Electrochimica Acta最新文献_第4页

FeS/Co3S4/Mo2S3 ternary heterojunction nanoflowers regulated by interfacial electronic rearrangement as an efficient bifunctional electrocatalyst for water splitting 界面电子重排调控的FeS/Co3S4/Mo2S3三元异质结纳米花作为水裂解的高效双功能电催化剂

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-20 DOI: 10.1016/j.electacta.2026.148505

Yuying Yang, Qiannan Sun, Daying Xu, Min Zhou, Wenhui Zhang, Yihan Li, Zhongai Hu

In this paper, a FeS/Co₃S₄/Mo₂S₃ ternary heterojunction catalyst featuring a three-dimensional hierarchical nanoflower structure self-assembled from porous nanorods was successfully constructed on nickel foam (NF) by a stepwise hydrothermal synthesis strategy. At the heterointerface, part of the electrons from Co and Mo are transferred to the S atoms, resulting in a decrease in the electron density of the Co and Mo orbitals. Correspondingly, the S atoms that receive electrons from Co/Mo exhibit an increased electron density and further transfer electrons to Fe atoms through Fe‑S bonds (S‑bridges), thereby enhancing the electron density of Fe. This electron rearrangement process, induced by interfacial electronic interactions, optimizes the electronic structure of the electrocatalyst, which significantly enhances charge-transfer efficiency and accelerates the kinetic steps of the electrocatalytic reaction. Ultimately, this leads to a significant enhancement the bifunctional catalytic performance of the catalyst. The optimized catalyst exhibits excellent hydrogen evolution (10 mA cm^-2@31 mV) and oxygen evolution activity (10 mA cm^-2@222 mV) in alkaline medium. When assembled into a symmetrical total water splitting electrolytic cell, it only needs a low voltage of 1.54 V to drive a current density of 10 mA cm^-2, and can maintain excellent stability in a constant current test for up to 200 h. This study not only confirms the great potential of multi-sulfide heterojunctions in electrolyzed water catalysis, but also opens up a multi-dimensional regulation path for the development of a new generation of non-noble metal bifunctional catalysts through the precise linkage design of ''structure-interface-performance''.

采用水热合成法，在泡沫镍（NF）上成功构建了由多孔纳米棒自组装而成的三维层叠纳米花结构的FeS/Co3S4/Mo2S3三元异质结催化剂。在异质界面处，Co和Mo的部分电子转移到S原子上，导致Co和Mo轨道的电子密度降低。相应地，从Co/Mo接收电子的S原子表现出增加的电子密度，并进一步通过Fe - S键（S桥）将电子转移到Fe原子，从而提高了Fe的电子密度。这种由界面电子相互作用诱导的电子重排过程优化了电催化剂的电子结构，显著提高了电荷传递效率，加快了电催化反应的动力学步骤。最终，这导致了催化剂双功能催化性能的显著增强。优化后的催化剂在碱性介质中表现出良好的析氢活性（10 mA cm-2@31 mV）和析氧活性（10 mA cm-2@222 mV）。当组装成一个对称的全水分解电解槽时，只需1.54 V的低电压即可驱动10 mA cm-2的电流密度，并且在恒流测试中可保持200 h的优异稳定性。本研究不仅证实了多硫化物异质结在电解水催化中的巨大潜力，同时也通过“结构-界面-性能”的精确联动设计，为新一代非贵金属双功能催化剂的开发开辟了多维度调控路径。

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引用次数: 0

A coherent eutectic high-entropy alloy with exceptional corrosion resistance 一种具有优异耐腐蚀性的共晶高熵合金

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-14 DOI: 10.1016/j.electacta.2026.148456

