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Hybrid Co(II) coordination polymer/CNT/GO electrodes for high energy asymmetric supercapacitor Co(II)配位聚合物/碳纳米管/氧化石墨烯复合电极用于高能非对称超级电容器
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-05 DOI: 10.1016/j.est.2026.120709
Arif Ali, Khusboo Kumari, Anupama Joy, Fatma Parween, Mst Shubnur Sultana, Ganesh Chandra Nayak
Two-dimensional (2D) coordination polymers (CPs) have attracted significant attention in electrochemical energy storage because their layered architectures promote strong interfacial interactions with 1D and 2D carbon materials. Nevertheless, CPs often suffer from limited specific capacitance and poor structural stability. Integrating conductive carbon components can effectively overcome these drawbacks by leveraging synergistic effects to enhance overall charge storage capability. Herein, we report the solvothermal synthesis of a Co(II)-based coordination polymer, [Co(PDA)(H₂O)] (namely, MCo). The structure of MCo was elucidated by single-crystal X-ray diffraction (SC-XRD), revealing an hcb-type underlying net topology. Composite materials were subsequently fabricated by integrating MCo with multi-walled carbon nanotubes (MWCNTs) and graphene oxide (GO), designated as MCo/CNT and MCo/GO, respectively. The morphology and chemical composition of the resulting composites were characterized by FESEM, HR-TEM, and XPS analysis. Electrochemical analysis of symmetric supercapacitor (SSC) and asymmetric supercapacitor (ASC) devices showed that the ASC device has better specific capacitance (Sp.CP.). The specific capacitance of MCo, MCo/CNT 100, and MCo/GO 20 was calculated to be 14.54, 287.13, and 373.12 F g−1 at 0.5 A g−1 current density, respectively. The energy density and power density of MCo/GO 20 were calculated to be 132.6 Wh kg−1 and 400 W kg−1 at 0.5 A g−1. The ASC device retained 68% capacitance after completion of 10,000 cycles of charging-discharging, demonstrating good cyclic stability. Furthermore, power-law analysis indicated a predominantly electric double-layer capacitance (EDLC) behavior with b-values ranging between 0.5 and 1. For practical demonstration, the ASC device successfully powered red, multicolor disco, and white LEDs, maintaining illumination for 120 s after a charging of 60 s. Additionally, an ASC flexible MCo/GO 20 device under PVA/KOH gel electrolyte showed sp. cp. of 461.03 F g−1 and energy density of 164.02 Wh kg−1 at a current density of 0.5 A g−1 with a capacitance retention of 87% at a current density of 6 A g−1, after 5000th charge-discharge cycles. These results highlight the potential of MCo/GO 20 composites as a promising electrode material for next-generation supercapacitor application.
二维配位聚合物(CPs)由于其层状结构促进了与一维和二维碳材料的强界面相互作用,在电化学储能领域受到了广泛的关注。然而,CPs通常存在比电容有限和结构稳定性差的问题。集成导电碳组件可以有效地克服这些缺点,利用协同效应来提高整体电荷存储能力。本文报道了一种Co(II)基配位聚合物[Co(PDA)(H₂O)]的溶剂热合成方法。用单晶x射线衍射(SC-XRD)分析了MCo的结构,发现其底层为hcb型网状结构。随后,将MCo与多壁碳纳米管(MWCNTs)和氧化石墨烯(GO)结合,分别称为MCo/CNT和MCo/GO,制备复合材料。通过FESEM、HR-TEM和XPS对复合材料的形貌和化学成分进行了表征。对对称超级电容器(SSC)和非对称超级电容器(ASC)器件的电化学分析表明,ASC器件具有更好的比电容(Sp.CP.)。在0.5 A g−1电流密度下,MCo、MCo/ cnt100和MCo/GO 20的比电容分别为14.54、287.13和373.12 F g−1。在0.5 A g−1时,MCo/GO 20的能量密度和功率密度分别为132.6 Wh kg−1和400 W kg−1。在完成10,000次 充放电循环后,ASC器件保持了68%的电容,表现出良好的循环稳定性。此外,幂律分析表明,双电层电容(EDLC)主要表现为b值在0.5 ~ 1之间。作为实际演示,ASC设备成功地为红色、多色迪斯科和白色led供电,在充电60 秒后保持120 秒的照明。此外,在PVA/KOH凝胶电解质下,ASC柔性MCo/GO 20器件在0.5 a g−1电流密度下的sp. cp值为461.03 F g−1,能量密度为164.02 Wh kg−1,在6 a g−1电流密度下,经过5000次充放电循环后的电容保持率为87%。这些结果突出了MCo/GO 20复合材料作为下一代超级电容器电极材料的潜力。
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引用次数: 0
Thermal performance enhancement of a building using nano enhanced phase change materials (PCMs) and metallic fins 利用纳米增强相变材料(PCMs)和金属翅片增强建筑物的热性能
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120886
Said M.A. Ibrahim , Abdelrahman A. Shaheen
Improving building energy efficiency in hot arid climates remains a critical challenge for sustainable development. This study investigates the thermal performance optimization of a residential building in Cairo, Egypt, by integrating phase change materials (PCMs) with advanced enhancement techniques. Using Design Builder for dynamic simulations, the research evaluates various configurations: a baseline building, pure PCM integration, nano enhanced PCMs (NePCM) using Al₂O₃, CuO, and silica aerogel, metallic fins (aluminum and copper), and hybrid NePCM fin systems. The results indicate that the baseline building's annual energy demand of 211.64kWh/m2 was reduced by 17.3% through PCM integration alone. Among NePCMs, silica aerogel at 3 vol% achieved only marginal improvement (174.53 kWh/m2), while Al₂O₃ and CuO nanoparticles increased energy consumption. Conversely, fin-assisted PCMs provided superior results; 1 mm copper fins reduced annual demand to 150.99kWh/m2, a 28.7% saving over the baseline. Analysis of peak summer day loads revealed that PCM integration achieved a 29.6% reduction in peak demand, with copper fins maintaining a stable operative temperature of 26.5 °C and significantly enhancing indoor thermal comfort by improving the Predicted Mean Vote (PMV). The hybrid system (NePCM with copper fins) yielded the maximum energy saving of 28.8% (150.69kWh/m2). The study concludes that thin copper fins are more effective and practical than nanoparticles for energy reduction and peak shaving in hot arid regions, offering a robust solution for improving cooling efficiency and indoor climate stability.
