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Sustainable synthesis of a high-performing off-stoichiometric sodium iron sulfate/N-rGO composite cathode for sodium-ion batteries 钠离子电池用非化学计量硫酸铁钠/ n -氧化石墨烯复合阴极的可持续合成
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-16 DOI: 10.1016/j.jpowsour.2026.239320
Bríana Mulligan-Clarke , Conor Davids , Misbah Mushtaq , Marina Moraes Leite , Hugh Geaney , Suela Kellici , Tadhg Kennedy
Sodium iron sulfate (Na2+2xFe2-x(SO4)3) is a polyanionic compound with a high operating potential (3.8 V vs Na/Na+) that is synthesised using abundant precursors. As a result, it is an attractive Na-ion cathode material, however, its poor electronic conductivity limits the capacity and stability during cycling. Herein, we report the synthesis of Na2.5Fe1.75(SO4)3/C45/N-doped reduced graphene oxide composite using solid-state and continuous hydrothermal flow synthesis methods. The coupling of both C45 and N-rGO creates a carbon matrix that surrounds the active material and offers increased surface contact with NFS and the conductive materials than observed with C45 alone. The NFS@C45/N-rGO cathode delivers discharge capacities of 98.9 mAh g−1 (at 10 mA g−1) and 79.9 mAh g−1 (at 320 mA g−1) respectively, with 85.3 % capacity retention at 10 mA g−1 over 250 cycles. Microstructural analysis confirms that the 2D N-rGO flakes form a continuous conductive scaffold around the active material, ensuring more uniform electronic pathways. This enhanced internal architecture leads directly to the superior capacity retention and lower impedance observed for the NFS@C45/N-rGO electrode during long-term cycling. This work demonstrates that high-performance NFS cathodes can be realised through fully sustainable synthesis routes, offering a viable pathway toward greener battery manufacturing.
硫酸铁钠(Na2+2xFe2-x(SO4)3)是一种具有高工作电位(3.8 V vs Na/Na+)的多阴离子化合物,使用丰富的前体合成。因此,它是一种有吸引力的钠离子阴极材料,然而,它的电子导电性差限制了循环过程中的容量和稳定性。本文报道了采用固态和连续热液合成方法合成了Na2.5Fe1.75(SO4)3/C45/ n掺杂的还原性氧化石墨烯复合材料。与单独使用C45相比,C45和N-rGO的耦合产生了一个围绕活性材料的碳基质,增加了与NFS和导电材料的表面接触。NFS@C45/N-rGO阴极的放电容量分别为98.9 mAh g - 1 (10 mA g - 1)和79.9 mAh g - 1 (320 mA g - 1),在250次循环中,10 mA g - 1的容量保持率为85.3%。微观结构分析证实,二维N-rGO薄片在活性材料周围形成连续的导电支架,确保更均匀的电子路径。这种增强的内部结构直接导致NFS@C45/N-rGO电极在长期循环过程中具有优异的容量保持和较低的阻抗。这项工作表明,高性能NFS阴极可以通过完全可持续的合成路线实现,为更环保的电池制造提供了一条可行的途径。
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引用次数: 0
Synergetic conductivity and redox-active sites in a bismuth-based metal-organic framework for enhanced lithium storage 铋基金属有机框架中增强锂存储的协同电导率和氧化还原活性位点
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.jpowsour.2026.239270
Jianbo Xiong, Qing Li, Ruoyu Wang, Yao Chen, Hao Wang, Junyu Zhang, Xiaolan Tong, Bing Na
The electronically insulating nature and lack of active sites have hindered the application of metal-organic frameworks (MOFs) in lithium-ion batteries (LIBs). Herein, we report a conductive bismuth-based metal-organic framework (Bi-HHTP, HHTP = 2,3,6,7,10,11-hexahydroxytriphenylene), which combines both merits of favorable conductivity and abundant redox-active sites by a simple one-pot reaction, for enhanced lithium storage. Consequently, the Bi-HHTP electrode demonstrates a high reversible capacity of 640 mAh g−1 after 200 cycles at 0.2 A g−1, far superior to the electrodes constructed from the mono-component Bi2O3 and HHTP ligand. Long-term cycling stability measurement of the Bi-HHTP electrode reaches 117 % of its initial value by 2000 cycles at 4 A g−1, Furthermore, the full battery coupled with commercial NCM 523 cathode maintains capacity of 97 mAh g−1 after 200 cycles at 0.5 A g−1, delivering a mass energy density of 525 Wh kg−1 based on cathode. Lithium storage performance and underlying mechanisms were investigated using ex situ characterizations and density functional theory (DFT) calculations. This work may shed light in the pursue for high-performance MOF-based anode of LIBs and validate the lithium storage mechanism of conductive Bi-MOFs.