Jiayi Zhu , Hongwei Yao , Jibin Pu , Xuezhi Qin , Yudong An , Kai Xu , Quan Shan

Eutectic high-entropy alloys (EHEAs), as promising marine structural materials, are prone to localized corrosion caused by galvanic differences between their constituent phases. This study investigates the relationship between phase composition, microstructure, and corrosion resistance in AlCo_1-xCr_1+xFeNi_2.1 (x = 0, 0.6, 0.8, 1.0) high-entropy alloys (HEAs), focusing on the stability of their passive films. The HEAs were designed via CALPHAD and prepared by vacuum arc melting. Results show that the AlCo_0.2Cr_1.8FeNi_2.1 EHEA exhibits a coherent eutectic microstructure, comprising a composite of a disordered, Cr-rich BCC matrix and ordered B2 precipitates, which together form a nanoscale network. This alloy demonstrates significantly improved corrosion resistance in 3.5 wt.% NaCl solution, with the passive current density reaching 1.76 ± 0.28 µA/cm². The superior corrosion resistance is attributed to two factors: the formation of a stable ∼2.210 nm passive film and a unique nanoscale network structure. This structure modulates microelectrochemical behavior by maintaining an average anodic site spacing of ∼100 nm and a minimal local potential difference of 27 mV, thereby effectively suppressing the initiation and propagation of localized corrosion. This finding presents a novel microstructural design strategy for mitigating galvanic corrosion in EHEAs through the construction of a nanoscale network that modulates its intrinsic micro-electrochemical properties.

共晶高熵合金（EHEAs）是一种很有前途的海洋结构材料，由于其组成相之间的电流差异，容易引起局部腐蚀。本文研究了高熵合金(AlCo1-xCr1+xFeNi2.1 （x = 0,0.6,0.8,1.0）的相组成、微观结构和耐蚀性之间的关系，重点研究了其钝化膜的稳定性。利用CALPHAD设计了HEAs，并采用真空电弧熔炼法制备了HEAs。结果表明，AlCo0.2Cr1.8FeNi2.1 EHEA呈现出一种共晶结构，由无序的富cr BCC基体和有序的B2析出相组成，并形成纳米级网络。该合金在3.5 wt.% NaCl溶液中的耐蚀性显著提高，无源电流密度达到1.76±0.28µA/cm2。优异的耐腐蚀性归因于两个因素：形成稳定的~ 2.210 nm钝化膜和独特的纳米级网络结构。这种结构通过维持平均阳极位置间距为~ 100 nm和最小局部电位差为27 mV来调节微电化学行为，从而有效抑制局部腐蚀的发生和扩展。这一发现提出了一种新的微结构设计策略，通过构建纳米级网络来调节其固有的微电化学特性，从而减轻EHEAs中的电偶腐蚀。

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引用次数: 0

Controllable synthesis of grape-shaped manganese tetroxide and its sensitive detection of nitrite in food and water analyses 葡萄状四氧化二锰的可控合成及其对食品和水中亚硝酸盐的灵敏检测分析

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-10 DOI: 10.1016/j.electacta.2026.148430

Zhenyu Cheng, Youfei Sun, Yajie Liu, Xinyi Huang, Rongze Zhou, Zhijun Li, Xiaoxia Wei, Haiyan Song

A unique three-dimensional grape-shaped manganese tetroxide (gs-Mn₃O₄) nanomaterial was synthesized using a simple one-pot hydrothermal method. The microstructure and physicochemical properties of Mn₃O₄ varied depending on the solvent type, synthesis temperature, and reaction time. Results indicated that the resulting gs-Mn₃O₄ exhibited excellent catalytic activity toward nitrite ions (NO₂⁻) when the volume ratio of ethylene glycol to purified water was 1:7, the reaction duration was 6 h and the reaction temperature was 120 °C. The electrochemical sensor fabricated with such material demonstrated a wide linear detection range of 0.2 - 1.18 × 10³ μmol·L^-1 for NO₂⁻, with a corresponding detection limit of 0.067 μmol·L^-1 and a sensitivity of 0.33 µA·(μmol·L^-1)^-1·cm^-2. Moreover, the sensor is capable of effectively identifying trace levels of NO₂⁻ in tap water, pickled vegetables, and ham sausage, offering both a perspective and an approach toward developing more sensitive electrochemical sensors for nitrite.