提高炎热干旱气候下的建筑能效仍然是可持续发展面临的重大挑战。本研究通过将相变材料(PCMs)与先进的增强技术相结合,研究了埃及开罗一座住宅建筑的热性能优化。该研究使用Design Builder进行动态模拟,评估了各种配置:基线建筑、纯PCM集成、使用Al₂O₃、CuO和二氧化硅气凝胶的纳米增强PCM (NePCM)、金属鳍(铝和铜)和混合NePCM鳍系统。结果表明,仅通过PCM集成,基线建筑的年能源需求211.64kWh/m2就减少了17.3%。在nepcm中,3 vol%的二氧化硅气凝胶仅取得了边际改善(174.53 kWh/m2),而Al₂O₃和CuO纳米颗粒增加了能量消耗。相反,鳍辅助PCMs提供了更好的结果;1毫米铜翅片将年需求量减少到150.99千瓦时/平方米,比基线节省28.7%。对夏季高峰日负荷的分析表明,PCM集成使峰值需求减少了29.6%,铜翅片保持了26.5°C的稳定工作温度,并通过提高预测平均投票(PMV)显著提高了室内热舒适性。混合动力系统(带铜翅片的NePCM)最大节能28.8% (150.69kWh/m2)。该研究得出结论,在炎热干旱地区,薄铜翅片在节能和调峰方面比纳米颗粒更有效和实用,为提高冷却效率和室内气候稳定性提供了一个强有力的解决方案。
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引用次数: 0
A self-actuating internal stirring mechanism to maintain dispersion uniformity in paraffin/carbon nanotube phase change composites 一种保持石蜡/碳纳米管相变复合材料分散均匀性的自驱动内搅拌机制
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120891
Yinfeng Xia , Takushi Saito
Paraffin-based Phase Change Materials (PCMs) are promising candidates for Thermal Energy Storage (TES) systems, but their low thermal conductivity is often a significant drawback. While the addition of high-conductivity nanoparticles like Carbon Nanotubes (CNTs) can address this, long-term performance can be compromised as CNTs agglomerate and separate from the paraffin matrix over repeated thermal cycles. This degradation is driven by fundamental solidification phenomena such as particle pushing, which leads to a breakdown of the conductive nanoparticle network. To address this, we developed a novel self-actuating internal stirring mechanism that maintains dispersion uniformity without external power. Leveraging the volumetric expansion of the PCM itself (the “wax motor” principle), the device autonomously converts thermal energy into rotational mixing during the melting phase. A Computational Fluid Dynamics (CFD)-optimized Sawtooth impeller was engineered to generate high local shear rates (>140 s−1) sufficient to initiate CNT deagglomeration. Experimental validation over 50 thermal cycles demonstrated that the active stirring effectively suppressed phase separation. From the 128.7% initial improvement over pure paraffin, the stirred composite retained ∼90% of its initial thermal conductivity (0.391 W/(m·K)), significantly outperforming the unstirred control which degraded by 26% (0.334 W/(m·K)). This work establishes a successful proof-of-concept for a semi-active stabilization strategy to overcome the long-term reliability barriers in latent heat storage systems.