金属有机骨架材料的电子绝缘性和活性位点的缺乏阻碍了其在锂离子电池中的应用。在此,我们报道了一种导电铋基金属有机骨架(Bi-HHTP, HHTP = 2,3,6,7,10,11-六羟基三苯),通过简单的一锅反应结合了良好的导电性和丰富的氧化还原活性位点的优点,用于增强锂的储存。因此,在0.2 a g - 1下循环200次后,Bi-HHTP电极显示出640 mAh g - 1的高可逆容量,远远优于由单组分Bi2O3和HHTP配体构建的电极。Bi-HHTP电极的长期循环稳定性测量结果表明,在4 A g- 1下循环2000次后,Bi-HHTP电极的稳定性达到了其初始值的117%。此外,与商用NCM 523阴极耦合的完整电池在0.5 A g- 1下循环200次后仍保持97 mAh g- 1的容量,基于阴极的质量能量密度为525 Wh kg - 1。利用非原位表征和密度泛函理论(DFT)计算研究了锂的存储性能和潜在机制。这一工作将为追求高性能的mof基锂离子电池阳极提供启发,并验证导电bi - mof的锂存储机制。
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引用次数: 0
Nickel foam-supported Ru-doped NiCoP nanowire arrays as high-efficiency and durable electrocatalysts for alkaline hydrogen evolution 泡沫镍负载ru掺杂NiCoP纳米线阵列作为高效耐用的碱性析氢电催化剂
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.jpowsour.2026.239330
Yang Zhao , Junli Wang , Yi Luo , Jinlong Wei , Yunpeng Wang , Shilin Zhao , Siwei Cheng , Ruidong Xu , Xuanbing Wang
The development of efficient and robust electrocatalysts for the hydrogen evolution reaction (HER) in alkaline media is essential for sustainable hydrogen production, yet remains challenging due to sluggish kinetics and insufficient active sites. Herein, this paper fabricates a ruthenium doped NiCoP nanowire arrays on nickel foam (Ru-NiCoP/NF) through a tailored hydrothermal etching phosphorization route. The introduced Ru not only modulates the electronic structure of NiCoP, optimizing the hydrogen adsorption free energy, but also induces a controlled etching effect that preserves a three dimensional flower like nanoarchitecture, thereby exposing abundant accessible active sites and facilitating mass/charge transport. As a result, the Ru NiCoP/NF electrode achieves outstanding alkaline HER performance, requiring an ultralow overpotential of 55 mV at 10 mA cm−2, delivering a Tafel slope of 77.6 mV·dec−1, and maintaining remarkable stability over 120 h of continuous operation. This work demonstrates a rational design strategy that couples targeted doping with morphological engineering to advance high performance transition metal phosphide electrocatalysts for energy conversion applications.
