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Overcoming Small Dataset Issues for Predictive Modelling of Electrochemical Biosensor Data with Synthetic Data Generation 利用合成数据生成技术克服电化学生物传感器数据预测建模中的小数据集问题
IF 6.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-18 DOI: 10.1016/j.electacta.2025.148022
Desmond Kai Xiang Teo, Tomas Maul, Michelle Tien Tien Tan
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引用次数: 0
Engineering zwitterion-functionalized single-ion conducting polymer electrolyte with enhanced ionic conductivity via electrostatic shielding for lithium-ion batteries 通过静电屏蔽增强锂离子电池离子电导率的工程两性离子功能化单离子导电聚合物电解质
IF 6.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-18 DOI: 10.1016/j.electacta.2025.148037
He Xu, Rui Xu, Hongli Teng, Yuhui Zhai, Limei Zheng, Yingzheng Zhu
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引用次数: 0
Synergistic coupling of Iron doped Co-BTC nanospheres with nitrogen and sulphur co-doped reduced graphene oxide as electrocatalyst for efficient oxygen evolution reaction in alkaline medium 铁掺杂Co-BTC纳米球与氮、硫共掺杂还原氧化石墨烯协同偶联作为电催化剂在碱性介质中进行高效析氧反应
IF 6.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-18 DOI: 10.1016/j.electacta.2025.148034
A. Kalaiselvi, N. Durga Sri, T. Maiyalagan
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引用次数: 0
High-Performance Low-Power Photoelectrochemical Photodetector Functionalized by Titanium Diselenide Thin film 二硒化钛薄膜功能化的高性能低功耗光电电化学光电探测器
IF 6.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-18 DOI: 10.1016/j.electacta.2025.148035
Kevin Kantilal Bhanderi, Preet Deepankumar Vyas, Jay Bhadreshbhai Ka. Patel, Devang Dhorada, Akshaybhai J. Patel, Vismay Trivedi, Shubham Umeshkumar Gupta, Franco Mayanglambam, Arun Anand, Kireetkumar D. Patel
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引用次数: 0
Modeling Complex Electrodeposition Morphologies with a Fully Coupled VoF Approach 用全耦合VoF方法模拟复杂电沉积形貌
IF 6.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-18 DOI: 10.1016/j.electacta.2025.148033
A.N. Colli, J. Fransaer
{"title":"Modeling Complex Electrodeposition Morphologies with a Fully Coupled VoF Approach","authors":"A.N. Colli, J. Fransaer","doi":"10.1016/j.electacta.2025.148033","DOIUrl":"https://doi.org/10.1016/j.electacta.2025.148033","url":null,"abstract":"","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"12 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145785397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First-Principles Investigation of Boron-Vacancy Hexagonal Boron Nitride-Supported Transition Metal Single-Atom Catalysts for Electrocatalytic CO2 Reduction Reaction 硼-空位六方氮化硼负载过渡金属单原子催化剂电催化CO2还原反应的第一性原理研究
IF 6.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-18 DOI: 10.1016/j.electacta.2025.148036
Lin Zhu, Huichun Xue, Yitong Chen, An Du
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引用次数: 0
Multiple functional groups anchored Se species prolong long cycling stability for K-Se batteries 多官能团锚定硒元素,延长了钾硒电池的长循环稳定性
IF 5.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-17 DOI: 10.1016/j.electacta.2025.148032
Bo Wang, Yizhuo Cui, Siyu Wu, Zhaojin Li, Huilan Sun, Qujiang Sun, Ranran Li, Di Zhang, Qiujun Wang, Fei Yuan
Potassium-selenium (K-Se) batteries have emerged as the most promising alternatives to lithium-ion energy storage technologies due to their high energy density and cost-effectiveness. However, active Se peeling off from the carbon matrix upon repeated cycling will cause rapid capacity attenuation, leading to a poor cycling lifespan. Herein, a three-dimensional interconnected porous Se/C hybrid material (denoted as Se/TDOC) is constructed with the assistance of NaHCO3 template. Various characterizations demonstrate that the use of NaHCO3 can effectively regulate the pore structure of carbon matrix, resulting in numerous Se species confined with pore channels. Moreover, during the pore regulation process caused by NaHCO3, abundant carbonate groups can be introduced, and as a result these carbonate groups can tightly anchor Se species via chemical bonding, namely Se-C/Se-O bonds. As such, a large number of active Se molecules can precipitate electrochemical reaction without peeling off from the carbon matrix. The optimized sample achieves a high capacity of 435.9 mAh·g-1 at 200 mA·g-1 when used as the cathode. Moreover, it demonstrates remarkable long-term stability by enduring over 2000 cycles even at a high current rate of 2 A·g-1.
