Journal of Energy Chemistry最新文献_第10页

Revealing the electrochemical evolution of nitroso-to-azo cathodes for lithium-ion storage 揭示亚硝基-偶氮锂离子存储阴极的电化学演变

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-25 DOI: 10.1016/j.jechem.2025.11.027

Ximeng Zhang, Jay Nejad, Zhibin Ye

In this paper, aromatic nitroso compounds are investigated for their electrochemical performance as organic cathodes for lithium-ion batteries, with an elucidation of their redox mechanism. For the first time, ex situ spectroscopic analyses of small-molecule mono-nitroso compounds (including nitrosobenzene, 2-nitrosotoluene, 4-nitrosobenzoic acid, and lithium 4-nitrosobenzoate) reveal a universal, irreversible transformation of their nitroso dimers to azo species during the first electrochemical cycle, establishing azo groups as the true reversible redox-active centers. Unlike small-molecule analogs that convert rapidly, polymeric 1,4-dinitrosobenzene (DNSB) evolves gradually through azoxy intermediates, accompanied by increased conjugation and enhanced structural stability. To enhance utilization efficiency and cycling stability, DNSB is encapsulated in porous carbons (BP2000, Ketjenblack) via solution infusion, yielding composites with a high initial capacity of 383 mAh g⁻¹ and a stable reversible capacity of 102 mAh g⁻¹ after 800 cycles at 150 mA g⁻¹. Electrochemical impedance spectroscopy confirms reduced charge-transfer resistance and improved interfacial stability. This work uncovers the fundamental nitroso-to-azo conversion mechanism and demonstrates a scalable carbon-confinement strategy to construct durable polymeric azo-type organic electrodes from nitroso compounds for sustainable energy storage.

本文研究了芳香亚硝基化合物作为锂离子电池有机阴极的电化学性能，并阐明了其氧化还原机理。对小分子单亚硝基化合物（包括亚硝基苯、2-亚硝基甲苯、4-亚硝基苯甲酸和4-亚硝基苯甲酸锂）的非原位光谱分析首次揭示了它们的亚硝基二聚体在第一次电化学循环中普遍、不可逆地转化为偶氮物质，并确立了偶氮基团是真正可逆的氧化还原活性中心。与快速转化的小分子类似物不同，聚合物1,4-二硝基苯（DNSB）通过偶氮基中间体逐渐演变，伴随着增加的偶联性和增强的结构稳定性。为了提高DNSB的利用效率和循环稳定性，通过溶液注入将DNSB封装在多孔碳（BP2000, Ketjenblack）中，制备的复合材料在150 mA g - 1下循环800次后具有383 mAh g - 1的高初始容量和102 mAh g - 1的稳定可逆容量。电化学阻抗谱证实了电荷转移电阻的降低和界面稳定性的提高。这项工作揭示了亚硝基到偶氮转化的基本机制，并展示了一种可扩展的碳约束策略，可以从亚硝基化合物中构建持久的聚合物偶氮型有机电极，用于可持续的能量储存。

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引用次数: 0

Efficient design of Pt58Ga30V12-VC/CNT as multifunctional electrocatalyst with high activity and stability for hydrogen production Pt58Ga30V12-VC/CNT高产氢多功能电催化剂的高效设计

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-24 DOI: 10.1016/j.jechem.2025.11.022

Yayi He , Ruobing Huang , Xin Guo , Wenting Qiu , Xiangyu Yu , Zeqi Song , Liuxiong Luo , Shen Gong , Bing Liu

The application of highly active PtGa alloy catalysts in the hydrogen evolution reaction (HER) and methanol oxidation reaction (MOR) is limited by insufficient stability. This study employs elemental doping to simultaneously promote L1₂ ordering and support-interface coupling, thereby synergistically improving the activity and stability of PtGa alloys. Through an efficient screening framework, vanadium is identified as the optimal dopant. The Pt₅₈Ga₃₀V₁₂-VC/CNT catalyst achieves a low HER overpotential of 10 mV at 10 mA cm⁻², with only a 12 mV increase after 135-h stability test. The MOR mass activity reaches 5547 mA mg⁻¹_Pt (2.51 times that of Pt₆₆Ga₃₄/CNT), retaining 1646 mA mg⁻¹_Pt after 5000-second stability test (3.02 times that of Pt₆₆Ga₃₄/CNT). The coupled HER-MOR methanol electrolysis cell achieves a voltage of 0.444 V at 10 mA cm⁻², maintaining a current density of 16 mA cm⁻² after 12-h stability test (9.35 times that of Pt₆₆Ga₃₄/CNT). Density functional theory calculations further reveal that vanadium doping modulates the PtGa alloy’s electronic structure, lowers reaction reaction free energy change, and facilitates performance enhancement. This strategy provides a reasonable approach for developing efficient and durable multifunctional electrocatalysts for hydrogen production.