为碱性介质中析氢反应(HER)开发高效、稳健的电催化剂对于可持续制氢至关重要,但由于动力学缓慢和活性位点不足,仍然具有挑战性。本文通过定制的水热蚀刻磷化路线,在泡沫镍上制备了钌掺杂NiCoP纳米线阵列(Ru-NiCoP/NF)。引入的Ru不仅可以调节NiCoP的电子结构,优化氢吸附自由能,还可以诱导可控蚀刻效应,保留三维花状纳米结构,从而暴露出丰富的可达活性位点,促进质量/电荷传输。因此,Ru NiCoP/NF电极具有出色的碱性HER性能,在10 mA cm−2下需要55 mV的超低过电位,提供77.6 mV·dec−1的塔菲尔斜率,并在连续工作120小时内保持出色的稳定性。这项工作展示了一种合理的设计策略,将定向掺杂与形态工程相结合,以推进高性能过渡金属磷化物电催化剂的能量转换应用。
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引用次数: 0
Triple-high performance hydrogel electrolyte via γ-ray irradiation: conductive, stretchable, and freezing-resistant for flexible Zn–air batteries 经γ射线辐照的三高性能水凝胶电解质:导电、可拉伸、抗冻,适用于柔性锌空气电池
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.jpowsour.2026.239291
Yongan Ke , Lin Lin , Fangzheng Wang , Xiaoshan Zhou , Kai Fan , Yaqiong Huang , Linfan Li , Yuxia Liu , Jihao Li
The development of flexible zinc-air batteries is limited by the lack of hydrogel electrolytes that integrate high ionic conductivity, mechanical robustness, and wide-temperature stability. Here, we report a facile and green method to fabricate a poly(potassium acrylate)/carbon nanotube (PAAK/CNT) hybrid hydrogel electrolyte via γ-ray irradiation-induced polymerization. Carbon nanotubes are covalently bonded into the PAAK network through ether linkages (C–O–C), forming a uniform cross-linked structure with nanoscale porosity. The cation–π interactions between K+ and CNTs effectively regulate the water state, reducing free water content to as low as 1.2 % while enhancing strong hydrogen bonding. As a result, the PAAK/CNT hydrogel exhibits high ionic conductivity (328.54 mS cm−1), ultrahigh stretchability (>3022.7 %), and freeze resistance down to −40 °C. When employed in a flexible Zn–air battery, it delivers a high specific capacity of 812 mAh g−1, stable cycling under extreme temperatures, and reliable operation under deformation. This work provides a scalable and eco-friendly strategy to design multifunctional hydrogel electrolytes that overcome classic performance trade-offs, offering a promising platform for durable flexible energy storage under harsh conditions.
由于缺乏具有高离子电导率、机械稳健性和宽温度稳定性的水凝胶电解质,柔性锌空气电池的发展受到限制。本文报道了一种简便、绿色的通过γ射线辐照诱导聚合制备聚丙烯酸钾/碳纳米管(PAAK/CNT)杂化水凝胶电解质的方法。碳纳米管通过醚键(C-O-C)共价连接到PAAK网络中,形成具有纳米级孔隙度的均匀交联结构。K+和CNTs之间的阳离子-π相互作用有效地调节了水状态,将自由水含量降低至1.2%,同时增强了强氢键。结果表明,PAAK/CNT水凝胶具有高离子电导率(328.54 mS cm - 1)、超高拉伸性(3022.7%)和低至- 40°C的抗冻性。当用于柔性锌空气电池时,它提供812 mAh g−1的高比容量,在极端温度下稳定循环,在变形下可靠运行。这项工作提供了一种可扩展且环保的策略来设计多功能水凝胶电解质,克服了传统的性能权衡,为在恶劣条件下持久灵活的储能提供了一个有前途的平台。
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引用次数: 0
Binder-free non-pyrolytic Co–Fe ZIF nanosheet networks as bifunctional electrocatalysts for high-current-density alkaline water splitting 无粘结剂非热解Co-Fe纳米片网络作为大电流密度碱性水分解的双功能电催化剂
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.jpowsour.2026.239327
Inseo Cho , Shrine Maria Nithya Jeghan , Moonsu Kim , Gibaek Lee
In this study, we report binder-free, non-pyrolytic Co–Fe zeolitic imidazolate framework (ZIF) nanosheet networks directly grown on nickel foam (NF) as efficient bifunctional electrocatalysts for alkaline water splitting. Fe incorporation reorganizes the Co–ZIF architecture into interconnected 3D networks, enhancing charge/mass transport and generating rich Co/Fe–N coordination environments. The optimized Co3Fe1–ZIF/NF electrode delivers overpotentials of 275 mV (OER) at 20 mA cm−2 and 156 mV (HER) at 10 mA cm−2 in 1.0 M KOH (iR-corrected), with low Tafel slopes of 53 and 85 mV dec−1. As a two-electrode cell, Co3Fe1–ZIF/NF||Co3Fe1–ZIF/NF requires 1.58 V at 10 mA cm−2 and remains stable for 100 h. Moreover, Co3Fe1–ZIF exhibits high-current OER durability at 500 mA cm−2 for 100 h. Impedance and distribution-of-relaxation-time analyses indicate reduced charge-transfer and transport-related resistances, while post-OER XPS evidences operation-induced chemical-state evolution toward more oxidized Co/Fe environments consistent with oxyhydroxide-like active states. This work provides a scalable, low-temperature strategy to fabricate binder-free MOF electrodes for high-rate alkaline water splitting and sustainable hydrogen production.
