poly-para-phenylene (PPPh), can enhance their structural, electronic, and electrochemical properties. A number of electron-withdrawing and electron-releasing substituents were also explored to understand their impact on p-electron delocalization across the polymer's backbone. The functionalization of the boron nitride sheet with the nitro-substituted PPPh resulted in a 63% reduction in the HOMO-LUMO energy gap and a significant cell voltage enhancement, with calculated voltages reaching 3.7 V for Li-, 3.2 V for Na-, 3.1 V for Be, and 6.9 V for Mg-ion batteries. Theoretical specific capacities of 244 and 217 mAh/g were predicted for the investigated LIBs and SIBs, respectively. The functionalized systems maintain a stable structural integrity, competitive thermal stability, and notable ion diffusion characteristics, confirming their potential for high-voltage, durable anode applications.
与其他类型的可充电系统相比,金属离子电池具有显著的能量密度、效率和循环稳定性,被认为是最有前途的储能技术之一。利用第一性原理计算可以加速开发成本效益高、高电压和热稳定的混合材料,以改善阳极性能。在这项研究中,密度泛函理论(DFT)模拟研究了如何功能化二维六方氮化硼纳米片(BNNS)与导电聚合物,特别是聚对苯(PPPh),可以提高其结构,电子和电化学性能。一些吸电子和释放电子的取代基也被探索,以了解它们对聚合物主链上的对电子离域的影响。氮化硼片与硝基取代PPPh的功能化导致HOMO-LUMO能隙减小63%,电池电压显著提高,Li-电池计算电压达到3.7 V, Na-电池达到3.2 V, Be电池达到3.1 V, mg -电池达到6.9 V。理论比容量分别为244 mAh/g和217 mAh/g。功能化系统保持稳定的结构完整性,具有竞争力的热稳定性和显著的离子扩散特性,证实了它们在高压,耐用阳极应用中的潜力。
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引用次数: 0
Theoretical investigation of sodium-decorated B5N3 boron nitride monolayer for hydrogen storage: A DFT study 钠修饰B5N3氮化硼单层储氢膜的理论研究:DFT研究
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120822
Longxin Zhang , Xihao Chen , Rui Zeng , Guiling Su , Junwang Ji , Yuping Hu , José A.S. Laranjeira , Julio R. Sambrano
Amidst the growing challenges of hydrogen storage and transportation, solid-state storage has emerged as a promising alternative. Recent research has highlighted the potential of surface-type interactions with hydrogen fixed on specific substrates, particularly 2D materials, achieving gravimetric capacities exceeding the US Department of Energy’s benchmark of 5.5 wt%. In this study, we investigate the B5N3 monolayer as a highly versatile candidate for energy storage applications. Utilizing density functional theory (DFT) simulations, we explore the effects of sodium (Na) decoration on the B5N3 nanosheet for optimizing hydrogen storage. Our findings reveal a strong bond between the Na atom and the monolayer, characterized by adsorption energy (Eads) of -1.89 eV. Remarkably, the Na@B5N3 system can store up to 6 H2 molecules per primitive cell, translating to an impressive hydrogen storage capacity of 7.80 wt%. Additionally, we demonstrate that H2 interacts through weak physisorption with the substrate, confirming the reversibility of hydrogen storage through molecular dynamics simulations at 300 K, with the majority of H2 molecules released during the simulation. Release temperatures (TR) closely align with ambient conditions. These results position Na@B5N3 as a compelling candidate for next-generation hydrogen storage solutions.