钾硒(K-Se)电池因其高能量密度和成本效益而成为锂离子储能技术最有前途的替代品。然而,在重复循环时,从碳基体上剥离的活性硒会导致容量迅速衰减,导致循环寿命较差。本文在NaHCO3模板的辅助下,构建了三维互连多孔Se/C杂化材料(记为Se/TDOC)。各种表征表明,使用NaHCO3可以有效地调节碳基体的孔隙结构,导致大量的Se物种被孔隙通道限制。此外,在NaHCO3引起的孔隙调节过程中,可以引入丰富的碳酸盐基团,这些碳酸盐基团可以通过化学键,即Se- c /Se- o键,牢牢地锚定Se种。因此,大量的活性Se分子可以在不脱离碳基体的情况下析出电化学反应。优化后的样品在200 mA·g-1时可获得435.9 mAh·g-1的高容量。此外,即使在2 a·g-1的高电流速率下,它也能持续2000多次循环,表现出显著的长期稳定性。
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引用次数: 0
Synergistic role of geometry and surface charge in bipolar nanochannels for efficient desalination 几何和表面电荷在双极纳米通道中对高效脱盐的协同作用
IF 5.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-17 DOI: 10.1016/j.electacta.2025.148020
Amir Abbas Nazari, Mahdi Khatibi, Seyed Nezameddin Ashrafizadeh
Global water scarcity continues to drive the development of high-efficiency desalination technologies, yet many existing approaches remain energy-intensive and environmentally burdensome. These challenges motivate the exploration of nanoscale ion-selective systems capable of achieving strong ion rejection with minimal resource consumption. Here, we employ coupled Poisson–Nernst–Planck and Navier–Stokes simulations to investigate the desalination behavior of cylindrical (Type 1) and hourglass (Type 2) nanochannels coated with bipolar pH-responsive weak polyelectrolyte layers (PEL). The system is evaluated under three driving-force scenarios—pressure-driven, voltage-driven, and combined pressure–voltage operation—using monovalent electrolytes (KCl, NaCl, and KNO₃). The combined mode yields the highest salt rejection by enhancing electroosmotic transport while suppressing backflow. The hourglass geometry consistently outperforms the cylindrical channel, delivering at least 10 % higher rejection and reaching nearly 100 % removal under optimal conditions. Increasing the salt concentration from 1 to 10 mM decreases rejection (from 88.0 % to 61.0 % in Type 1 and from 96.2 % to 82.2 % in Type 2) and reduces water flux, with stronger effects for ions with larger hydration radii. Enhancing pH (from 5 to 9) and increasing PEL charge density (from 0 to 100 mol·m⁻³) significantly improve rejection—exceeding 90 % at optimal pH and reaching 96 % at the highest charge density—while altering water flux by <0.2 LMH. Applied pressure substantially increases pure water flux (from 1 to 3 LMH) but has minimal influence on rejection in the cylindrical channel. Conductivity–selectivity analysis confirms that the hourglass nanochannel achieves a more favorable transport trade-off, demonstrating the importance of geometry–charge coupling in designing highly efficient nanofluidic desalination systems.
全球水资源短缺继续推动高效海水淡化技术的发展,但许多现有方法仍然是能源密集型和环境负担。这些挑战激发了对纳米级离子选择系统的探索,该系统能够以最小的资源消耗实现强离子排斥。在这里,我们采用耦合泊松-能-普朗克和纳维-斯托克斯模拟来研究涂有双极性ph响应弱聚电解质层(PEL)的圆柱形(1型)和沙漏形(2型)纳米通道的脱盐行为。该系统使用单价电解质(KCl、NaCl和KNO₃)在三种驱动力场景下进行了评估——压力驱动、电压驱动和压力-电压组合操作。组合模式通过增强电渗透传输而抑制回流产生最高的盐截留。沙漏的几何形状始终优于圆柱形通道,在最佳条件下,其截留率至少高出10%,去除率接近100%。将盐浓度从1 mM增加到10 mM可降低截留率(1型截留率从88.0%降至61.0%,2型截留率从96.2%降至82.2%),并降低水通量,对水化半径较大的离子影响更大。提高pH值(从5到9)和增加PEL电荷密度(从0到100 mol·m⁻³)可以显著改善排毒——在最佳pH值下超过90%,在最高电荷密度下达到96%——同时改变水通量0.2 LMH。施加压力大大增加纯水通量(从1到3 LMH),但对圆柱形通道中的截留影响最小。电导率-选择性分析证实,沙漏纳米通道实现了更有利的输运权衡,证明了几何电荷耦合在设计高效纳米流体淡化系统中的重要性。
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引用次数: 0
Evolution of macrocell and microcell corrosion in concrete subjected to simulated tiding 模拟潮汐作用下混凝土大细胞和微细胞腐蚀演化
IF 5.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-16 DOI: 10.1016/j.electacta.2025.148026
Miha Hren, Tadeja Kosec, Andraž Legat
The aim of this study was to investigate the interaction between macrocell and microcell corrosion processes in a concrete column exposed to tidal conditions simulated by sinusoidal water-level changes. Macrocell corrosion currents were continuously measured for 19 weeks along the column height using coupled multi-electrodes (CMEs). Cumulative corrosion damage and the morphology of corrosion products were analysed using X-ray microCT, SEM, and Raman spectroscopy. The results showed complex patterns of anodic and cathodic activity, including sinusoidal and switch-like current behaviour, which depended on the water level position and exposure time. Corrosion typically initiated in the upper tidal zone, but the most corroded individual electrode was located near mid-tide. Damage distribution was influenced by both microcell and macrocell corrosion, where microcell corrosion was most prevalent in the high-tide area, whereas macrocell activity contributed to corrosion damage in several exposure zones. SEM and Raman analyses confirmed a correlation between corrosion type and corrosion product morphology. An attempt was made to explain the recognised corrosion patterns along the vertical position and the ratios between microcell and macrocell corrosion on individual electrodes were estimated. Additionally, new questions were raised that highlight the complexity of corrosion processes under tidal cycling and emphasise the need for further research into these phenomena.
