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Glassy carbon electrode modified by hydroxyapatite/β-cyclodextrin hybrid material for the sensitive detection and electroanalysis of methylene blue in water samples 羟基磷灰石/β-环糊精杂化材料修饰的玻碳电极用于水样中亚甲基蓝的灵敏检测和电分析
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-18 DOI: 10.1007/s10008-025-06434-7
Guy Bertrand Piegang Ngassa, Jules Leuna Mabou, Martin Pengou, Gérard Pierre Tchieta, Rodrigue Tchoffo, Dieudonné Bidiassi, Suzanne Makota, Ignas Kenfack Tonle, Emmanuel Ngameni

This work describes the implementation of a low-cost, robust, and sensitive sensor for the efficiency and rapid electrochemical detection of traces of methylene blue (MB) in contaminated aqueous media. An organohydroxyapatite (OHAP) hybrid material was prepared by cross-linking grafting β-cyclodextrin (β-CD) with citric acid (CA) at the surface of an impregnated natural hydroxyapatite (HAPI). The structural characterization of HAPI and OHAP materials was performed using SEM–EDX. Thin films of different materials were deposited on the surface of a glassy carbon electrode (GCE); their surface charge and permeability were evaluated by multisweep cyclic voltammetry using [Fe(CN)6]3−/4− and [Ru(NH3)6]3+/2+ as redox probe systems. The electrochemical behavior of MB on the GCE modified by a film of HAPI or OHAP was also studied by cyclic voltammetry. As with [Ru(NH3)6]3+ ions, the cyclic voltammograms obtained showed that MB molecules are quantitatively and progressively accumulated on OHAP thin film. Then, the GCE/OHAP electrode was exploited to build a sensitive sensor for the detection of MB. In comparison with the bare GCE, the GCE/OHAP exhibited more sensitive electrochemical response toward MB. Under optimized conditions, a calibration curve was obtained in the large concentration range from 5.0 × 10–8 to 400.0 × 10–8 mol L−1, leading to a limit of detection of 2.15 × 10–9 mol L−1 (S/N = 3). The developed sensor GCE/OHAP was successfully applied to the electroanalytical sensitive quantification of MB in environmental water samples, such as spring water, river water, and well water.

Graphical Abstract

这项工作描述了一种低成本,坚固,灵敏的传感器的实现,用于高效和快速的电化学检测污染水介质中痕量亚甲基蓝(MB)。将β-环糊精(β-CD)与柠檬酸(CA)在浸渍的天然羟基磷灰石(HAPI)表面交联接枝,制备了有机羟基磷灰石(OHAP)杂化材料。利用SEM-EDX对HAPI和OHAP材料进行了结构表征。在玻璃碳电极(GCE)表面沉积不同材料的薄膜;以[Fe(CN)6]3−/4−和[Ru(NH3)6]3+/2+为氧化还原探针体系,用多扫描循环伏安法评价了它们的表面电荷和渗透率。用循环伏安法研究了MB在HAPI或OHAP改性的GCE上的电化学行为。与[Ru(NH3)6]3+离子一样,得到的循环伏安图表明,MB分子在OHAP薄膜上定量地、渐进地积累。在此基础上,利用GCE/OHAP电极建立了检测MB的灵敏传感器,与裸GCE电极相比,GCE/OHAP电极对MB的电化学响应更为灵敏。在优化条件下,在5.0 × 10-8 ~ 400.0 × 10-8 mol L−1的大浓度范围内获得了校准曲线,检测限为2.15 × 10-9 mol L−1 (S/N = 3)。所研制的传感器GCE/OHAP已成功应用于泉水、河水、井水等环境水样中MB的电分析灵敏定量。图形抽象
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引用次数: 0
The electrochemical performance of Cu2+-doped Na0.44MnO2 cathode material for aqueous sodium-ion battery Cu2+掺杂Na0.44MnO2水溶液钠离子电池正极材料的电化学性能
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-17 DOI: 10.1007/s10008-025-06440-9
Jintao Ma, Weiqi Li, Huan He, Donglou Ren, Tianquan Liang