高活性PtGa合金催化剂在析氢反应（HER）和甲醇氧化反应（MOR）中的应用受到稳定性不足的限制。本研究采用元素掺杂同时促进L12有序和支撑界面耦合，从而协同提高PtGa合金的活性和稳定性。通过一个有效的筛选框架，钒被确定为最佳的掺杂剂。Pt58Ga30V12-VC/CNT催化剂在10 mA cm−2下实现了10 mV的低HER过电位，在135小时稳定性测试后仅增加了12 mV。MOR质量活度达到5547 mA mg - 1Pt（是Pt66Ga34/CNT的2.51倍），稳定性测试5000秒后保持1646 mA mg - 1Pt（是Pt66Ga34/CNT的3.02倍）。耦合HER-MOR甲醇电解池在10 mA cm - 2下电压为0.444 V，经过12 h稳定性测试后电流密度保持在16 mA cm - 2（是Pt66Ga34/CNT的9.35倍）。密度泛函理论计算进一步表明，钒的掺杂调节了PtGa合金的电子结构，降低了反应的自由能变化，有利于性能的提高。该策略为开发高效、耐用的多功能制氢电催化剂提供了合理的途径。

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引用次数: 0

Halogen-containing ultrathin 2D MOF nanosheets for enhanced stability and efficiency in perovskite solar cells 钙钛矿太阳能电池中用于提高稳定性和效率的含卤素超薄二维MOF纳米片

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-21 DOI: 10.1016/j.jechem.2025.11.020

Wei Wang , Jiaqi Wang , Jian Zhang , Kaifeng Lin , Boyuan Hu , Xingrui Zhang , Yayu Dong , Debin Xia , Evgeny Tretyakov , Yulin Yang

Morphological imperfections and phase segregation at the buried perovskite interface have posed significant challenges to further enhancing the efficiency of perovskite solar cells (PSCs). In this work, a halogen-functionalized porphyrin-based metal–organic framework (MOF) nanosheet, Cu-TCPP(I), is introduced as a multifunctional buffer layer at the SnO₂/perovskite interface. The Cu-TCPP(I) nanosheets effectively passivate interfacial defects, regulate crystallization kinetics, and stabilize the photoactive α-phase perovskite against undesirable transition to the δ-phase. This interfacial engineering strategy enhances charge extraction efficiency and suppresses non-radiative recombination, enabling devices to achieve a champion power conversion efficiency (PCE) of 24.62 % with negligible hysteresis. The optimized devices retain 92 % of their initial PCE after 1600 h of storage under ambient conditions, demonstrating excellent operational stability. Importantly, the Cu-TCPP(I) interlayer exhibits strong lead-chelating capability, significantly reducing the risk of lead leakage. This multifunctional interfacial design presents a promising route toward high-efficiency, stable, and environmentally friendly PSCs for large-scale photovoltaic applications.

埋地钙钛矿界面的形态缺陷和相偏析对进一步提高钙钛矿太阳能电池（PSCs）的效率提出了重大挑战。在这项工作中，一种卤素功能化卟啉基金属有机框架（MOF）纳米片Cu-TCPP(I)被引入SnO2/钙钛矿界面作为多功能缓冲层。Cu-TCPP(I)纳米片有效钝化界面缺陷，调节结晶动力学，稳定光活性α-相钙钛矿，防止其向δ相过渡。这种界面工程策略提高了电荷提取效率，抑制了非辐射复合，使器件实现了24.62%的冠军功率转换效率（PCE），且迟滞可以忽略不计。优化后的器件在环境条件下存储1600小时后仍保持其初始PCE的92%，表现出出色的运行稳定性。重要的是，Cu-TCPP(I)中间层表现出很强的铅螯合能力，显著降低了铅泄漏的风险。这种多功能界面设计为大规模光伏应用提供了高效、稳定和环保的PSCs。