在这项研究中,我们报道了直接在泡沫镍(NF)上生长的无粘结剂、非热解的Co-Fe沸石咪唑盐框架(ZIF)纳米片网络作为碱水分解的高效双功能电催化剂。Fe的加入将Co - zif结构重组为相互连接的3D网络,增强电荷/质量传输,并产生丰富的Co/Fe - n协调环境。优化后的Co3Fe1-ZIF /NF电极在20 mA cm - 2条件下的过电位为275 mV (OER),在1.0 M KOH条件下(ir校正)的过电位为156 mV (HER), Tafel斜率为53和85 mV dec - 1。作为一种双电极电池,Co3Fe1-ZIF /NF|| Co3Fe1-ZIF /NF在10 mA cm - 2下需要1.58 V电压,并保持100小时的稳定。此外,Co3Fe1-ZIF在500 mA cm - 2下具有100小时的高电流OER耐久性。阻抗和弛缓时间分布分析表明,电荷转移和运输相关电阻降低,而OER后XPS表明操作诱导的化学状态向更氧化的Co/Fe环境演变,与氧原子样活性态一致。这项工作提供了一种可扩展的、低温的策略来制造无粘结剂的MOF电极,用于高速碱性水分解和可持续制氢。
{"title":"Binder-free non-pyrolytic Co–Fe ZIF nanosheet networks as bifunctional electrocatalysts for high-current-density alkaline water splitting","authors":"Inseo Cho ,&nbsp;Shrine Maria Nithya Jeghan ,&nbsp;Moonsu Kim ,&nbsp;Gibaek Lee","doi":"10.1016/j.jpowsour.2026.239327","DOIUrl":"10.1016/j.jpowsour.2026.239327","url":null,"abstract":"<div><div>In this study, we report binder-free, non-pyrolytic Co–Fe zeolitic imidazolate framework (ZIF) nanosheet networks directly grown on nickel foam (NF) as efficient bifunctional electrocatalysts for alkaline water splitting. Fe incorporation reorganizes the Co–ZIF architecture into interconnected 3D networks, enhancing charge/mass transport and generating rich Co/Fe–N coordination environments. The optimized Co<sub>3</sub>Fe<sub>1</sub>–ZIF/NF electrode delivers overpotentials of 275 mV (OER) at 20 mA cm<sup>−2</sup> and 156 mV (HER) at 10 mA cm<sup>−2</sup> in 1.0 M KOH (iR-corrected), with low Tafel slopes of 53 and 85 mV dec<sup>−1</sup>. As a two-electrode cell, Co<sub>3</sub>Fe<sub>1</sub>–ZIF/NF||Co<sub>3</sub>Fe<sub>1</sub>–ZIF/NF requires 1.58 V at 10 mA cm<sup>−2</sup> and remains stable for 100 h. Moreover, Co<sub>3</sub>Fe<sub>1</sub>–ZIF exhibits high-current OER durability at 500 mA cm<sup>−2</sup> for 100 h. Impedance and distribution-of-relaxation-time analyses indicate reduced charge-transfer and transport-related resistances, while post-OER XPS evidences operation-induced chemical-state evolution toward more oxidized Co/Fe environments consistent with oxyhydroxide-like active states. This work provides a scalable, low-temperature strategy to fabricate binder-free MOF electrodes for high-rate alkaline water splitting and sustainable hydrogen production.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"667 ","pages":"Article 239327"},"PeriodicalIF":7.9,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145974030","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
Superhydrophilic NiFe-LDH/Co3Se4-Fe3Se4 triggered lattice oxygenparticipation for oxygen evolution reaction in alkaline freshwater/seawater at high current densities 超亲水性NiFe-LDH/Co3Se4-Fe3Se4在高电流密度下触发了碱性淡水/海水中析氧反应的晶格参与
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.jpowsour.2026.239326
Nana Wang , Qi Zhang , Xiaoli Ma , Zhe Liu , Kefen Yue , Yongliang Cheng , Dongsheng Li