Aqueous sodium-ion batteries (ASIBs) are promising for large-scale energy storage due to their cycling stability, safety, and environmental friendliness. However, ​structural instability of cathode materials limits cycle life, while the narrow electrochemical window constrains energy density. In this work, tunnel-type Cu-doped Na0.44MnO2 was synthesized via a high-temperature solid-state method. Cu doping suppresses Jahn–Teller (J-T) distortion by reducing the formation of J-T active Mn3+ and strengthening Mn–O bonds, ​thereby enhancing structural stability and extending cycle life​. Simultaneously, Cu doping expands Na⁺ diffusion channels, mitigating irreversible strain and suppressing voltage decay​ during cycling. Na0.44Mn0.95Cu0.05O2 exhibits ​outstanding long-term cycling stability (99.5–100% capacity retention after 2000 cycles at 5 C) and ​superior rate capability. The Na⁺ diffusion coefficient reaches 7.04 × 10−12 cm2 s−1, nearly an order of magnitude higher than that of undoped Na0.44MnO2 (8.89 × 10−13 cm2 s−1). The mechanisms of Cu doping in stabilizing lattice dynamics and ion transport are systematically discussed.

水钠离子电池(asib)由于其循环稳定性、安全性和环境友好性,在大规模储能方面具有广阔的应用前景。然而,阴极材料的结构不稳定性限制了循环寿命,而狭窄的电化学窗口限制了能量密度。本文采用高温固相法合成了隧道型cu掺杂Na0.44MnO2。Cu掺杂通过减少J-T活性Mn3+的形成和增强Mn-O键来抑制J-T (J-T)畸变,从而提高结构稳定性和延长循环寿命。同时,Cu掺杂扩展了Na⁺的扩散通道,减轻了不可逆应变,抑制了循环过程中的电压衰减。Na0.44Mn0.95Cu0.05O2具有优异的长期循环稳定性(在5℃下循环2000次后容量保持率为99.5-100%)和优异的倍率性能。Na⁺的扩散系数达到7.04 × 10−12 cm2 s−1,比未掺杂的Na0.44MnO2 (8.89 × 10−13 cm2 s−1)高出近一个数量级。系统地讨论了Cu掺杂在稳定晶格动力学和离子输运中的作用机理。
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引用次数: 0
Polypyrrole-derived nitrogen-doped carbon-coated nanosilicon/graphite composite with enhanced cyclic stability as anode materials for lithium-ion battery 聚吡咯衍生的氮掺杂碳包覆纳米硅/石墨复合材料作为锂离子电池负极材料
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-16 DOI: 10.1007/s10008-025-06433-8
Yanlu Lv, Weichao Zhang, Weibing Lv, Wenping Liu, Xiaoxu Lei, Haiqing Qin

Silicon-carbon composite anode materials have been widely considered for their high theoretical capacity and good cycle performance. Even though, polypyyrole, a conductive polymer, exhibits poor lithium storage performance, it can be used as both a carbon source and a nitrogen source for material carbonization and doping. This study aimed to synthesize a nitrogen-doped carbon-coated silicon/graphite (NC@Si/G) composite Anode material by high-temperature carbonization. Nitrogen-doped carbon layer is An effective way to address the ill-effect of polypyrrole in the electrode performance, and additionally, it acts synergistically with the graphite core, which inhibits volumetric expansion in silicon to produce a negative effect on the electrode performance. This two-fold task increases the cycling abilities and electrical conductivity of the anode material. The composite particles show an initial discharge specific capacity of 676.45 mAh g−1 And 91.1 percent capacity remaining after 130 cycles with 6 wt% of nitrogen-doped carbon additions. This paper focuses on the cyclic stability performance enhancement mechanism of nitrogen-doped silicon-based anode materials, inspiring novel perspectives for preparing anode materials.