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引用次数: 0

Synergistic pinning and piezoelectric effects in CNT/BaTiO3 network for SiO-based anodes toward ultra-stable lithium batteries 超稳定锂电池用碳纳米管/BaTiO3阳极网络的协同钉钉和压电效应

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-19 DOI: 10.1016/j.jechem.2025.12.025

Feng Sun , Anjun Hu , Junmei Han , Shenghai Xin , Zhihui Ma , Youwei Wang , Jianbin Li , Qi Wan , Ruidie Tang , Shaofei Wu , Xuanhui Qu , Ping Li

Silicon dioxide (SiO) is regarded as a promising anode candidate for high-energy-density lithium-ion batteries (LIBs) owing to its superior theoretical specific capacity. However, SiO anodes encounter substantial challenges, including substantial volume expansion and persistent growth of a thick solid electrolyte interphase (SEI). In this work, a composite conductive network with dual pinning and piezoelectric effects is proposed, which is cleverly designed to improve the electrochemical reaction kinetics of the electrode. Within the proposed network architecture, single-walled carbon nanotubes (CNTs) serve as fast electronic conductors and structural protective layers, forming a three-dimensional (3D) coating network on the surface of SiO particles. Barium titanate (BTO) nanoparticles are anchored at the nodes of the CNT network through the formation of rigid anchor points, dispersing stress throughout the network. Concurrently, mechanical stress induced by electrochemical reactions prompts BTO to generate a local electric field, facilitating Li⁺ transport. Consequently, the developed anode (SiO@PCB) demonstrates remarkable electrochemical performance in LIBs, exhibiting a capacity retention rate of 94% even after 500 cycles at 1 A g⁻¹. Furthermore, a capacity retention of 71.6% is demonstrated by SiO@PCB anode after 1000 cycles at 5 C in sulfide-based all-solid-state LIBs using an NCM83 cathode. This composite conductive network structure provides an effective guidance plan for achieving interface stability and long-term lithium storage of Si-based anodes.

二氧化硅（SiO）由于其优越的理论比容量，被认为是高能量密度锂离子电池（LIBs）极有前途的阳极候选材料。然而，SiO阳极面临着巨大的挑战，包括大量的体积膨胀和厚固体电解质界面（SEI）的持续生长。在这项工作中，提出了一种具有双钉钉和压电效应的复合导电网络，该网络的设计巧妙地改善了电极的电化学反应动力学。在提出的网络结构中，单壁碳纳米管（CNTs）作为快速电子导体和结构保护层，在SiO颗粒表面形成三维（3D）涂层网络。钛酸钡（BTO）纳米颗粒通过形成刚性锚点锚定在碳纳米管网络的节点上，在整个网络中分散应力。同时，电化学反应引起的机械应力促使BTO产生局部电场，有利于Li+的输运。因此，开发的阳极（SiO@PCB）在锂离子电池中表现出卓越的电化学性能，即使在1 a g−1下循环500次后，其容量保持率仍为94%。此外，在使用NCM83阴极的硫化物基全固态锂电池中，SiO@PCB阳极在5℃下循环1000次后，其容量保持率为71.6%。这种复合导电网络结构为实现硅基阳极的界面稳定性和锂的长期存储提供了有效的指导方案。

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引用次数: 0

Spillover of intermediates from Ru single atoms to La0.9NiO3 for boosting electrocatalytic furfural C–C coupling into jet fuel precursors 从Ru单原子到La0.9NiO3的中间体溢出促进电催化糠醛C-C偶联成喷气燃料前驱体

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-23 DOI: 10.1016/j.jechem.2025.12.030