Designing and fabricating advanced electrocatalysts with remarkably efficient oxygen evolution reaction (OER) that follow lattice oxygen mechanism (LOM) and meet the requirements of low-cost, industrial-scale current densities and durable stability is critical for electrocatalytic seawater splitting to produce hydrogen. However, this still presents a considerable difficulty. Herein, an efficient and durable OER electrocatalyst following the LOM pathway for alkaline freshwater and alkaline seawater splitting was synthesized on nickel foam employing a hydrothermal and subsequent electrodeposition method. This electrocatalyst exhibits a self-supported structure with crystalline/amorphous heterostructured nanosheets and superhydrophilicity nature, which effectively increases available active sites, enhances mass transfer, and promotes gas release. Furthermore, the establishment of crystalline/amorphous heterojunctions can regulate the electronic structure, trigger the contribution of lattice oxygen for OER, and reduce activation energy. Hence, the NiFe-LDH/Co3Se4-Fe3Se4 demonstrates remarkable OER performance, featuring highly low overpotentials of 272, 304 mV at 1000 mA cm−2 in alkaline freshwater and alkaline nature seawater. Equally importantly, it exhibits outstanding durability, maintaining consistent performance for 200 h at 500 mA cm−2 in two electrolytes. This study provides an advisable understanding of the preparation of high-activity and durable LOM-based electrocatalysts for seawater electrolysis from the perspective of activation energy.
设计和制造具有高效析氧反应(OER)的先进电催化剂,遵循晶格氧机理(LOM),满足低成本、工业规模电流密度和持久稳定性的要求,是电催化海水裂解制氢的关键。然而,这仍然存在相当大的困难。本文采用水热法和后续电沉积法在泡沫镍上合成了一种高效耐用的OER电催化剂,该催化剂遵循LOM途径,用于碱性淡水和碱性海水的分裂。该电催化剂具有晶体/非晶异质结构纳米片的自支撑结构和超亲水性,有效地增加了有效活性位点,增强了传质,促进了气体释放。此外,晶体/非晶异质结的建立可以调节电子结构,触发晶格氧对OER的贡献,降低活化能。因此,NiFe-LDH/Co3Se4-Fe3Se4在碱性淡水和碱性海水中表现出优异的OER性能,在1000 mA cm−2下具有极低的过电位,分别为272、304 mV。同样重要的是,它具有出色的耐久性,在500毫安厘米−2下在两种电解质中保持200小时的稳定性能。本研究从活化能的角度对制备高活性、耐用的lom基海水电解电催化剂提供了合理的认识。
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引用次数: 0
Mechanism-driven life Prediction of lithium-ion batteries via a coupled mechanical-electrochemical degradation model and Gaussian process regression 基于机械-电化学耦合退化模型和高斯过程回归的锂离子电池寿命机理预测
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.jpowsour.2026.239316
Haimei Xie , Puheng Sun , Zilong Zhang , Haibin Song , Yize Wang , Qian Zhang , Yilan Kang
Accurate prediction of the lifetime of energy storage devices is crucial for ensuring system safety, reliability, and cost-effectiveness. However, limited understanding of underlying mechanisms and model interpretability often constrain prediction accuracy. Here, we present a mechanism-data dual-driven prediction method that integrates mechanistic modeling with data-driven learning. Focusing on the electrode mechano-electrochemical decay mechanism, we establish a workflow of “data generation-mechanism cognition-mechanical integration-prediction verification”. Parallel electrochemical impedance spectroscopy and acoustic emission experiments capture the nonlinear evolution of mechanical damage and electrochemical degradation. The results reveal a coupled degradation pathway of mechanical damage accumulation→electrochemical kinetics limitation→capacity degradation, with Pearson correlation analysis confirming