石蜡基相变材料(PCMs)是热能存储(TES)系统的有前途的候选者,但其低导热性往往是一个重大的缺点。虽然添加高导电性纳米颗粒(如碳纳米管)可以解决这个问题,但长期性能可能会受到影响,因为碳纳米管会在重复的热循环中与石蜡基体团聚和分离。这种退化是由基本的凝固现象驱动的,比如粒子推动,这会导致导电纳米粒子网络的破坏。为了解决这个问题,我们开发了一种新的自驱动内部搅拌机构,无需外部动力即可保持分散均匀性。利用PCM本身的体积膨胀(“蜡马达”原理),该装置在熔化阶段自动将热能转化为旋转混合。计算流体动力学(CFD)优化的锯齿形叶轮能够产生高的局部剪切速率(>140 s−1),足以启动碳纳米管脱团聚。50多个热循环的实验验证表明,主动搅拌有效地抑制了相分离。与纯石蜡相比,经过搅拌的复合材料的初始导热系数提高了128.7%,保持了约90%的初始导热系数(0.391 W/(m·K)),显著优于未搅拌的对照组,后者的导热系数下降了26% (0.334 W/(m·K))。这项工作为半主动稳定策略建立了一个成功的概念验证,以克服潜热储存系统的长期可靠性障碍。
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引用次数: 0
Lamellar graphene oxide stabilizes spinel LiMn2O4 cathode structure for high-temperature longevity 层状氧化石墨烯稳定尖晶石LiMn2O4阴极结构,提高高温寿命
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120767
Xiaowei Shi , Bihe Liu , Bonan Tan , Qing Chen , Lei Li , Yane Gao
Spinel LiMn2O4 (LMO) suffers from quick capacity decay, which hampers its practical application in lithium-ion batteries. Engineering LMO cathode structure is a solution to improve its cycling stability. Here, we experimentally realize lamellar additives of graphene oxide (GO) reinforced LMO cathode structure prolongs the cycling stability of LMO at high temperature of 45 °C. The experimental and theoretical results prove that GO induces the α-to-β phase transformation of polyvinylidene fluoride (PVDF) binder. This enhances its dielectric constant and storage modulus. GO increases LMO particles and Al current collector adhesion via strong adsorption between GO functional groups and Al surface Al2O3 (OH). GO also works as a barrier to prevent HF etching LMO and Mn2+ dissolution into electrolyte. Their synergetic improves the cycling stability of LMO with high capacity retention of >84.1% compared to LMO/PVDF (77.7%) at 1C after 200 cycles at 45 °C. This study is beneficial for the design of cathode additives to improve the electrochemical performance of cathode.
尖晶石LiMn2O4 (LMO)容量衰减快,阻碍了其在锂离子电池中的实际应用。工程化LMO阴极结构是提高其循环稳定性的一种解决方案。本文通过实验实现了氧化石墨烯(GO)层状添加剂增强LMO阴极结构,延长了LMO在45℃高温下的循环稳定性。实验和理论结果证明,氧化石墨烯诱导聚偏氟乙烯(PVDF)粘结剂发生α-to-β相变。这提高了它的介电常数和存储模量。氧化石墨烯通过氧化石墨烯官能团与Al表面Al2O3 (OH)之间的强吸附增强了LMO颗粒和Al集流器的粘附性。氧化石墨烯还可以作为一种屏障,防止HF腐蚀LMO和Mn2+溶解到电解质中。它们的协同作用提高了LMO的循环稳定性,与LMO/PVDF(77.7%)相比,在45°C下循环200次后,LMO在1C下的容量保留率为84.1%。该研究有助于阴极添加剂的设计,提高阴极的电化学性能。
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引用次数: 0
Starburst macromonomers with carbazole arms: From electropolymerization to electrochromic prototypes with energy storage capability 具有咔唑臂的星爆大单体:从电聚合到具有储能能力的电致变色原型
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120901
Radu-Dan Rusu, Ioana-Alexandra Trofin, Mariana-Dana Damaceanu, Catalin-Paul Constantin
This study follows three directions in developing smart materials with electrochromic and energy storage functions: effective macromolecular blueprint, viable electropolymerization processing, and the design-prototype pathway. A fully conjugated macromonomer with an aryl focal point and three carbazole branches was used as the main core for two dendrimer-like macromonomers with amide-linked carbazole or triphenylamine arms. Their electropolymerization rendered defect-free polymeric films with a granular surface. Systematic connections between structural variations and the optical, electronic, morphological, and electrochemical conduct were established. The electrochromic activity and stability, coloration efficiency, charge-discharge patterns, specific areal capacitance, and electron-transfer processes highly depend on external building blocks, conjugation type, and films' topography and topology. A laboratory-scale prototype using the most balanced polymer showed reliable electrochromic performance: 0.41 s for coloration, 3.82 s for bleaching, 31.33% maximum optical contrast, 125 cm2 C−1 coloring efficiency, and 25% efficiency decay after 100 cycles. The same prototype acted as a hybrid-type pseudocapacitor and delivered convincing energy storage outcome: 0.62 mF cm−2 (GCD, 10 μA cm−2, relatively stable at higher current density) areal capacitance, 98.2% Coulombic efficiency, 1453 μW cm−2 power density, 542 μWh cm−2 energy density, 7.14% capacitance decay after 500 cycles, and a 0.34 S cm−1 conductivity.