硅碳复合负极材料以其较高的理论容量和良好的循环性能而受到广泛的关注。聚吡咯是一种导电聚合物,虽然其锂存储性能较差,但它可以作为碳源和氮源用于材料碳化和掺杂。本研究旨在通过高温碳化法制备氮掺杂碳包覆硅/石墨(NC@Si/G)复合负极材料。氮掺杂碳层是解决聚吡咯对电极性能不良影响的有效途径,此外,它与石墨芯协同作用,抑制硅中的体积膨胀,从而对电极性能产生负面影响。这一双重任务增加了循环能力和阳极材料的导电性。复合粒子的初始放电比容量为676.45 mAh g−1,在添加6 wt%的氮掺杂碳的情况下,经过130次循环后,其放电比容量仍为91.1%。本文重点研究了氮掺杂硅基负极材料的循环稳定性能增强机理,为负极材料的制备提供了新的思路。
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引用次数: 0
From bath to barrier: the role of citrate in engineering corrosion-resistant Zn-Sn alloy coatings 从浴槽到屏障:柠檬酸盐在工程耐蚀Zn-Sn合金涂层中的作用
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-12 DOI: 10.1007/s10008-025-06437-4
Bouderbala Ibrahim Yaacoub, Herbadji Abdelmadjid, Benidir Sofiane, Madani Ahmed, Sobhi Nour El Houda, Aitbara Adel, Rabhi Selma, Khellaf Noureddine

Zn-Sn alloy coatings are attractive for protecting mild steel due to the barrier effect of Sn and the sacrificial nature of Zn. This study explores the use of sodium citrate as a complexing agent to enhance the performance of Zn-Sn electrodeposited coatings. Coatings were deposited on mild steel using electrolytes with varying citrate concentrations (bath 1 to 4), and analyzed using cyclic voltammetry (CV), scanning electron microscopy (SEM), Tafel polarization and electrochemical impedance spectroscopy (EIS). The results show that 0.1 M citrate significantly improved the surface morphology, leading to more uniform coatings with fewer visible defects. Electrochemical tests revealed a 70% decrease in corrosion current density, and EIS confirmed enhanced barrier properties, which may be attributed to the presence of oxide phases formed on the coating surface. These findings highlight the effectiveness of citrate in producing corrosion-resistant Zn-Sn coatings suitable for chloride-rich environments.

Graphical abstract

由于锡的阻隔作用和锌的牺牲性质,锌锡合金涂层在保护低碳钢方面具有很大的吸引力。本研究探讨了柠檬酸钠作为络合剂来提高锌锡电沉积镀层的性能。采用不同柠檬酸盐浓度的电解质(1 ~ 4)在低碳钢上沉积涂层,并使用循环伏安法(CV)、扫描电镜(SEM)、塔菲尔极化和电化学阻抗谱(EIS)对涂层进行分析。结果表明,0.1 M柠檬酸盐显著改善了镀层的表面形貌,镀层更加均匀,可见缺陷更少。电化学测试表明,腐蚀电流密度降低了70%,EIS证实了屏障性能的增强,这可能是由于涂层表面形成的氧化相的存在。这些发现强调了柠檬酸盐在生产适合于富氯化物环境的耐腐蚀Zn-Sn涂层中的有效性。图形抽象
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引用次数: 0
Tailoring of an electrochemical sensor using a 2D/3D ternary nanocomposite for selective detection of tetracycline 使用2D/3D三元纳米复合材料定制用于选择性检测四环素的电化学传感器
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-11 DOI: 10.1007/s10008-025-06429-4
Latiful Kabir, Young Jun Joo, Kwang Youn Cho, Won-Chun Oh