the physical relevance of impedance parameters in describing the coupled mechano-electrochemical degradation process. Using fatigue damage theory, we develop an Electrochemical-Paris model to integrate mechanical knowledge into impedance features, forming a mechanically enhanced dataset. A mechanism-constrained lifetime prediction framework is built using Gaussian Process Regression, enabling a robust fusion of physical knowledge and data-driven learning. Multi-dimensional validation across materials and cycling rates shows that, compared to exponential models and impedance-based predictions, the proposed method offers superior accuracy, stability, and adaptability. This integrated framework provides a robust methodology for physics-data dual-driven lifetime prediction of lithium-ion batteries.
准确预测储能设备的寿命对于保证系统的安全性、可靠性和成本效益至关重要。然而,对潜在机制和模型可解释性的有限理解往往限制了预测的准确性。在这里,我们提出了一种机制-数据双驱动的预测方法,该方法将机制建模与数据驱动学习相结合。针对电极力学-电化学衰变机理,建立了“数据生成-机理认知-力学集成-预测验证”的工作流程。平行电化学阻抗谱和声发射实验捕捉了机械损伤和电化学降解的非线性演化过程。结果揭示了机械损伤积累→电化学动力学限制→容量退化的耦合降解途径,Pearson相关分析证实了阻抗参数在描述机械-电化学耦合降解过程中的物理相关性。利用疲劳损伤理论,我们开发了一个电化学-巴黎模型,将机械知识整合到阻抗特征中,形成一个机械增强的数据集。利用高斯过程回归建立了一个机制约束的寿命预测框架,实现了物理知识和数据驱动学习的鲁棒融合。跨材料和循环速率的多维验证表明,与指数模型和基于阻抗的预测相比,所提出的方法具有更高的准确性、稳定性和适应性。这个集成框架为锂离子电池的物理数据双驱动寿命预测提供了一个强大的方法。
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引用次数: 0
Ultralow loading of single platinum atom embed into nanoporous nickel on nitrogen-doped carbon catalysts for stable hydrogen evolution reaction 氮掺杂碳催化剂上单铂原子嵌入纳米孔镍的超低负载稳定析氢反应
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.jpowsour.2026.239322
Xin Kang , Han Qi , Bolin Zhu , Fen Guo , Baoan Fan , Yongsheng Tian , Daniel John Blackwood , Shengzhou Xu , Dan Ren , Xiaolei Huang , Yang Gui
A single noble metal atom combined with transition non-noble metals shows significant potential for improving atomic utilization of the former, thus reducing costs for practical water splitting application. Moreover, the rational design of catalysts with unique structure and proper compositions can increase the number of catalytic active sites, facilitate charges diffusion, and optimize adsorption energy of hydrogen ion to enhance hydrogen evolution reaction (HER). Herein, we synthesized a catalyst comprising single platinum atoms dispersed in nanoporous Ni metal (designated as sPtNi) supported by N-doped carbon, featuring an ultralow Pt loading of 0.5 wt%. Calculations using density functional theory indicate that the synergistic effects caused a low hydrogen adsorption free energy (−0.048 eV), hence promoting adsorbed hydrogen atom conversion and H2 desorption. Simultaneously, the incorporated Pt single atoms, possessing a downshifted d-band center in comparison to Ni metal, augment the electron transfer rate. Consequently, the sPtNi catalysts exhibited exceptional HER activity, exhibiting a low overpotential of 43 mV at 10 mA cm−2 and a Tafel slope of 54.7 mV dec−1. Moreover, the sPtNi catalyst exhibited high stability, with no dissolution observed in the solution even under −200 mA cm−2 for 100 h surpassing the most commercial Pt/C catalyst.