本研究在开发具有电致变色和储能功能的智能材料方面遵循三个方向:有效的大分子蓝图、可行的电聚合工艺和设计-原型途径。一个具有芳基焦点和三个咔唑分支的完全共轭大单体被用作两个具有酰胺连接咔唑或三苯胺臂的树状大单体的主核。它们的电聚合使无缺陷的聚合物薄膜具有颗粒状表面。结构变化与光学、电子、形态和电化学行为之间建立了系统的联系。电致变色活性和稳定性、着色效率、充放电模式、比面积电容和电子转移过程高度依赖于外部构建块、共轭类型和薄膜的形貌和拓扑结构。使用最平衡聚合物的实验室规模原型显示出可靠的电致变色性能:着色0.41 s,漂白3.82 s,最大光学对比度31.33%,125 cm2 C−1着色效率,100次循环后效率衰减25%。同样的原型作为混合型伪电容器,并提供了令人信服的储能结果:0.62 mF cm−2 (GCD, 10 μA cm−2,在高电流密度下相对稳定)面电容,98.2%的库仑效率,1453 μW cm−2功率密度,542 μWh cm−2能量密度,500次循环后7.14%的电容衰减和0.34 S cm−1电导率。
{"title":"Starburst macromonomers with carbazole arms: From electropolymerization to electrochromic prototypes with energy storage capability","authors":"Radu-Dan Rusu,&nbsp;Ioana-Alexandra Trofin,&nbsp;Mariana-Dana Damaceanu,&nbsp;Catalin-Paul Constantin","doi":"10.1016/j.est.2026.120901","DOIUrl":"10.1016/j.est.2026.120901","url":null,"abstract":"<div><div>This study follows three directions in developing smart materials with electrochromic and energy storage functions: effective macromolecular blueprint, viable electropolymerization processing, and the design-prototype pathway. A fully conjugated macromonomer with an aryl focal point and three carbazole branches was used as the main core for two dendrimer-like macromonomers with amide-linked carbazole or triphenylamine arms. Their electropolymerization rendered defect-free polymeric films with a granular surface. Systematic connections between structural variations and the optical, electronic, morphological, and electrochemical conduct were established. The electrochromic activity and stability, coloration efficiency, charge-discharge patterns, specific areal capacitance, and electron-transfer processes highly depend on external building blocks, conjugation type, and films' topography and topology. A laboratory-scale prototype using the most balanced polymer showed reliable electrochromic performance: 0.41 s for coloration, 3.82 s for bleaching, 31.33% maximum optical contrast, 125 cm<sup>2</sup> C<sup>−1</sup> coloring efficiency, and 25% efficiency decay after 100 cycles. The same prototype acted as a hybrid-type pseudocapacitor and delivered convincing energy storage outcome: 0.62 mF cm<sup>−2</sup> (GCD, 10 μA cm<sup>−2</sup>, relatively stable at higher current density) areal capacitance, 98.2% Coulombic efficiency, 1453 μW cm<sup>−2</sup> power density, 542 μWh cm<sup>−2</sup> energy density, 7.14% capacitance decay after 500 cycles, and a 0.34 S cm<sup>−1</sup> conductivity.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":"153 ","pages":"Article 120901"},"PeriodicalIF":8.9,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098554","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
Synergistic enhancement of mechanical robustness and ion transport via internal coordination for all-solid-state zinc batteries 全固态锌电池内部协同增强机械稳健性和离子输运
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120870
Nuo Shi, Zhihao Deng, Siyi Li, Yuqin Su, Wenjun Wu
To address issues inherent to aqueous zinc-ion batteries—such as electrolyte leakage, dendrite formation, and limited cycling stability—developing solid polymer electrolytes (SPEs) that combine efficient Zn2+ transport with robust mechanical toughness remains a key challenge for all-solid-state zinc-ion batteries. In this work, l-serine was successfully incorporated into a polyethylene oxide/polyvinylidene difluoride (PEO/PVDF)-based electrolyte by reducing polymer crystallinity, enhancing interfacial coordination between functional groups and Zn2+, and improving the Zn deposition/stripping behavior. This strategy not only establishes rapid ion transport pathways, delivering a high ionic conductivity of 1.02 × 10−4 S cm−1 and a transference number of 0.56 at room temperature, but also enables the Zn||MnO2 device to achieve a high initial specific capacity of 120 mA h g−1 at 0.1 A g−1 with excellent rate capability. Moreover, a stable Zn deposition/stripping process was sustained for over 1400 h at 0.1 mA cm−2. By integrating molecular design with interfacial engineering, this study delivers transformative insights that may redefine electrolyte development for all-solid-state zinc-ion batteries.