在氢气储存和运输日益增长的挑战中,固态储存已成为一种有前途的替代方案。最近的研究强调了固定在特定基板上的氢与表面型相互作用的潜力,特别是二维材料,实现了超过美国能源部基准5.5 wt%的重量容量。在这项研究中,我们研究了B5N3单层作为一种高度通用的储能应用候选者。利用密度泛函理论(DFT)模拟,研究了钠(Na)修饰对B5N3纳米片储氢性能的影响。我们的发现揭示了Na原子与单层膜之间的强键,其吸附能(Eads)为-1.89 eV。值得注意的是,Na@B5N3系统可以在每个原始细胞中存储多达6个H2分子,转化为令人印象深刻的7.80% wt%的储氢容量。此外,我们证明H2通过弱物理吸附与底物相互作用,通过300 K下的分子动力学模拟证实了氢储存的可逆性,大部分H2分子在模拟过程中释放。释放温度(TR)与环境条件密切一致。这些结果使Na@B5N3成为下一代储氢解决方案的有力候选者。
{"title":"Theoretical investigation of sodium-decorated B5N3 boron nitride monolayer for hydrogen storage: A DFT study","authors":"Longxin Zhang ,&nbsp;Xihao Chen ,&nbsp;Rui Zeng ,&nbsp;Guiling Su ,&nbsp;Junwang Ji ,&nbsp;Yuping Hu ,&nbsp;José A.S. Laranjeira ,&nbsp;Julio R. Sambrano","doi":"10.1016/j.est.2026.120822","DOIUrl":"10.1016/j.est.2026.120822","url":null,"abstract":"<div><div>Amidst the growing challenges of hydrogen storage and transportation, solid-state storage has emerged as a promising alternative. Recent research has highlighted the potential of surface-type interactions with hydrogen fixed on specific substrates, particularly 2D materials, achieving gravimetric capacities exceeding the US Department of Energy’s benchmark of 5.5 wt%. In this study, we investigate the B<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> monolayer as a highly versatile candidate for energy storage applications. Utilizing density functional theory (DFT) simulations, we explore the effects of sodium (Na) decoration on the B<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> nanosheet for optimizing hydrogen storage. Our findings reveal a strong bond between the Na atom and the monolayer, characterized by adsorption energy (E<span><math><msub><mrow></mrow><mrow><mtext>ads</mtext></mrow></msub></math></span>) of -1.89 eV. Remarkably, the Na@B<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> system can store up to 6 H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules per primitive cell, translating to an impressive hydrogen storage capacity of 7.80 wt%. Additionally, we demonstrate that H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> interacts through weak physisorption with the substrate, confirming the reversibility of hydrogen storage through molecular dynamics simulations at 300 K, with the majority of H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules released during the simulation. Release temperatures (T<span><math><msub><mrow></mrow><mrow><mtext>R</mtext></mrow></msub></math></span>) closely align with ambient conditions. These results position Na@B<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> as a compelling candidate for next-generation hydrogen storage solutions.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":"152 ","pages":"Article 120822"},"PeriodicalIF":8.9,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluating densification effects on sulfide-based electrolytes to examine an application in scalable solid-state battery manufacturing 评估硫化物基电解质的致密化效应,以研究其在可扩展固态电池制造中的应用
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2025.120084
Carina Amata Heck , Duc Hien Nguyen , Lars Bröcker , Martin Alexander Lange , Vasiliki Faka , Alexander Diener , Jeff Bastian Wongso Wijaya , Lennart Blume , Wolfgang G. Zeier , Bettina V. Lotsch , Arno Kwade , Peter Michalowski
To make solid-state batteries viable for industrial applications, the resulting electrode or separator layers must fulfill specific requirements, including the mechanical stability and consistent product quality. This study systematically investigates the processability of slurry-based separators comprised of β-Li₃PS₄ (LPS) and hydrogenated nitrile butadiene rubber (HNBR) as binder for uniaxial densification. Fabrication and stack pressure, densification temperature, and layer thickness are taken into account. Key properties such as coating density, adhesion strength, hardness, reduced elastic modulus, ionic conductivity and electrochemical cell performance are evaluated. To reveal the impact of binder, the ionic conductivity was also analyzed for the pure electrolyte powder. Distribution of relaxation times (DRT) analysis was applied. Significant differences in the stress-induced strain in the electrolyte crystal lattice that is assumed to improve the charge transfer were identified for the binder-based separators compared to pure electrolyte powder. Also, the fast elastic recovery after compaction, potential binder migration, and the importance of the sample cell transfer for the interpretation of the measured ionic conductivity were analyzed. The latter is also compared to separators containing Li6PS5Cl (LPSCl). These findings provide fundamental insights into the densification of sulfide-based electrolytes, especially with regard to the role of the binder, which is necessary for scalable battery production.