采用简单的一锅水热法制备了一种独特的三维葡萄状四氧化二锰（gs-Mn3O4）纳米材料。Mn3O4的微观结构和理化性质随溶剂类型、合成温度和反应时间的不同而变化。结果表明，当乙二醇与纯净水的体积比为1:7，反应时间为6 h，反应温度为120℃时，所得的gs-Mn3O4对亚硝酸盐（NO₂⁻）具有良好的催化活性。用该材料制作的电化学传感器对NO₂⁻的线性检测范围为0.2 ~ 1.18 × 103 μmol·L-1，检测限为0.067 μmol·L-1，灵敏度为0.33 μ a·（μmol·L-1）-1·cm-2。此外，该传感器能够有效地识别自来水，腌菜和火腿肠中的痕量NO₂⁻，为开发更灵敏的亚硝酸盐电化学传感器提供了一个视角和方法。

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引用次数: 0

Tailoring tin electrodeposits in deep eutectic solvents. Electrodeposition on glassy carbon and copper electrodes in oxaline 在深共晶溶剂中裁剪锡电沉积。在草碱中沉积玻碳和铜电极

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-23 DOI: 10.1016/j.electacta.2026.148520

S. Tsunoda , L.A. Azpeitia , M.J. Rodríguez Presa , C.A. Gervasi , A.E. Bolzán

The formation of Sn films in acid media using a deep eutectic solvent was studied. For this purpose, a mixture of choline chloride and oxalic acid was used and glassy carbon and polycrystalline copper electrodes employed. From voltammetric and chronoamperometric runs the electrodeposition process was characterized as diffusion-controlled with a

D

(Sn(II)) =

6.04 \times 1 0^{- 7}

cm

^{2}

s

^{- 1}

, being the initial stage an instantaneous nucleation followed by a 3D growth. Depending on the substrate, the electrodeposition process occurs under overpotential (GC) or underpotential + overpotential (Cu) conditions. Different morphologies are obtained depending on the nature of the substrate and the potentiostatic and galvanostatic routines applied. Images from constant potential electrodeposition show the formation of well-dispersed tetrahedral pyramidal crystals on the GC surface and faceted particles with two preferred sizes on Cu. At high overpotentials, letter-shaped crystals form on GC, and fairly compact films are produced on Cu. Galvanostatic square wave routines allow to obtain different morphologies and size distributions of Sn deposits, depending on the current density, the on/off time ratio and the perturbation application time. Well dispersed nanometric to complex tetrahedral micrometric particles are formed on GC electrodes. On the other hand, the diffusion of Sn atoms into the Cu lattice precludes the formation of low density nanometric particles. In this case low density deposits of micrometric particles and compact films consisting of particles of few hundreds of nanometres in size can be obtained depending on the characteristics of the galvanostatic routine.

研究了用深共晶溶剂在酸性介质中形成锡薄膜。为此，使用氯化胆碱和草酸的混合物，并使用玻碳和多晶铜电极。从伏安和时安的角度来看，电沉积过程的特征是扩散控制，D(Sn(II)) = 6.04×10−7 cm2 s−1，是初始阶段，瞬时成核，随后是三维生长。根据衬底的不同，电沉积过程发生在过电位（GC）或欠电位+过电位（Cu）条件下。根据衬底的性质和应用的恒电位和恒流程序，可以获得不同的形态。恒电位电沉积图像显示，GC表面形成了分散良好的四面体锥体晶体，Cu表面形成了两种优选尺寸的多面颗粒。在高过电位下，GC表面形成字母状晶体，Cu表面形成相当致密的薄膜。恒流方波程序允许根据电流密度、开/关时间比和摄动应用时间获得不同的锡矿床形态和尺寸分布。在气相色谱电极上形成了分散良好的纳米到复杂的四面体微米颗粒。另一方面，锡原子在Cu晶格中的扩散阻止了低密度纳米粒子的形成。在这种情况下，根据恒流常规的特性，可以获得微米级颗粒的低密度沉积物和由几百纳米大小的颗粒组成的致密薄膜。

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引用次数: 0

Synergistic theoretical and experimental investigation of NiFe2O4-polypyrrole composite for energy storage application nife2o4 -聚吡咯复合储能材料的协同理论与实验研究

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-12 DOI: 10.1016/j.electacta.2026.148445