本研究的目的是研究暴露于正弦水位变化模拟的潮汐条件下混凝土柱中大细胞和微细胞腐蚀过程之间的相互作用。利用耦合多电极(CMEs)沿柱高连续测量了19周的Macrocell腐蚀电流。利用x射线显微ct、扫描电镜和拉曼光谱分析了累积腐蚀损伤和腐蚀产物的形貌。结果显示阳极和阴极活性的复杂模式,包括正弦和开关电流行为,这取决于水位位置和暴露时间。腐蚀通常始于潮上带,但腐蚀最严重的单个电极位于中潮附近。损伤分布受微细胞和大细胞腐蚀的共同影响,其中微细胞腐蚀在涨潮区最为普遍,而大细胞活动则在几个暴露区造成腐蚀损伤。扫描电镜和拉曼分析证实了腐蚀类型和腐蚀产物形态之间的相关性。试图解释沿垂直位置的已知腐蚀模式,并估计了单个电极上微电池和大电池腐蚀之间的比率。此外,还提出了新的问题,强调了潮汐循环下腐蚀过程的复杂性,并强调了对这些现象进行进一步研究的必要性。
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引用次数: 0
Enhancing corrosion resistance of commercially pure titanium by high-speed friction stir processing for biomedical applications 生物医学用高速搅拌摩擦加工提高商业纯钛的耐腐蚀性
IF 5.6 3区 材料科学 Q1 ELECTROCHEMISTRY Pub Date : 2025-12-16 DOI: 10.1016/j.electacta.2025.148027
Ehsan Khajavian , Yasaman Khoshraftaryazdi , Mohammad Hassan Farshidi , Ehsan Mohammadi Zahrani , Ali Davoodi
This study investigates the potential of high-speed friction stir processing (HS-FSP) to enhance the corrosion resistance and electrochemical stability of commercially pure titanium (CP-Ti) for biomedical applications. Unlike Ti-6Al-4 V alloys, which release toxic aluminum and vanadium ions, CP-Ti offers superior biocompatibility but suffers from lower mechanical and corrosion performance. To overcome these limitations, CP-Ti surfaces were modified using HS-FSP with varying pass numbers, and their microstructural, mechanical, and electrochemical properties were evaluated in Hank’s solution at 37 °C. HS-FSP induced severe grain refinement, reducing grain size from 52 µm² to 0.32 µm² after three passes, while microhardness increased from 241 Hv to 537 Hv. Electrochemical tests revealed a significant improvement in corrosion resistance; corrosion current density decreased from 0.25 µA·cm⁻² to 0.02 µA·cm⁻², and impedance rose from 317.81 kΩ·cm² to 811.27 kΩ·cm². Mott–Schottky analysis confirmed a reduction in donor density and an increase in passive film thickness, indicating fewer defects and enhanced barrier properties. These findings demonstrate that HS-FSP not only strengthens CP-Ti but also forms a dense, protective oxide layer, making it a viable, safer alternative to Ti-6Al-4 V for long-term implants. Beyond biomedical applications, this approach offers opportunities in aerospace, marine, and chemical industries where corrosion resistance and mechanical integrity are critical.
本研究探讨了高速搅拌摩擦处理(HS-FSP)在提高商业纯钛(CP-Ti)的耐腐蚀性和电化学稳定性方面的潜力。与释放有毒铝和钒离子的Ti-6Al-4V合金不同,CP-Ti具有优越的生物相容性,但机械和腐蚀性能较低。为了克服这些限制,使用HS-FSP对CP-Ti表面进行了不同通次数的改性,并在37 °C的Hank 's溶液中评估了它们的微观结构、力学和电化学性能。HS-FSP诱导晶粒细化,晶粒尺寸从52 µm²减小到0.32 µm²,显微硬度从241 Hv增加到537 Hv。电化学测试表明,耐腐蚀性显著提高;腐蚀电流密度从0.25 µA·cm⁻²下降到0.02 µA·cm⁻²,阻抗从317.81 kΩ·cm²上升到811.27 kΩ·cm²。Mott-Schottky分析证实了供体密度的降低和钝化膜厚度的增加,表明缺陷的减少和阻隔性能的增强。这些发现表明,HS-FSP不仅可以增强CP-Ti,还可以形成致密的保护性氧化层,使其成为长期植入物中Ti-6Al-4V的可行且更安全的替代品。除了生物医学应用之外,这种方法还为航空航天、海洋和化学工业提供了机会,这些行业的耐腐蚀性和机械完整性至关重要。
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