To combat antibiotic resistance and ensure food quality, the detection of tetracycline (TC) is essential. This study describes the fabrication of a TC sensor using an electrochemical approach based on a 3D (NiS and SiO2) composite combined with 2D graphene. Furthermore, the synthesized materials were coated onto a nickel foam electrode, which exhibits excellent conductivity, large surface area, and mechanical strength, thereby enhancing electrochemical performance. Additionally, this non enzymatic sensor is cost effective and capable of rapid and low concentration (0.05 µM) detection of tetracycline (TC). The semiconductor and porous structure based active materials demonstrate strong affinity with the functional groups of the target material. This synthesized nanocomposite material was analyzed using various experimental techniques including X-ray diffraction (XRD), Raman spectroscopy, XPS, DRS, Photocurrent, SEM, TEM, Cyclic voltammetry (CV), and Tafel plots. We have developed an electrochemical sensor with a minimum detection Limit of 0.0761 μM, which offers excellent reproducibility, stability, reliability, and remarkable prospects for application in detecting TC in phosphate buffer saline (PBS).

为了对抗抗生素耐药性和确保食品质量,检测四环素(TC)至关重要。本研究描述了基于3D (NiS和SiO2)复合材料与2D石墨烯结合的电化学方法制造TC传感器。此外,将合成的材料涂覆在泡沫镍电极上,泡沫镍电极具有优异的导电性、大表面积和机械强度,从而提高了电化学性能。此外,该非酶传感器具有成本效益,能够快速低浓度(0.05µM)检测四环素(TC)。基于半导体和多孔结构的活性材料与目标材料的官能团具有很强的亲和力。利用x射线衍射(XRD)、拉曼光谱、XPS、DRS、光电流、SEM、TEM、循环伏安法(CV)和Tafel图等实验技术对合成的纳米复合材料进行了分析。该传感器的最小检出限为0.0761 μM,具有良好的重现性、稳定性和可靠性,在磷酸缓冲盐水(PBS)中TC的检测中具有广阔的应用前景。
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引用次数: 0
Selective electrochemical detection of breast cancer biomarker on sulfur-doped CNT mediated dealloyed noble metal nanocomposite 硫掺杂碳纳米管介导的合金贵金属纳米复合材料乳腺癌生物标志物的选择性电化学检测
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-10 DOI: 10.1007/s10008-025-06431-w
Priyanka Pal, Jayabrata Das

The inflation of breast cancer has been edging to increased cancer-associated morbidity and fatality over the years. The casualty of the detection of biomarkers often deters the proper treatment of the disease. This work discusses the facile alloy/dealloying process for electrochemical detection of the breast cancer biomarker, phenylalanine (Phe). The co-deposition of silver-gold (Ag-Au) alloy at a constant potential on the electrochemically deposited sulfur-doped carbon nanotubes (S-CNT//GCE), forming AgAu/S-CNT//GCE, is consecutively dealloyed to form a highly selective sensor, D-AgAu/S-CNT//GCE. The dealloying strategy of the designed sensor enhances the metallic active sites, causing rapid adsorption of Phe and a significantly higher effective area as compared to other modified electrodes. The steady-state oxidative signal of Phe at + 1.1 V (vs Ag/AgCl) by i-t amperometry demonstrates two linear dependences in the concentration ranges, (5–1000) µM and (1000–2750) µM, exhibiting the limits of detection (LoD) as 0.5 µM and 1.7 µM at S/N = 3, respectively. Besides, the high selectivity of D-AgAu/S-CNT//GCE towards Phe disables the detection of other notable interferants, convincing the anti-interfering ability of the sensor. Certainly, the proposed sensor is subjected to the human serum sample for Phe determination, acquiring suitable recovery values. Overall, the high electrocatalytic properties establish the modified sensor to be dynamic and stable for further applications.