Ajay Kumar , Prashant Kumar , Sandeep K. Soni , Mohan L. Verma , Gagan Dixit

In this study, nickel ferrite/polypyrrole composites were synthesized through in-situ oxidative polymerization to analyze their applicability as an electrode material for supercapacitors. The structural, morphological, and electrochemical properties of the synthesized material have been thoroughly investigated. The electrochemical characterizations have shown that the N5PY5 (50–50 wt%) composite of nickel ferrite and polypyrrole has a specific capacitance of 503.3 F/g at 2 A/g in 6 M KOH, which is three times higher than pure nickel ferrite. The value of solution resistance and charge transfer resistance is also reduced for the composite in comparison to pure nickel ferrite. The enhanced electrochemical performance of the composite electrode was explained on the basis of the synergistic effect between the polypyrrole and nickel ferrite. Polypyrrole acts as a conductive support, provides additional active sites, and improves redox activity and diffusion in the composite electrode. Theoretical analysis using DFT calculation was also employed to analyze the interaction mechanism between the polypyrrole and nickel ferrite. The high adsorption energy (-2.6 eV) and covalent bonding between oxygen and carbon indicated a strong interaction between the nickel ferrite and pyrrole’s dimer. Consequently, the composite electrode shows improved stability (88.6 %) as compared to polypyrrole (38.6 %) after 1000 cycles of charging and discharging.

本研究通过原位氧化聚合法制备了镍铁氧体/聚吡咯复合材料，分析了其作为超级电容器电极材料的适用性。对合成材料的结构、形态和电化学性能进行了深入的研究。电化学表征表明，由铁酸镍和聚吡咯组成的N5PY5（重量50% - 50%）复合材料在2m KOH条件下的比电容为503.3 F/g，是纯铁酸镍的3倍。与纯镍铁氧体相比，该复合材料的溶液电阻和电荷转移电阻也降低了。聚吡咯与铁氧体镍之间的协同作用解释了复合电极电化学性能的增强。聚吡咯作为导电支撑，提供额外的活性位点，并改善复合电极的氧化还原活性和扩散。利用DFT计算理论分析了聚吡咯与铁氧体镍的相互作用机理。高吸附能（-2.6 eV）和氧与碳之间的共价键表明铁酸镍与吡咯二聚体之间存在强烈的相互作用。因此，在1000次充放电循环后，与聚吡咯（38.6%）相比，复合电极的稳定性提高了88.6%。

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引用次数: 0

Highly sensitive electrochemical immunosensor for the detection of Beta-2-microglobulin based on ternary composite polyaniline/poly-L-cysteine/molybdenum disulfide 基于三元复合聚苯胺/聚l -半胱氨酸/二硫化钼的高灵敏度电化学免疫传感器检测β -2微球蛋白

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-17 DOI: 10.1016/j.electacta.2026.148460

Zhen-Fu Lin , Yu-Qi Ge , Yu-Zhu Zhao , Mei-Na Chen , Hao Li , Nai-Cui Liu , Zhencheng Chen , Guo-Cheng Han , Xiao-Zhen Feng , Heinz-Bernhard Kraatz

Beta-2-Microglobulin (β2M) is a critical biomarker for diseases such as kidney disorders and cancer. However, electrochemical detection methods for β2M remain scarce. Therefore, a novel electrochemical immunosensor for the ultrasensitive detection of β2M was developed in this study. It is based on a ternary composite of polyaniline (PANI), poly-l-cysteine (PL-Cys), and molybdenum disulfide (MoS₂) functionalized onto screen-printed carbon electrodes (SPCE). Through the specific recognition between Beta2-microglobulin antibody (anti-β2M) and its target antigen, and utilizing bovine serum albumin (BSA) to block non-specific binding sites, a BSA/anti-β2M/PANI/PL-Cys/MoS₂/SPCE immunosensor was constructed. Experimental results demonstrate that the sensor exhibits excellent linearity within the 0.001–500 ng/mL (R²=0.9924), with a detection limit as low as 0.33 pg/mL. It shows outstanding selectivity (RSD=2.69%), repeatability (RSD=0.74%), and long-term stability (30-day RSD=2.64%). Recovery rates in serum samples range from 100.40% to 103.76%, confirming its reliability in complex biological matrices. The sensor combines the signal amplification effect of the conductive substrate (PANI/L-Cys/MoS₂) with the impedance effect of the insulating biological layer (antibody-antigen complex), utilizing the quantitative relationship between target analyte concentration and signal attenuation to achieve detection. This approach provides an efficient and low-cost new strategy for on-site rapid screening.