Yuxuan Gao , Huan Liu , Xiaopeng Liu , Yida Zhang , Tianyu Zhang , Jie Bai

Hydrofuroin (HDF), a key precursor of fuel, can be produced by electrocatalytic furfural (FF) hydrodimerization, offering a promising way to generate value-added products. However, this process is hindered by sluggish C–C coupling and hydrogenation steps, resulting in low Faradaic efficiency (FE). Herein, atomically dispersed Ru sites anchored on lattice vacancies of La_0.9NiO₃ (Ru-La_0.9NiO₃) electrocatalysts were demonstrated as an efficient electrocatalyst for FF hydrodimerization, where an intermediate spillover strategy significantly enhances the FE. Mechanistic investigations reveal that Ru single atoms serve as active sites for the initial hydrogenation to form the FF-CHOH* intermediate with almost 100% selectivity, thereby suppressing the side reaction of hydrogen evolution. Subsequently, the increased FE-CHOH* intermediate undergoes spillover to adjacent Ni sites, decreasing the energy barrier for the subsequent C–C coupling step to HDF (ΔG = 0.63 eV). As a result, the Ru-La_0.9NiO₃ catalyst displays a high FE of 74% and a production rate of 3.95 mmol cm⁻² h⁻¹ toward electrocatalytic FF hydrodimerization to HDF product. This work provides an efficient intermediate spillover approach, offering mechanistic insights into Ru-Ni synergism in Ru-La_0.9NiO₃ and providing a sensible method for electrocatalytic hydrodimerization of furfural to produce high-value products.

氢呋喃（HDF）是一种重要的燃料前驱体，可通过电催化糠醛（FF）加氢二聚反应制备，为生产高附加值产品提供了一条有前景的途径。然而，这一过程受到缓慢的C-C偶联和加氢步骤的阻碍，导致法拉第效率（FE）低。在本研究中，原子分散的Ru位点锚定在La0.9NiO3 （Ru-La0.9NiO3）电催化剂的晶格空位上，被证明是FF加氢二聚的有效电催化剂，其中中间溢出策略显著提高了FE。机理研究表明，Ru单原子作为初始加氢的活性位点，以几乎100%的选择性形成FF-CHOH*中间体，从而抑制了析氢的副反应。随后，增加的FE-CHOH*中间体溢出到邻近的Ni位点，降低了后续C-C耦合到HDF的能垒（ΔG = 0.63 eV）。结果表明，Ru-La0.9NiO3催化剂电催化FF加氢生成HDF的效率为74%，产率为3.95 mmol cm−2 h−1。本研究提供了一种有效的中间溢出方法，为Ru-La0.9NiO3中Ru-Ni协同作用的机理提供了见解，并为糠醛的电催化加氢二聚化生产高价值产品提供了一种合理的方法。

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引用次数: 0

Coupled reaction pathways and microenvironment engineering in IrOx/Nb2O5 for efficient water electrolysis IrOx/Nb2O5高效电解水的耦合反应途径及微环境工程

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-13 DOI: 10.1016/j.jechem.2025.12.010

Zijie Yang , Hao Zhang , Zhaoyan Luo , Chunlei Bian , Yinnan Qian , Siyuan Zhu , Lei Zhang , Qianling Zhang , Chuanxin He , Junjie Ge , Xiangzhong Ren

Recent efforts in proton-exchange membrane water electrolysis (PEMWE) focus on developing superior catalysts and membrane electrode assemblies (MEAs) to achieve efficient expression of performance low-IrO_x-loaded PEMWE systems. Herein, we report an infusive result that, through anchoring amorphous IrO_x clusters onto Nb₂O₅ support, we were able to switch the reaction pathway and optimize the MEA microenvironment. Specifically, the near-ideal IrIr atomic configuration and the strong coupling strength of the *O and *OH species on adjacent iridium atoms in IrO_x/Nb₂O₅ facilitate direct O*O* radical coupling to form an intermediate O*O*Ir configuration during acidic OER without generating OOH* species. This configuration significantly enhances the OER Ir mass activity from 23.1 to 424.2 A g Ir⁻¹ at 1.5 V, while reducing the overpotential (@10 mA cm⁻²) from 339 to below 190 mV compared to IrO₂. Furthermore, the IrO_x/Nb₂O₅ catalyst also addresses the electron and proton transport issues in low-Ir-loaded MEA, through tuning the band structure and wettability of the low-Ir-loaded catalyst layer and Ti porous transport layer interface. The resulting catalysts achieve ultra-low overpotentials in a PEMWE system, with cell voltages of 1.57 and 1.83 V at current densities of 1 and 3 A cm⁻² and stable operation under industrial conditions for 1000 h.