为了解决水性锌离子电池固有的问题,如电解质泄漏、枝晶形成和有限的循环稳定性,开发固体聚合物电解质(spe),将高效的Zn2+传输与强大的机械韧性结合起来,仍然是全固态锌离子电池的关键挑战。在本研究中,l-丝氨酸通过降低聚合物结晶度,增强官能团与Zn2+之间的界面配位,以及改善锌的沉积/剥离行为,成功地加入到聚氧乙烯/聚偏氟乙烯(PEO/PVDF)基电解质中。该策略不仅建立了快速离子传输途径,在室温下提供了1.02 × 10−4 S cm−1的高离子电导率和0.56的转移数,而且使Zn||MnO2器件在0.1 a g−1下实现了120 mA h g−1的高初始比容量,具有优异的速率能力。此外,在0.1 mA cm−2下,锌沉积/剥离过程持续了1400小时以上。通过将分子设计与界面工程相结合,这项研究提供了革命性的见解,可能会重新定义全固态锌离子电池的电解质开发。
{"title":"Synergistic enhancement of mechanical robustness and ion transport via internal coordination for all-solid-state zinc batteries","authors":"Nuo Shi,&nbsp;Zhihao Deng,&nbsp;Siyi Li,&nbsp;Yuqin Su,&nbsp;Wenjun Wu","doi":"10.1016/j.est.2026.120870","DOIUrl":"10.1016/j.est.2026.120870","url":null,"abstract":"<div><div>To address issues inherent to aqueous zinc-ion batteries—such as electrolyte leakage, dendrite formation, and limited cycling stability—developing solid polymer electrolytes (SPEs) that combine efficient Zn<sup>2+</sup> transport with robust mechanical toughness remains a key challenge for all-solid-state zinc-ion batteries. In this work, <span>l</span>-serine was successfully incorporated into a polyethylene oxide/polyvinylidene difluoride (PEO/PVDF)-based electrolyte by reducing polymer crystallinity, enhancing interfacial coordination between functional groups and Zn<sup>2+</sup>, and improving the Zn deposition/stripping behavior. This strategy not only establishes rapid ion transport pathways, delivering a high ionic conductivity of 1.02 × 10<sup>−4</sup> S cm<sup>−1</sup> and a transference number of 0.56 at room temperature, but also enables the Zn||MnO<sub>2</sub> device to achieve a high initial specific capacity of 120 mA h g<sup>−1</sup> at 0.1 A g<sup>−1</sup> with excellent rate capability. Moreover, a stable Zn deposition/stripping process was sustained for over 1400 h at 0.1 mA cm<sup>−2</sup>. By integrating molecular design with interfacial engineering, this study delivers transformative insights that may redefine electrolyte development for all-solid-state zinc-ion batteries.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":"153 ","pages":"Article 120870"},"PeriodicalIF":8.9,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098556","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
The C6N2 monolayer as a universal anode for lithium/sodium/potassium-ion batteries: A first-principles study C6N2单层作为锂/钠/钾离子电池的通用阳极:第一性原理研究
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120902
Ruotong Gao , Haoxiang Zhang , Hai Wu , XingKao Zhang , Hanqing Li , Xiangjie Fu , Hongying Hou , Ju Rong , Xiaohua Yu
Two-dimensional(2D) carbon‑nitrogen materials have emerged as promising candidates for anode materials in metal-ion batteries (MIBs) due to their exceptional electrical conductivity and structural stability. This paper employs first-principles calculations to systematically investigate the performance of C6N2 in Li+/Na+/K+ batteries. Results indicate that the monolayer C6N2 has an optimal electronic structure with excellent conductivity. Li+, Na+, and K+ also exhibit high adsorption energies, providing stable adsorption sites that enhance cycling stability. Analysis of C6N2's ionic diffusion properties revealed a low diffusion energy barrier, supporting efficient performance during rapid charge-discharge cycles. Further theoretical calculations indicate that C6N2 exhibits theoretical specific capacities for Li+/Na+/K+ as high as 1596 mAh/g, 1197 mAh/g, and 997 mAh/g respectively, significantly surpassing many conventional anode materials. Furthermore, it exhibits minimal open-circuit voltage (OCV) variation, meeting the requirements for stable battery operation. Overall, the outstanding electrochemical performance and structural characteristics of C6N2 confer broad application prospects for it in metal-intercalation batteries.
二维(2D)碳氮材料由于其优异的导电性和结构稳定性,已成为金属离子电池(MIBs)阳极材料的有希望的候选者。本文采用第一性原理计算方法系统地研究了C6N2在Li+/Na+/K+电池中的性能。结果表明,单层C6N2具有最佳的电子结构和优异的导电性。Li+、Na+和K+也表现出较高的吸附能,提供了稳定的吸附位点,增强了循环稳定性。对C6N2离子扩散特性的分析表明,C6N2具有较低的扩散能垒,在快速充放电循环中具有高效的性能。进一步的理论计算表明,C6N2对Li+/Na+/K+的理论比容量分别高达1596 mAh/g、1197 mAh/g和997 mAh/g,大大超过了许多传统的阳极材料。此外,它具有最小的开路电压(OCV)变化,满足电池稳定运行的要求。综上所述,C6N2优异的电化学性能和结构特点使其在金属嵌入电池中具有广阔的应用前景。
{"title":"The C6N2 monolayer as a universal anode for lithium/sodium/potassium-ion batteries: A first-principles study","authors":"Ruotong Gao ,&nbsp;Haoxiang Zhang ,&nbsp;Hai Wu ,&nbsp;XingKao Zhang ,&nbsp;Hanqing Li ,&nbsp;Xiangjie Fu ,&nbsp;Hongying Hou ,&nbsp;Ju Rong ,&nbsp;Xiaohua Yu","doi":"10.1016/j.est.2026.120902","DOIUrl":"10.1016/j.est.2026.120902","url":null,"abstract":"<div><div>Two-dimensional(2D) carbon‑nitrogen materials have emerged as promising candidates for anode materials in metal-ion batteries (MIBs) due to their exceptional electrical conductivity and structural stability. This paper employs first-principles calculations to systematically investigate the performance of C<sub>6</sub>N<sub>2</sub> in Li<sup>+</sup>/Na<sup>+</sup>/K<sup>+</sup> batteries. Results indicate that the monolayer C6N2 has an optimal electronic structure with excellent conductivity. Li+, Na+, and K+ also exhibit high adsorption energies, providing stable adsorption sites that enhance cycling