β -2-微球蛋白（β2M）是肾脏疾病和癌症等疾病的重要生物标志物。然而，电化学检测β2M的方法仍然很少。因此，本研究开发了一种用于β2M超灵敏检测的新型电化学免疫传感器。它是基于聚苯胺（PANI），聚l -半胱氨酸（PL-Cys）和二硫化钼（MoS 2）功能化在丝网印刷碳电极（SPCE）上的三元复合材料。通过β2 -微球蛋白抗体（抗β 2m）与靶抗原的特异性识别，利用牛血清白蛋白（BSA）阻断非特异性结合位点，构建了BSA/抗β 2m /PANI/PL-Cys/MoS 2 /SPCE免疫传感器。实验结果表明，该传感器在0.001 ~ 500 ng/mL范围内具有良好的线性关系（R²=0.9924），检出限低至0.33 pg/mL。选择性（RSD=2.69%）、重复性（RSD=0.74%）、长期稳定性（30天RSD=2.64%）良好。血清样品的回收率为100.40% ~ 103.76%，证实了该方法在复杂生物基质中的可靠性。该传感器将导电衬底（PANI/L-Cys/MoS 2）的信号放大效应与绝缘生物层（抗体-抗原复合物）的阻抗效应相结合，利用目标分析物浓度与信号衰减之间的定量关系实现检测。该方法为现场快速筛选提供了高效、低成本的新策略。

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引用次数: 0

Electrochromic behavior of dimethyl terephthalate in ionic liquids-based quasi-solid matrices 离子液体基准固体基质中对苯二甲酸二甲酯的电致变色行为

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-18 DOI: 10.1016/j.electacta.2026.148464

Tehreema Naeem, Neus Vilà, Jordi Hernando, Gonzalo Guirado

This study reports a solid-state electrochromic device (ECD) based on dimethylterephthalate (DMT), demonstrating high stability and low operating voltage on both rigid and flexible substrates. DMT molecules were incorporated into a poly(vinylidene fluoride-co-hexafluoropropylene) ionogel (IG) using ionic liquids as environmentally friendly electrolytes. Cyclic voltammetry and in-situ spectroelectrochemistry were employed to investigate the electrochromic mechanism in the DMT@IG system. An ECD with two electrodes was fabricated on ITO-coated glass, operating at a low potential difference of 2 V, with bleaching times of 2.06 s, coloration times of 5.92 s, an optical contrast of 21%, and a color efficiency of 147.7 cm² C⁻¹. The device maintained stability for up to 30 cycles. Furthermore, a flexible three-electrode configuration with a DMT@IG membrane was designed, confirming DMT's potential as an advantageous material for low-voltage electrochromic and flexible display applications.

本研究报道了一种基于对苯二甲酸二甲酯（DMT）的固态电致变色器件（ECD），在刚性和柔性衬底上都表现出高稳定性和低工作电压。使用离子液体作为环保电解质，将DMT分子掺入聚偏氟乙烯-共六氟丙烯离子凝胶（IG）中。采用循环伏安法和原位光谱电化学对DMT@IG体系的电致变色机理进行了研究。在ito镀膜玻璃上制备了双电极ECD，在2 V的低电差下工作，漂白时间为2.06秒，着色时间为5.92秒，光学对比度为21%，显色效率为147.7 cm²C⁻¹。该设备保持了长达30个周期的稳定性。此外，设计了具有DMT@IG膜的柔性三电极结构，证实了DMT作为低压电致变色和柔性显示应用的有利材料的潜力。

引用次数: 0

Synergistic modification and advanced processing: high-performance Na2+2xFe2-x(SO4)3 cathodes enabled by spray-drying and CNTs/Mg2+ co-strategy 协同改性和高级加工：通过喷雾干燥和CNTs/Mg2+协同策略实现高性能Na2+2xFe2-x(SO4)3阴极