为了使固态电池在工业应用中可行,所得到的电极或隔膜层必须满足特定的要求,包括机械稳定性和一致的产品质量。本文系统地研究了以β-Li₃PS₄(LPS)和氢化丁腈橡胶(HNBR)为粘结剂的浆料基分离器在单轴致密化中的可加工性。考虑了制备和堆积压力、致密化温度和层厚。对镀层密度、附着强度、硬度、还原弹性模量、离子电导率和电化学电池性能等关键性能进行了评价。为了揭示粘合剂的影响,还分析了纯电解质粉末的离子电导率。采用松弛时间分布(DRT)分析。与纯电解质粉末相比,基于粘合剂的隔膜在电解质晶格中的应力诱导应变有显著差异,这被认为是改善电荷转移的原因。此外,还分析了压实后的快速弹性恢复,潜在的粘合剂迁移以及样品细胞转移对测量离子电导率解释的重要性。后者也与含有Li6PS5Cl (LPSCl)的分离器进行了比较。这些发现为硫化物基电解质的致密化提供了基本的见解,特别是关于粘合剂的作用,这是可扩展电池生产所必需的。
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引用次数: 0
An organic and inorganic composite binder with excellent mechanical property and good ionic conductivity for high performance Si anode of lithium-ion batteries 一种用于锂离子电池高性能硅负极的有机无机复合粘结剂,具有优异的机械性能和良好的离子电导率
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-01-29 DOI: 10.1016/j.est.2026.120607
Lanying He , Lixiang Li , Shuai Wu , Fang Di , Hongwei Zhao , Guangshen Jiang , Chengguo Sun , Baigang An
The theoretical capacity of silicon (Si) is high, which makes it a highly promising anode material for the development of next-generation lithium-ion batteries (LIBs). However, its severe volume variation (>300%) during lithiation/de-lithiation leads to rapid electrochemical failure, impeding its practical deployment. Addressing this challenge, the optimization of binders emerges as a pivotal strategy. Herein, we developed a composite binder, denoted as CCL, by chemically crosslinking carboxymethyl cellulose (CMC) with lithium silicate (LS) using citric acid (CA). This molecular design integrates the rigidity of LS with the flexibility of CMC, yielding a binder with superior mechanical robustness to accommodate the cyclic strain of Si particles. Furthermore, the CCL binder exhibits strong adhesion to the Si surface through interactions between the SiO groups in CCL and the silanol (Si-OH) groups on Si. This coupled with the excellent film-forming ability of CMC, ensures electrode integrity. Concurrently, oxygen ions derived from LS enhance lithium-ion transport, thereby improving rate capability. The CCL binder also contributes to a more stable solid electrolyte interphase (SEI) by mitigating parasitic reactions. As a result, the Si/CCL anode delivered exceptional long-term cycling stability, retaining a high reversible capacity of 1192 mAh g−1 after 500 cycles at 2.0 A g−1. The superior mechanical and ionic transport properties of CCL also proved advantageous in all-solid-state LIBs, where the anode demonstrated a discharge capacity of 1617.4 mAh g−1 at 1.0 A g−1 after 100 cycles at 25 °C. These findings underscore the significant potential of the CCL binder for practical Si anodes and offer a valuable design strategy for future binder systems.
硅(Si)的理论容量很高,是开发下一代锂离子电池(LIBs)极有前途的负极材料。然而,在锂化/去锂化过程中,其剧烈的体积变化(>300%)导致了快速的电化学失效,阻碍了其实际应用。为了应对这一挑战,粘合剂的优化成为关键策略。本文采用柠檬酸(CA)将羧甲基纤维素(CMC)与硅酸锂(LS)进行化学交联,制备了一种复合粘结剂CCL。这种分子设计结合了LS的刚性和CMC的柔韧性,产生了一种具有优越机械坚固性的粘合剂,以适应Si颗粒的循环应变。此外,通过CCL中的SiO基团与Si上的硅烷醇(Si- oh)基团之间的相互作用,CCL粘结剂与Si表面表现出很强的粘附性。这与CMC优异的成膜能力相结合,确保了电极的完整性。同时,LS衍生的氧离子增强了锂离子的输运,从而提高了速率能力。CCL粘结剂也有助于通过减轻寄生反应更稳定的固体电解质间相(SEI)。因此,Si/CCL阳极提供了出色的长期循环稳定性,在2.0 a g−1下循环500次后保持1192 mAh g−1的高可逆容量。CCL优越的机械和离子传输性能在全固态锂电池中也被证明是有利的,在25°C下100次循环后,阳极在1.0 ag−1下的放电容量为1617.4 mAh g−1。这些发现强调了CCL粘结剂在实际硅阳极中的巨大潜力,并为未来的粘结剂系统提供了有价值的设计策略。
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Journal of energy storage
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