stability. Analysis of C<sub>6</sub>N<sub>2</sub>'s ionic diffusion properties revealed a low diffusion energy barrier, supporting efficient performance during rapid charge-discharge cycles. Further theoretical calculations indicate that C<sub>6</sub>N<sub>2</sub> exhibits theoretical specific capacities for Li<sup>+</sup>/Na<sup>+</sup>/K<sup>+</sup> as high as 1596 mAh/g, 1197 mAh/g, and 997 mAh/g respectively, significantly surpassing many conventional anode materials. Furthermore, it exhibits minimal open-circuit voltage (OCV) variation, meeting the requirements for stable battery operation. Overall, the outstanding electrochemical performance and structural characteristics of C<sub>6</sub>N<sub>2</sub> confer broad application prospects for it in metal-intercalation batteries.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":"153 ","pages":"Article 120902"},"PeriodicalIF":8.9,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098538","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
Direct regeneration of spent LiFePO4 cathode using a reduction agent of natural amino acid 用天然氨基酸还原剂直接再生废LiFePO4正极
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120841
Siman Yang , Zongnan Li , Yao Huang , Mingwei Hu , Ting Yang , Qiaohua Wei , Longyuan Guo , Mingdeng Wei
In recent years, the recycling of spent lithium iron phosphate (LFP) batteries has garnered significant attention as an important strategy to alleviate resource scarcity and advance resource circularity. Among different recycling technologies for spent LFP batteries, emerging direct regeneration technology represents a sustainable recycling approach capable of restoring LFP cathode materials without compromising their olivine crystal structure. In our study, we proposed an environmentally friendly and efficient one-step hydrothermal regeneration strategy to achieve synergistic structural and functional restoration of spent LFP in the presence of lithium supplement. Lithium hydroxide (LiOH) serves as the lithium precursor, with the natural amino acid l-serine (C3H7NO3) used as a green reducing agent. The primary alcohol group of l-serine can provide a reducing environment, enabling the reduction of Fe3+ ions and alleviating the Li-Fe inversion defect. Concurrently, nitrogen atoms from the amino group of l-serine were incorporated into the carbon coating, enhancing the electrochemical performance of the material. Consequently, the regenerated LFP exhibited exceptional electrochemical property and outstanding cycling stability. The specific discharge capacity reached 140.6 mAh g−1 at 1C rate, demonstrating 86.13% capacity retention over 1000 cycles. Crucially, the material maintains a capacity retention of 84.44% over 1000 cycles even at a high rate of 5C. Such a strategy can effectively regenerate LFP cathode with a restored superior electrochemical property, offering a viable pathway for scalable recycling of spent LFP in the future.
近年来,废旧磷酸铁锂(LFP)电池的回收利用作为缓解资源短缺和促进资源循环的重要策略受到了广泛关注。在废LFP电池的各种回收技术中,新兴的直接再生技术代表了一种可持续的回收方法,能够在不损害其橄榄石晶体结构的情况下恢复LFP正极材料。在我们的研究中,我们提出了一种环保高效的一步水热再生策略,以实现废LFP在补充锂的情况下结构和功能的协同恢复。以氢氧化锂(LiOH)为锂前体,天然氨基酸l-丝氨酸(C3H7NO3)为绿色还原剂。l-丝氨酸的伯醇基团可以提供还原环境,使Fe3+离子还原,缓解Li-Fe倒置缺陷。同时,l-丝氨酸氨基的氮原子被加入到碳涂层中,提高了材料的电化学性能。结果表明,再生的LFP具有优异的电化学性能和循环稳定性。在1C倍率下,比放电容量达到140.6 mAh g−1,在1000次循环中,容量保持率为86.13%。至关重要的是,即使在5C的高倍率下,该材料也能在1000次循环中保持84.44%的容量保持率。该策略可以有效地再生LFP阴极,并恢复其优越的电化学性能,为未来大规模回收废LFP提供了可行的途径。
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引用次数: 0
Multi-agent hierarchical consensus framework for frequency and voltage regulation with cooperative battery storage units 基于多智能体的协同电池存储单元频率和电压调节层次共识框架
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120955
Gabriel E. Mejia-Ruiz , Vipin Chandra Pandey , Martha Lucia Orozco-Gutierrez
High penetration of renewable resources reduces inertia and short-circuit strength in transmission networks. This loss of electromechanical stiffness directly compromises the ability of the system to withstand power imbalances. This paper proposes a hierarchical multi-agent control framework to coordinate distributed battery energy storage. The architecture integrates a fast local layer for sub-second voltage support and primary frequency response. A secondary layer employs dual-consensus algorithms to harmonize the state of charge and historical regulation effort over a communication graph. The adaptive active-power reference is computed through a multiplicative formulation. This law couples frequency deviation, area control error, and available capacity while strictly enforcing apparent-power constraints. Thus, the controller ensures capacity-aware dispatch, prevents overcompensation, and preserves P/Q limits. Validation was conducted on a modified IEEE 14-bus system with 47.8% non-synchronous generation. Scenarios included a 204% load step, a 25% renewable surge, and a three-phase fault. Results demonstrate enhanced scalability and resilience. For operational (non-fault) events, frequency deviations remain within ±0.08% and return to the NERC 2036mHz band within 2 s. Furthermore, bus voltages satisfy IEEE Std C84.1 limits (0.951.05pu), while state-of-charge dispersion falls below 0.05pu.