近年来，质子交换膜水电解（PEMWE）的研究重点是开发高性能催化剂和膜电极组件（MEAs），以实现低iox负载的PEMWE系统的高效表达。在此，我们报告了一个重要的结果，通过将非晶IrOx簇锚定在Nb2O5载体上，我们能够切换反应途径并优化MEA微环境。具体来说，IrOx/Nb2O5中接近理想的IrIr原子构型和*O和*OH在相邻铱原子上的强耦合强度有助于在酸性OER中直接O*O*自由基耦合形成中间O*O*Ir构型，而不会产生OOH*物质。与IrO2相比，这种结构显著提高了OER Ir质量活性，在1.5 V下从23.1到424.2 A g Ir−1，同时将过电位（@10 mA cm−2）从339降低到190 mV以下。此外，IrOx/Nb2O5催化剂还通过调整低ir负载的催化剂层和Ti多孔传输层界面的能带结构和润湿性，解决了低ir负载的MEA中的电子和质子传输问题。所得到的催化剂在PEMWE系统中实现了超低过电位，在电流密度为1和3 a cm−2时，电池电压分别为1.57和1.83 V，在工业条件下稳定运行1000小时。

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引用次数: 0

Homogenizing bandgap distribution of Sb2(S,Se)3 absorber boosting the efficiency of solar cells to 10.83% Sb2(S,Se)3吸收体的均匀化带隙分布使太阳能电池效率提高到10.83%

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-13 DOI: 10.1016/j.jechem.2025.12.007

Xiaoqi Peng , Rongfeng Tang , Zhiyuan Cai , Zequan Jiang , Zichen Ruan , Shuwei Sheng , Jianyu Li , Yawu He , Shangfeng Yang , Changfei Zhu , Yi Zhang , Tao Chen

Antimony selenosulfide (Sb₂(S,Se)₃) has recently emerged as an attractive thin-film photovoltaic absorber because of its tunable bandgap, excellent optoelectronic properties, and long-term stability. Hydrothermal synthesis using separate Sb, Se, and S precursors enables the direct preparation of ternary Sb₂(S,Se)₃ thin films, and photovoltaic devices with efficiencies above 10% have been reported. However, due to the higher chemical reactivity of selenium compared to sulfur, the incorporation of Se occurs much faster, leading to compositional inhomogeneity with selenide enrichment near the electron transport interface. This reaction characteristic produces a reverse bandgap gradient that is detrimental to charge extraction. In this study, we unveil a kinetic modulation strategy by employing thiourea (TU) as a multifunctional additive to precisely regulate precursor reaction pathways during hydrothermal growth. TU coordinating with SSeO₃²⁻ intermediates generate stable complexes, thereby suppressing uncontrolled selenide release and achieving a balanced Se/S incorporation. This manipulation engenders Sb₂(S,Se)₃ films with homogenized bandgap distributions, well-aligned interfacial energetics, and substantially reduced defect densities. Consequently, the optimized devices attain a power conversion efficiency of 10.83%, representing the state-of-the-art performance for Sb₂(S,Se)₃ photovoltaics. This study establishes a novel method for in situ bandgap homogenization and deepens the synthetic mechanism regarding mixed-anion chalcogenide thin films.

硒化硫化锑（Sb2(S,Se)3）由于其可调谐的带隙、优异的光电性能和长期稳定性，最近成为一种有吸引力的薄膜光伏吸收剂。利用分离的Sb， Se和S前驱体水热合成可以直接制备三元Sb2(S,Se)3薄膜，并且光电器件的效率超过10%。然而，由于硒比硫具有更高的化学反应活性，硒的掺入发生得更快，导致成分不均匀，硒化物在电子传递界面附近富集。这种反应特性产生反向带隙梯度，不利于电荷提取。在这项研究中，我们揭示了一种动力学调节策略，利用硫脲（TU）作为多功能添加剂来精确调节水热生长过程中的前驱体反应途径。TU与SSeO32−中间体配合产生稳定的配合物，从而抑制不受控制的硒化物释放，实现硒/硫的平衡掺入。这种操作产生了Sb2(S,Se)3薄膜，其带隙分布均匀，界面能量排列良好，缺陷密度大大降低。因此，优化后的器件实现了10.83%的功率转换效率，代表了Sb2(S,Se)3光伏电池的最新性能。本研究建立了一种原位带隙均匀化的新方法，深化了混合阴离子硫族化物薄膜的合成机理。