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-21 DOI: 10.1016/j.electacta.2026.148511

Lei Ming , Xizhao Wang , Lang Zhao , Xuan Long , Yun Yu , Xinyou He , Xiangdong Zhu , Zhen Yao , Wei Xu , Xing Ou

Low-cost iron-based polyanion cathode materials serve as an integral part of sodium-ion batteries (SIBs) that efficiently address today's energy challenges driving the transition toward cleaner and more affordable energy storage solutions. Unfortunately, these materials often suffer from poor electronic conductivity and difficulty in preparing pure phases, which constrains their large-scale application. Hence, we constructed carbon nanotubes (CNTs) incorporation and Mg²⁺ doping Na_2+2xFe_2−x(SO₄)₃ materials by spray-drying and low-temperature sintering processes. This modification not only facilitated the preparation of a pure phase but also significantly reduced electrode polarization, including the voltage hysteresis and lattice stress during cycling. Consequently, the as-prepared cathode achieved a specific capacity of 92.3 mAh/g at 0.1 C and demonstrated excellent capacity retention of 97.84% (at 10C) and 76.96% (at 20C) after 1000 cycles. Importantly, the material exhibited a highly reversible single-phase solid solution sodium storage mechanism; furthermore, Mg²⁺ doping effectively suppressed both the irreversible Fe³⁺ migration and the excessive contraction-relaxation of Fe₂O₁₀ dimers. This work demonstrated an effective strategy for the practical application of NFS-based cathodes in SIBs.

低成本的铁基聚阴离子正极材料是钠离子电池（sib）的一个组成部分，它有效地解决了当今的能源挑战，推动了向更清洁、更经济的能源存储解决方案的过渡。不幸的是，这些材料通常存在电子导电性差和制备纯相困难的问题，这限制了它们的大规模应用。因此，我们通过喷雾干燥和低温烧结工艺构建了CNTs掺杂和Mg2+掺杂的Na2+2xFe2−x(SO4)3材料。这种修饰不仅促进了纯相的制备，而且显著降低了电极极化，包括循环过程中的电压滞后和晶格应力。因此，制备的阴极在0.1 C时的比容量达到92.3 mAh/g，并且在1000次循环后的容量保持率为97.84% （10C）和76.96% （20C）。重要的是，该材料表现出高度可逆的单相固溶钠储存机制；此外，Mg2+的掺杂有效抑制了Fe2O10二聚体的不可逆迁移和过度收缩弛豫。这项工作为基于nfs的阴极在sib中的实际应用提供了一种有效的策略。

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引用次数: 0

Electrodeposited V2O5·nH2O Thin film with superior Mg2+ storage and electrochromic properites 具有优异Mg2+存储和电致变色性能的电沉积V2O5·nH2O薄膜

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-15 DOI: 10.1016/j.electacta.2026.148457

Yuancheng Yao , Jinhuan Yao , Jiqiong Jiang , Xin Tang , Jianwen Yang , Yanwei Li

Developing bifunctional materials with concurrent electrochromic and electrochemical energy storage capabilities is crucial for advancing the construction of energy-saving smart windows, smart sensors, implanted displays, and electronic skins. Herein, a layered V₂O₅·nH₂O thin film is fabricated through a facile electrodeposition method with V₂O₅ sol as electrolyte, and its Mg²⁺storage and electrochromic performances are explored for the first time. This layered V₂O₅ film exhibits outstanding Mg²⁺ storage performance, delivering an areal specific capacity of 17 μAh cm⁻² at 0.5 mA cm⁻², showing no capacity decay during 500 cycles, and exhibiting superior rate performance. It achieves an optical contrast (ΔT) of 64.63 % at 769 nm wavelength (between orange-red and dark green) and a rapid switching speed. Notably, the color transition exhibits a distinct potential dependence and high optical distinguishability: it reversibly switches between green, orange, and red hues at discrete potential points during the electrochemical cycling process. The structure/performance relationship of the film is analyzed via in situ Raman, ex situ XRD, XPS, and DFT calculations. This study provides clues for developing Mg²⁺-intercalation-based electrochromic energy storage bifunctional materials.