Graphical Abstract

多年来,乳腺癌的发病率和死亡率一直在上升。生物标志物检测的伤亡往往阻碍了疾病的适当治疗。本工作讨论了用于乳腺癌生物标志物苯丙氨酸(苯丙氨酸)电化学检测的易合金/脱合金工艺。在电化学沉积的硫掺杂碳纳米管(S-CNT//GCE)上以恒定电位共沉积银金(Ag-Au)合金,形成AgAu/S-CNT//GCE,并连续合金化形成高选择性传感器D-AgAu/S-CNT//GCE。所设计传感器的脱合金策略增强了金属活性位点,与其他修饰电极相比,可以快速吸附Phe,有效面积显着增加。在+ 1.1 V (vs Ag/AgCl)下,苯丙氨酸的稳态氧化信号在(5-1000)µM和(1000-2750)µM浓度范围内呈线性关系,在S/N = 3时的检出限(LoD)分别为0.5µM和1.7µM。此外,D-AgAu/S-CNT//GCE对Phe的高选择性使其无法检测到其他显著干扰物,从而证明了该传感器的抗干扰能力。当然,所提出的传感器受到人血清样本的Phe测定,获得合适的回收率值。总的来说,高电催化性能使改进后的传感器具有动态和稳定的性能,可用于进一步的应用。图形抽象
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引用次数: 0
CuO/NiO/MWCNT-modified electrode for simultaneous neurotransmitter detection and energy storage for self-powered biosensors CuO/NiO/ mwcnt修饰电极用于同时检测神经递质和自供电生物传感器的能量存储
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-10 DOI: 10.1007/s10008-025-06430-x
K. R. Rajashekar, M. D. Sagar, R. B. Raghavendra, Sathish Reddy, Thejas Urs G., G. K. Gowtham

This study presents a CuO/NiO/MWCNT-modified electrode that exhibits supercapacitor behaviour and simultaneous neurotransmitter sensing, enabling its potential use in self-powered biosensors. The composite was synthesised via a co-precipitation method, and its structural and chemical composition was confirmed using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), UV-Vis spectroscopy, and scanning electron microscopy (SEM), demonstrating successful functionalisation and enhanced surface area. The electrochemical response of the modified glassy carbon electrode (MWCNT/CuO/NiO/MGCE) was evaluated using cyclic voltammetry (CV) and differential pulse voltammetry (DPV), revealing highly selective and sensitive detection of dopamine (DA) and serotonin (5-HT) with detection limits of 0.87 µM (DA) and 0.65 µM (5-HT). The well-separated oxidation peaks with a peak-to-peak separation of 131 mV confirmed interference-free simultaneous quantification. Additionally, the electrode exhibited a specific capacitance of 48.3 F/g at 10 mV/s, indicating stable charge storage performance. These findings establish the CuO/NiO/MWCNT-modified electrode as a strong candidate for integrated self-powered biosensors, where the synergy between charge storage and biosensing functionalities can enable real-time, autonomous neurotransmitter monitoring.

Graphical abstract

本研究提出了一种CuO/NiO/ mwcnt修饰电极,具有超级电容器行为和同时神经递质传感,使其在自供电生物传感器中具有潜在的应用前景。该复合材料通过共沉淀法合成,并通过x射线衍射(XRD)、傅里叶变换红外光谱(FTIR)、紫外可见光谱(UV-Vis)和扫描电子显微镜(SEM)对其结构和化学成分进行了证实,证明了成功的功能化和增强的比表面积。采用循环伏安法(CV)和差分脉冲伏安法(DPV)对改性玻碳电极(MWCNT/CuO/NiO/MGCE)的电化学响应进行了评价,结果表明,改性玻碳电极对多巴胺(DA)和血清素(5-HT)的检测具有较高的选择性和灵敏度,检出限分别为0.87µM (DA)和0.65µM (5-HT)。分离良好的氧化峰,峰对峰的分离为131 mV,证实了无干扰的同时定量。此外,电极在10 mV/s下的比电容为48.3 F/g,具有稳定的电荷存储性能。这些发现确立了CuO/NiO/ mwcnt修饰电极作为集成自供电生物传感器的强有力候选者,其中电荷存储和生物传感功能之间的协同作用可以实现实时,自主的神经递质监测。图形抽象
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引用次数: 0
Microwave-assisted hydrothermal synthesis and electrochemical energy storage behavior of Ni/Zn layered hydroxides for use in supercapacitor electrodes 超级电容器电极用Ni/Zn层状氢氧化物的微波辅助水热合成及其电化学储能行为
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-09 DOI: 10.1007/s10008-025-06420-z
Ahmad Luqman Che Rani, Mohamed Ansari Mohamed Nainar, Mohammad Yeganeh Ghotbi, Teuku Muhammad Roffi, Andika Widya Pramono, Raja Viswanathan, Muhammad Amirul Aizat Mohd Abdah, Mohammad Khalid