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引用次数: 0

Synergistic p-d hybridization in ultrafine PdInBi/C nanoparticles enabling efficient C–C bond cleavage for ethylene glycol electrooxidation 超细PdInBi/C纳米粒子的协同p-d杂化使乙二醇电氧化中C - C键的有效裂解

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-06 DOI: 10.1016/j.jechem.2025.12.001

Yawei Li , Yuanhang Ma , Arslan Hameed , Xiao Chen , Tingting Fan , Yuyan Tang , Ping Chen , Shoujie Liu , Yi Xiao , Peng Li

The development of highly efficient electrocatalysts for the ethylene glycol oxidation reaction (EGOR) is pivotal to advancing direct ethylene glycol fuel cells (DEGFCs). Herein, we present a one-pot synthesis of ultrafine PdInBi nanoparticles supported on carbon (PdInBi/C NPs), which exhibit superior catalytic properties. The strategic incorporation of indium and bismuth facilitates strong p-d orbital hybridization with palladium, effectively modulating its electronic structure. Meanwhile, the introduction of the oxyphilic bismuth component enhances hydroxide (OH⁻) adsorption on the catalyst surface. Additionally, the ultrafine particle size promotes extensive exposure of active sites, further contributing to the enhanced electrocatalytic performance. In alkaline media, the PdInBi/C catalyst delivers an exceptional mass activity of 15.53 A mg_Pd⁻¹, which is 19.6 times higher than that of commercial Pd/C. Furthermore, it exhibits a remarkable electrochemically active surface area (ECSA) of 90.18 m² g⁻¹ and strong resistance to CO poisoning. Notably, in situ Fourier-transform infrared (FTIR) spectroscopy reveals that PdInBi/C NPs effectively suppress the formation and adsorption of CO intermediates and enhance C1 product selectivity. Theoretical calculations reveal that the tailored electronic structure of PdInBi/C NPs significantly lowers the energy barrier of the rate-determining step in EGOR and enhances C–C bond cleavage efficiency.

开发用于乙二醇氧化反应（EGOR）的高效电催化剂是推进直接乙二醇燃料电池（DEGFCs）发展的关键。在此，我们提出了一锅合成碳负载的超细PdInBi纳米颗粒（PdInBi/C NPs），其具有优异的催化性能。铟和铋的策略性结合促进了与钯的强p-d轨道杂化，有效地调节了其电子结构。同时，亲氧铋组分的引入增强了氢氧化物（OH−）在催化剂表面的吸附。此外，超细颗粒尺寸促进了活性位点的广泛暴露，进一步提高了电催化性能。在碱性介质中，PdInBi/C催化剂的质量活性为15.53 A mgPd−1，是商用Pd/C催化剂的19.6倍。电化学活性表面积（ECSA）为90.18 m2 g−1，具有较强的抗CO中毒能力。值得注意的是，原位傅里叶变换红外（FTIR）光谱显示，PdInBi/C NPs有效抑制CO中间体的形成和吸附，提高了C1产物的选择性。理论计算表明，PdInBi/C NPs的定制电子结构显著降低了EGOR中速率决定步骤的能垒，提高了C - C键的裂解效率。

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引用次数: 0

Large language models for battery prognostics 用于电池预测的大型语言模型

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-22 DOI: 10.1016/j.jechem.2025.11.021

Jingyuan Zhao , Yan Wang , Misheng Cai , Lili Xie , Hewu Wang

Predicting battery health with accuracy and interpretability has become a grand challenge at the intersection of electrochemistry, artificial intelligence, and sustainable energy. Conventional data-driven and physics-based methods remain constrained by nonlinear, coupled, and heterogeneous battery dynamics that limit generalization across chemistries, duty cycles, and environments. Recent breakthroughs in large language models (LLMs) and foundation-model artificial intelligence introduce a paradigm shift—enabling machines to learn from multimodal signals, encode physical laws, and reason adaptively across scales. This review unifies these advances into ten foundational methodologies that delineate the emerging landscape of intelligent battery prognostics: transfer learning, knowledge augmentation, physics-informed and explainable intelligence, ensemble fusion, causal reasoning, continual adaptation, multi-agent coordination, digital-twin coupling, and the pursuit of artificial general intelligence. Together, these dimensions redefine batteries from passive electrochemical devices into cognitive energy systems—self-optimizing, trustworthy, and responsive to uncertainty. Framed within the broader evolution toward Industry 5.0, we chart a roadmap for autonomous battery management that fuses physics, data, and reasoning, establishing artificial intelligence as a scientific and technological cornerstone for the next generation of resilient, adaptive, and sustainable electrification.