可再生资源的高度渗透减少了输电网络的惯性和短路强度。这种机电刚度的损失直接损害了系统承受功率不平衡的能力。提出了一种分层多智能体控制框架来协调分布式电池储能系统。该架构集成了用于亚秒电压支持和主频率响应的快速本地层。第二层采用双共识算法来协调通信图上的收费状态和历史监管工作。通过乘法公式计算自适应有功基准。该定律将频率偏差、区域控制误差和可用容量耦合在一起,同时严格执行明显的功率约束。因此,控制器保证了容量感知调度,防止了过度补偿,并保持了P/Q限制。在改进的IEEE 14总线系统上进行了验证,非同步发电量为47.8%。场景包括204%负载步进、25%可再生浪涌和三相故障。结果显示增强了可伸缩性和弹性。对于操作(非故障)事件,频率偏差保持在≤±0.08%,并在2s内恢复到NERC 20-36mHz频段。此外,母线电压满足IEEE标准C84.1限值(0.95-1.05pu),而电荷状态色散低于0.05pu。
{"title":"Multi-agent hierarchical consensus framework for frequency and voltage regulation with cooperative battery storage units","authors":"Gabriel E. Mejia-Ruiz ,&nbsp;Vipin Chandra Pandey ,&nbsp;Martha Lucia Orozco-Gutierrez","doi":"10.1016/j.est.2026.120955","DOIUrl":"10.1016/j.est.2026.120955","url":null,"abstract":"<div><div>High penetration of renewable resources reduces inertia and short-circuit strength in transmission networks. This loss of electromechanical stiffness directly compromises the ability of the system to withstand power imbalances. This paper proposes a hierarchical multi-agent control framework to coordinate distributed battery energy storage. The architecture integrates a fast local layer for sub-second voltage support and primary frequency response. A secondary layer employs dual-consensus algorithms to harmonize the state of charge and historical regulation effort over a communication graph. The adaptive active-power reference is computed through a multiplicative formulation. This law couples frequency deviation, area control error, and available capacity while strictly enforcing apparent-power constraints. Thus, the controller ensures capacity-aware dispatch, prevents overcompensation, and preserves <span><math><mrow><mi>P</mi><mo>/</mo><mi>Q</mi></mrow></math></span> limits. Validation was conducted on a modified IEEE 14-bus system with 47.8% non-synchronous generation. Scenarios included a 204% load step, a 25% renewable surge, and a three-phase fault. Results demonstrate enhanced scalability and resilience. For operational (non-fault) events, frequency deviations remain within <span><math><mrow><mo>≤</mo><mo>±</mo><mn>0</mn><mo>.</mo><mn>08</mn><mtext>%</mtext></mrow></math></span> and return to the NERC <span><math><mrow><mn>20</mn><mtext>–</mtext><mn>36</mn><mspace></mspace><mi>mHz</mi></mrow></math></span> band within 2<!--> <!-->s. Furthermore, bus voltages satisfy IEEE Std C84.1 limits (<span><math><mrow><mn>0</mn><mo>.</mo><mn>95</mn><mtext>–</mtext><mn>1</mn><mo>.</mo><mn>05</mn><mspace></mspace><mi>pu</mi></mrow></math></span>), while state-of-charge dispersion falls below <span><math><mrow><mn>0</mn><mo>.</mo><mn>05</mn><mspace></mspace><mi>pu</mi></mrow></math></span>.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":"153 ","pages":"Article 120955"},"PeriodicalIF":8.9,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098557","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
Numerical study on the thermal management performance of square lithium-ion batteries with symmetric double-spiral liquid cooling coupled with composite phase change material 对称双螺旋液冷耦合复合相变材料方形锂离子电池热管理性能的数值研究
IF 8.9 2区 工程技术 Q1 ENERGY & FUELS Pub Date : 2026-02-03 DOI: 10.1016/j.est.2026.120835
Zhuoling Qi , Bo Yang , Jilin Lei
A comprehensive numerical investigation on the thermal management challenges of lithium-ion battery modules under high-power operating conditions was conducted in this study. A novel hybrid system was developed through the integration of symmetric double-spiral liquid cooling plates with embedded vortex generators and composite phase change material (CPCM). The computational model was rigorously validated against experimental data, ensuring the reliability of the simulation results. The influence of vortex generator geometric parameters (cross-sectional shape, spacing) and CPCM thickness on battery temperature distribution were systematically investigated. Through the computational fluid dynamics (CFD) simulations, the thermal performance of circular, square and triangular vortex generators was comparatively analyzed under flow velocities ranging from 0.1 to 0.5 m/s. Results demonstrated that the lowest peak battery temperature (Tmax) and average temperature (Tave) of the square lithium-ion batteries were obtained with the triangular vortex generators used in the liquid cooling plates, which had the highest pressure drop at the inlet and outlet in the flow channel. Circular vortex generators exhibit the best comprehensive performance with consideration of heat transfer performance and pressure drop at medium-high flow velocities. Tmax, Tave, and maximum temperature difference (ΔTmax) were increased with the increase of vortex generator spacing, which were due to the decreasing heat transfer area and reduction of flow perturbation. With the flow velocity of 0.5 m/s, 15 mm spacing exhibited the best comprehensive performance with consideration of heat transfer performance and pressure drop. Under 5C discharge conditions, the module's peak surface temperature (Tmax decreased by 4.095 °C) and the surface temperature uniformity (ΔTmax reduced by 3.718 °C) were decreased using the hybrid “liquid cooling-phase change” system integrated with CPCM substantially. The best thermal performance was obtained when the CPCM thickness was 4 mm.