单一贵金属原子与过渡非贵金属的结合显示出提高前者原子利用率的巨大潜力,从而降低了实际水分解应用的成本。此外,合理设计具有独特结构和适当成分的催化剂,可以增加催化活性位点的数量,促进电荷扩散,优化氢离子的吸附能,从而增强析氢反应(HER)。在此,我们合成了一种催化剂,该催化剂由单个铂原子分散在n掺杂碳负载的纳米多孔镍金属(称为sPtNi)中,具有0.5 wt%的超低铂负载。利用密度泛函理论计算表明,协同效应导致了较低的氢吸附自由能(- 0.048 eV),从而促进了吸附氢原子的转化和H2的脱附。同时,与Ni金属相比,加入的Pt单原子具有下移的d带中心,增加了电子传递速率。因此,sPtNi催化剂表现出优异的HER活性,在10 mA cm−2下表现出43 mV的低过电位,Tafel斜率为54.7 mV dec−1。此外,sPtNi催化剂表现出很高的稳定性,即使在−200 mA cm−2的条件下,100小时也没有观察到溶解,超过了大多数商业Pt/C催化剂。
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引用次数: 0
Intelligent design of lithium-ion battery thermal management systems for electric vehicles: Integration of gene expression programming modeling and multi-objective atomic orbital search optimization 电动汽车锂离子电池热管理系统的智能设计:基因表达编程建模与多目标原子轨道搜索优化的集成
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.jpowsour.2026.239257
Hangxin Liu , Ahmad Alkhayyat , Normurot Fayzullaev , Hussain F. Abualkhair , Mohamed vall O. Mohamed , Hattan Ali A.Asiri , Ali Arishi , Naif Alsaadi , Muidh Awadh Algahtani , Abdulmalik H. Altuwayjiri
This study introduces an advanced machine learning (ML) and artificial intelligence (AI)-driven framework for optimizing thermal management systems (TMS) in lithium-ion batteries (LIBs). While ML methods are widely applied for predictive modeling in the LIB domain, the integration of AI-driven optimization and decision-making tools into TMS design remains underdeveloped. To address this gap, we propose a structured methodology encompassing data-driven analysis, ML-based predictive modeling, multi-objective optimization, and multi-criteria decision-making (MCDM). A double-layered liquid cooling plate is selected as a case study, with emphasis on geometric design parameters that influence thermal efficiency and energy performance. High-fidelity predictive models are constructed using gene expression programming (GEP) and the COMBI algorithm, both achieving excellent accuracy, with COMBI outperforming GEP (R > 0.99). These models serve as objective functions for the multi-objective atomic orbital search (MOAOS) algorithm, which we benchmark against NSGA-II. Results show that MOAOS provides superior Pareto-front coverage, particularly in regions with sharp trade-offs, effectively balancing the minimization of maximum temperature (Tmax), surface temperature variation (Tσ), and pressure drop (Pmax). The MOAOS algorithm identifies Pareto-optimal solutions with enhanced convergence and diversity characteristics compared to NSGA-II. Final optimal solutions are selected using the MABAC MCDM method under seven operating scenarios, ensuring robust performance across different practical conditions. This research demonstrates the effectiveness of integrating ML and AI for LIB thermal management optimization, offering a versatile framework that advances predictive accuracy, optimization efficiency, and the design of next-generation battery cooling technologies.