In supercapacitor (SC) technology, advanced electrode materials are key to improving energy storage. Nickel compounds have been promising electrode materials for SC applications. Herein, the incorporation of zinc as a dopant/composite component with nickel has been investigated to enhance electrochemical properties of the nickel-based SC electrodes. In this study, Ni/Zn layered hydroxide (NZLH) electrodes were synthesized via microwave-assisted hydrothermal method with varying zinc ratios, alongside a pure nickel hydroxide reference. The incorporation of zinc has altered the electrochemical properties of NZLH electrodes without forming a distinct zinc hydroxide phase. NZ10 (with 10% Zn/Ni in the initial synthesis solution) has demonstrated the highest specific capacity with a value of 272.78 mAh/g at 5 A/g current density. The asymmetric SC device achieves a maximum specific capacity of 40.76 mAh/g at a current density of 0.1 A/g using activated carbon (anode) and NZ10 (cathode) materials. After 1000 cycles, the device exhibits excellent capacity retention and coulombic efficiency, recorded at 80.7% and 92.7%, respectively. The notable energy and power densities of 45.5 Wh/kg and 6400 W/kg at 2 A/g current density were measured for the asymmetric SC device in two-electrode system, indicating that the NZLH electrode may serve as a viable choice for energy storage applications.

在超级电容器(SC)技术中,先进的电极材料是提高储能性能的关键。镍化合物是一种很有前途的超导电极材料。本文研究了锌作为掺杂剂/复合组分与镍的掺入,以提高镍基SC电极的电化学性能。在本研究中,采用微波辅助水热法合成了不同锌比的Ni/Zn层状氢氧化物(NZLH)电极,并以纯氢氧化镍为参考。锌的掺入改变了NZLH电极的电化学性能,而没有形成明显的氢氧化锌相。在5 a /g电流密度下,NZ10(初始合成溶液中含有10% Zn/Ni)的比容量最高,达到272.78 mAh/g。采用活性炭(阳极)和NZ10(阴极)材料的非对称SC器件在0.1 a /g电流密度下实现了40.76 mAh/g的最大比容量。经过1000次循环后,该器件表现出优异的容量保持率和库仑效率,分别达到80.7%和92.7%。在2 A/g电流密度下,非对称SC器件在双电极系统中的能量和功率密度分别为45.5 Wh/kg和6400 W/kg,这表明NZLH电极可以作为储能应用的可行选择。
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引用次数: 0
Research on the corrosion behavior of Ni–P amorphous coated 316L stainless steel as PEMWE bipolar plates Ni-P非晶涂层316L不锈钢作为PEMWE双极板的腐蚀行为研究
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-08 DOI: 10.1007/s10008-025-06427-6
Mengqi Bi, Wei Liu, Menghui Yang, Naibao Huang

To enhance the corrosion resistance of 316L stainless steel, which is a potential alternative bipolar plate material for PEMWE or PEMFC, Ni–P amorphous coating was prepared by DC electrodeposition method. The results indicated that the coating’s structure strongly related to the phosphorus (P) content. Under specific phosphorus content conditions, a dense coating (Ni–P-30) with typical amorphous characteristics can be obtained, with a uniform surface morphology and no obvious structural defects. In simulated PEMWE environment, Ni–P-30’s corrosion current density decreased by one order of magnitude and the corrosion potential shifted positively by 0.29 V comparing with untreated steel. The excellent corrosion resistance of the amorphous Ni–P coating is attributed by its continuous and dense microstructure, functioning as an effective physical barrier. Meanwhile, during corrosion process, the P will enrich on the surface from the preferential dissolution of nickel in amorphous Ni–P coatings, improving the corrosion potential, reducing the corrosion current and inhibiting the hydration of Ni. Preliminary studies have shown that Ni–P-coated 316L stainless steel can be used as a replacement for graphite as a bipolar plate for PEMWE and PEMFC.