本文对锂离子电池模组在大功率工况下的热管理挑战进行了全面的数值研究。将嵌入涡发生器的对称双螺旋液冷板与复合相变材料(CPCM)相结合,研制了一种新型混合系统。根据实验数据对计算模型进行了严格验证,保证了仿真结果的可靠性。系统研究了涡发生器几何参数(截面形状、间距)和CPCM厚度对电池温度分布的影响。通过计算流体力学(CFD)模拟,对比分析了圆形、方形和三角形涡发生器在0.1 ~ 0.5 m/s流速范围内的热性能。结果表明:采用三角涡发生器的方形锂离子电池,其电池峰值温度(Tmax)和平均温度(Tave)最低,流道入口和出口压降最大;在中高流速下,综合考虑换热性能和压降,圆形涡发生器的综合性能最好。Tmax、Tave和最大温差(ΔTmax)随着涡发生器间距的增大而增大,这是由于换热面积的减小和流动扰动的减小所致。在流速为0.5 m/s时,考虑换热性能和压降,15mm间距的综合性能最好。在5C放电条件下,与CPCM集成的混合式“液冷-相变”系统显著降低了组件的峰值表面温度(Tmax降低了4.095℃)和表面温度均匀性(ΔTmax降低了3.718℃)。当CPCM厚度为4 mm时,热工性能最佳。
{"title":"Numerical study on the thermal management performance of square lithium-ion batteries with symmetric double-spiral liquid cooling coupled with composite phase change material","authors":"Zhuoling Qi ,&nbsp;Bo Yang ,&nbsp;Jilin Lei","doi":"10.1016/j.est.2026.120835","DOIUrl":"10.1016/j.est.2026.120835","url":null,"abstract":"<div><div>A comprehensive numerical investigation on the thermal management challenges of lithium-ion battery modules under high-power operating conditions was conducted in this study. A novel hybrid system was developed through the integration of symmetric double-spiral liquid cooling plates with embedded vortex generators and composite phase change material (CPCM). The computational model was rigorously validated against experimental data, ensuring the reliability of the simulation results. The influence of vortex generator geometric parameters (cross-sectional shape, spacing) and CPCM thickness on battery temperature distribution were systematically investigated. Through the computational fluid dynamics (CFD) simulations, the thermal performance of circular, square and triangular vortex generators was comparatively analyzed under flow velocities ranging from 0.1 to 0.5 m/s. Results demonstrated that the lowest peak battery temperature (<em>T</em><sub>max</sub>) and average temperature (<em>T</em><sub>ave</sub>) of the square lithium-ion batteries were obtained with the triangular vortex generators used in the liquid cooling plates, which had the highest pressure drop at the inlet and outlet in the flow channel. Circular vortex generators exhibit the best comprehensive performance with consideration of heat transfer performance and pressure drop at medium-high flow velocities. <em>T</em><sub>max</sub>, <em>T</em><sub>ave</sub>, and maximum temperature difference (Δ<em>T</em><sub>max</sub>) were increased with the increase of vortex generator spacing, which were due to the decreasing heat transfer area and reduction of flow perturbation. With the flow velocity of 0.5 m/s, 15 mm spacing exhibited the best comprehensive performance with consideration of heat transfer performance and pressure drop. Under 5C discharge conditions, the module's peak surface temperature (<em>T</em><sub>max</sub> decreased by 4.095 °C) and the surface temperature uniformity (Δ<em>T</em><sub>max</sub> reduced by 3.718 °C) were decreased using the hybrid “liquid cooling-phase change” system integrated with CPCM substantially. The best thermal performance was obtained when the CPCM thickness was 4 mm.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":"153 ","pages":"Article 120835"},"PeriodicalIF":8.9,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098607","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}
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Journal of energy storage
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