开发同时具有电致变色和电化学储能能力的双功能材料对于推进节能智能窗、智能传感器、植入式显示器和电子皮肤的建设至关重要。本文以V2O5溶胶为电解液，采用简易电沉积法制备了V2O5·nH2O层状薄膜，并首次对其Mg2+存储性能和电致变色性能进行了研究。该层状V2O5薄膜具有优异的Mg2+存储性能，在0.5 mA cm−2下的面比容量为17 μAh cm−2，在500次循环中没有容量衰减，具有优异的速率性能。它在769 nm波长（介于橙红色和深绿色之间）实现了64.63%的光学对比度（ΔT）和快速的切换速度。值得注意的是，颜色过渡表现出明显的电位依赖性和高光学可分辨性：在电化学循环过程中，它在离散的电位点上可逆地在绿色、橙色和红色之间切换。通过原位拉曼、非原位XRD、XPS和DFT计算分析了膜的结构/性能关系。该研究为开发基于Mg2+插层的电致变色储能双功能材料提供了线索。

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引用次数: 0

Neural network approach for predicting and interpreting specific capacitance in heteroatom-doped graphene supercapacitors 预测和解释杂原子掺杂石墨烯超级电容器比电容的神经网络方法

IF 5.6 3区材料科学 Q1 ELECTROCHEMISTRY

Electrochimica Acta

Pub Date : 2026-05-01 Epub Date: 2026-02-18 DOI: 10.1016/j.electacta.2026.148490

Muhammad Ishtiaq , Hong JaeYong , Kwon-Koo Cho , Sung-Gyu Kang , Jaekyung Sung , N.S. Reddy

Heteroatom-doped graphene supercapacitors have attracted considerable attention owing to their high specific capacitance, excellent rate capability, and superior cycling stability. In this study, an artificial neural network (ANN) model was developed to predict the specific capacitance (F g^-1) of heteroatom-doped graphene electrodes based on a dataset comprising 646 data points collected from 55 published studies. Eight input parameters were considered, including the nature of the electrolyte (acidic or basic, represented by binary encoding: 0 = absent, 1 = present), specific surface area (m² g^-1), Raman intensity ratio (I_D/I_G), nitrogen content (N%), oxygen content (O%), sulfur content (S%), and current density (A g^-1). The optimized ANN architecture (8–36–36–36–1) achieved a low root mean square error (RMSE = 0.0002) and a high coefficient of determination (R² = 0.85) for the testing dataset. Single- and two-variable sensitivity analyses were carried out to elucidate the individual and combined effects of structural and electrochemical variables on capacitance. Furthermore, quantitative estimations and an index of relative importance (I_RI) were employed to rank variable influence, providing interpretability and physical insight. The developed ANN-GUI framework enables accurate prediction and mechanistic understanding of heteroatom-doped graphene supercapacitor behavior, offering a powerful tool for the rational design of next-generation energy storage materials.

杂原子掺杂石墨烯超级电容器因其高比电容、优异的倍率性能和优异的循环稳定性而备受关注。在这项研究中，基于55项已发表的研究中收集的646个数据点的数据集，开发了一个人工神经网络（ANN）模型来预测杂原子掺杂石墨烯电极的比电容（F -1）。考虑了8个输入参数：碱类型、酸类型、比表面积（m2 g-1）、拉曼强度比（ID/IG）、氮含量（N%）、氧含量（O%）、硫含量（S%）和电流密度（A g-1）。优化后的ANN结构（8-36-36- 1）对测试数据集具有较低的均方根误差（RMSE = 0.0002）和较高的决定系数（R² = 0.85）。进行了单变量和双变量敏感性分析，以阐明结构变量和电化学变量对电容的单独和联合影响。此外，采用定量估计和相对重要性指数（IRI）对变量影响进行排名，提供可解释性和物理洞察力。所开发的ANN-GUI框架能够准确预测和机理理解杂原子掺杂石墨烯超级电容器的行为，为下一代储能材料的合理设计提供了有力的工具。

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