准确且可解释地预测电池的健康状况已经成为电化学、人工智能和可持续能源交叉领域的一个巨大挑战。传统的数据驱动和基于物理的方法仍然受到非线性、耦合和异构电池动力学的限制，限制了化学、占空比和环境的通用性。最近在大型语言模型（llm）和基础模型人工智能方面的突破引入了一种范式转换，使机器能够从多模态信号中学习，编码物理定律，并自适应地跨尺度进行推理。这篇综述将这些进展整合为描绘智能电池预测新兴图景的十种基本方法：迁移学习、知识增强、物理信息和可解释智能、集成融合、因果推理、持续适应、多主体协调、数字孪生耦合和对人工通用智能的追求。总之，这些维度将电池从被动电化学设备重新定义为认知能源系统-自我优化，值得信赖，并对不确定性做出反应。在向工业5.0更广泛发展的框架内，我们为自动电池管理绘制了路线图，融合了物理、数据和推理，将人工智能确立为下一代弹性、适应性和可持续电气化的科学和技术基石。

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引用次数: 0

Chemically prelithiation-regulated gradient-structured SEI with mechanical adaptability enables highly stable SiOx anodes for lithium-ion batteries 具有机械适应性的化学前锂化调节梯度结构SEI为锂离子电池提供了高度稳定的SiOx阳极

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-20 DOI: 10.1016/j.jechem.2025.11.019

Shuang Li , Zhan Wang , Qilin Feng , Yun Zheng , Yinan Liu , Chencheng Xu , Zhicheng Ju , Quanchao Zhuang , Jiangmin Jiang , Kai Wu , Huaiyu Shao , Xiaogang Zhang

Silicon oxide (SiO_x) anodes have high energy density but suffer from severe irreversible active lithium loss and large volume changes, leading to low initial Coulombic efficiency (ICE) and an unstable solid electrolyte interphase (SEI), causing inferior cycling stability. Herein, we present a chemically prelithiation-regulated interfacial strategy via chemical prelithiation of SiO_x followed by spontaneous reaction with ZrO(NO₃)₂ reagents to in situ reconstruct SEI on the surface of the SiO_x anode. The designed gradient-structured SEI features an inorganic-rich inner layer (Li₃N/ZrO₂) for ultra-high mechanical strength and fast ion conduction, together with an organic/LiF-rich outer layer for elastic buffering, thereby maintaining the structural integrity of the electrode. This design simultaneously enables thermodynamically driven lithium compensation, the optimized SiO_x anode achieving a high ICE (96.3 %), improved Li⁺ diffusion kinetics and cycling performance. Moreover, a 0.74 Ah pouch full battery with a ZNP-SiO_x anode and NCM811 cathode is assembled and exhibits an exceptional capacity retention of 98.0 % after 50 cycles. This study highlights the essential role of chemical prelithiation and SEI reconstruction engineering in achieving high ICE and stable applicability of LIBs.

氧化硅（SiOx）阳极能量密度高，但不可逆活性锂损失严重，体积变化大，导致初始库仑效率（ICE）低，固体电解质间相（SEI）不稳定，循环稳定性差。在此，我们提出了一种化学预锂化调节的界面策略，通过化学预锂化SiOx，然后与ZrO(NO3)2试剂自发反应，在SiOx阳极表面原位重建SEI。设计的梯度结构SEI具有富无机的内层（Li3N/ZrO2），具有超高的机械强度和快速离子传导，以及富有机/富lif的外层，用于弹性缓冲，从而保持电极的结构完整性。该设计同时实现了热力学驱动的锂补偿，优化后的SiOx阳极实现了高ICE(96.3%)，改善了Li+扩散动力学和循环性能。此外，组装了一个0.74 Ah的负极ZNP-SiOx和负极NCM811的袋状电池，经过50次循环后，其容量保持率达到98.0%。该研究强调了化学预锂化和SEI重建工程在实现lib的高ICE和稳定适用性方面的重要作用。

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引用次数: 0