本研究介绍了一种先进的机器学习(ML)和人工智能(AI)驱动的框架,用于优化锂离子电池(lib)的热管理系统(TMS)。虽然机器学习方法被广泛应用于LIB领域的预测建模,但将人工智能驱动的优化和决策工具集成到TMS设计中仍然不发达。为了解决这一差距,我们提出了一种结构化的方法,包括数据驱动分析、基于ml的预测建模、多目标优化和多标准决策(MCDM)。以双层液冷板为例,重点研究了影响热效率和能量性能的几何设计参数。采用基因表达编程(GEP)和COMBI算法构建了高保真度的预测模型,两者均取得了优异的精度,其中COMBI优于GEP (R > 0.99)。这些模型作为多目标原子轨道搜索(MOAOS)算法的目标函数,我们对NSGA-II进行了基准测试。结果表明,MOAOS能够有效地平衡最高温度(Tmax)、地表温度变化(Tσ)和压降(Pmax)的最小化,特别是在具有明显权衡的区域,提供了优越的帕累托前覆盖。与NSGA-II相比,MOAOS算法识别出的pareto最优解具有更好的收敛性和多样性。采用MABAC MCDM方法在7种工况下选择了最终的最优解,保证了系统在不同工况下的鲁棒性能。这项研究证明了将机器学习和人工智能集成到LIB热管理优化中的有效性,提供了一个通用的框架,可以提高预测精度、优化效率和下一代电池冷却技术的设计。
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引用次数: 0
Functionalized carbon materials for high-energy sodium-ion batteries: Progress, mechanisms, and perspectives 高能钠离子电池的功能化碳材料:进展、机制与展望
IF 7.9 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.jpowsour.2026.239311
Meenakshi Gusain , Preety Ahuja , Akshara Bassi , Divjot Kour , Kumud Dubey
Functionalized carbon materials have tunable architectures, abundant resources and sustainable synthesis which make them promising for high-energy sodium-ion batteries (SIBs). Carbon-based materials face significant challenges in SIBs, including low initial Coulombic efficiency, sluggish Na+ diffusion due to sodium's larger ionic radius, unstable electrode/electrolyte interfaces, and insufficient long-term cycling stability under high-rate conditions. This review focuses and systematically analyze current developments in engineering carbon microstructures, heteroatom doping, and porosity tuning to overcome these limitations and enhance capacity, rate performance, and durability.
Particular emphasis made on comparing functionalization strategies and hybrid composite designing that incorporate transition metals creating more active sites and stabilizing stresses through the integration of sophisticated carbon structures with metals or metal phosphides. The in-situ and theoretical findings of the mechanistic understanding of the adsorption, diffusion, and clustering of ions are summarized to shed light on the adsorption, intercalation, and pore-filling sodium storage process.
Future avenues into research with emphasis on multidisciplinary technologies to integrate theoretical modeling, scalable process design, defect engineering and material innovation to create functionalized carbon materials to form next-generation energy storage of sodium ions. This literature review provides a guideline on how to design next-generation carbon anodes that are both applicable in practice and sustainable and large-scale SIB.
功能化碳材料具有结构可调、资源丰富和可持续合成等特点,在高能钠离子电池中具有广阔的应用前景。碳基材料在sib中面临着重大挑战,包括初始库仑效率低、钠离子半径较大导致Na+扩散缓慢、电极/电解质界面不稳定以及在高倍率条件下长期循环稳定性不足。本文重点系统分析了工程碳微观结构、杂原子掺杂和孔隙调节的最新进展,以克服这些限制,提高容量、速率性能和耐久性。特别强调了功能化策略和混合复合材料设计的比较,结合过渡金属创造更多的活性位点,并通过将复杂的碳结构与金属或金属磷化物相结合来稳定应力。本文总结了离子吸附、扩散和聚类机理的原位和理论研究成果,以揭示离子的吸附、插层和孔隙填充钠储存过程。未来的研究重点是多学科技术,将理论建模、可扩展工艺设计、缺陷工程和材料创新结合起来,创造功能化碳材料,形成下一代钠离子储能。本文综述了新一代碳阳极的研究进展,为设计具有实际应用价值和可持续性的大规模SIB材料提供了指导。
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Journal of Power Sources
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