为提高316L不锈钢的耐蚀性,采用直流电沉积法制备了Ni-P非晶涂层。316L不锈钢是极具潜力的PEMWE或PEMFC双极板材料。结果表明,镀层结构与磷含量密切相关。在特定磷含量条件下,可获得具有典型非晶特征的致密涂层(Ni-P-30),表面形貌均匀,无明显的结构缺陷。在模拟PEMWE环境中,Ni-P-30的腐蚀电流密度比未处理钢降低了一个数量级,腐蚀电位正移动了0.29 V。非晶态Ni-P涂层具有良好的耐腐蚀性能,主要是由于其连续致密的微观组织起到了有效的物理屏障作用。同时,在腐蚀过程中,镍在非晶Ni - P涂层中的优先溶解使P在表面富集,提高了腐蚀电位,降低了腐蚀电流,抑制了Ni的水化作用。初步研究表明,ni - p涂层316L不锈钢可以替代石墨作为PEMWE和PEMFC的双极板。
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引用次数: 0
Study on electrochemical properties of NbnC/SiC(n = 1,2) heterojunction by first principles combined with machine learning 用第一性原理结合机器学习研究NbnC/SiC(n = 1,2)异质结的电化学性能
IF 2.6 4区 化学 Q3 ELECTROCHEMISTRY Pub Date : 2025-09-05 DOI: 10.1007/s10008-025-06419-6
Zihan Qiu, Di Liu, Lingxia Li, Wenbo Zhang, Junqiang Ren, Xingchang Tang, Xuefeng Lu

This study presents a systematic investigation combining density functional theory calculations and machine learning approaches to elucidate sodium adsorption behavior on Nb2C, NbC, SiC monolayers and their heterostructures (Nb2C/SiC and NbC/SiC). The research establishes fundamental correlations between charge transfer, adsorption distance, and concentration-dependent stability, while developing a clustered linear regression (CLR) model incorporating material/adsorption-site-dependent electronic dipole moment descriptors for physically interpretable adsorption energy prediction. The electrochemical performance evaluation reveals exceptional properties for both heterostructures: ultralow diffusion barriers (0.234 eV for Nb2C/SiC and 0.156 eV for NbC/SiC), high theoretical capacities (450.63 and 369.69 mAh/g respectively), and safe operating voltage windows (0.62–0.73 V). These characteristics demonstrate an optimal balance between fast ionic transport and high sodium storage capability, positioning these heterostructures as promising anode candidates for sodium-ion batteries.

本研究结合密度泛函理论计算和机器学习方法,系统研究了Nb2C、NbC、SiC单层及其异质结构(Nb2C/SiC和NbC/SiC)对钠的吸附行为。该研究建立了电荷转移、吸附距离和浓度依赖稳定性之间的基本相关性,同时开发了一个聚类线性回归(CLR)模型,该模型结合了材料/吸附位点依赖的电子偶极矩描述符,用于物理可解释的吸附能预测。电化学性能评估表明,这两种异质结构具有优异的性能:超低扩散势垒(Nb2C/SiC为0.234 eV, NbC/SiC为0.156 eV),高理论容量(分别为450.63和369.69 mAh/g),安全工作电压窗(0.62-0.73 V)。这些特性证明了快速离子传输和高钠存储能力之间的最佳平衡,将这些异质结构定位为钠离子电池有前途的阳极候选者。
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引用次数: 0
期刊
Journal of Solid State Electrochemistry
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