Electrochimica Acta最新文献

{"title":"A convolutional kernel approach for efficient simulation of diffusion in complex electrode geometries","authors":"Zsolt Szakály,&nbsp;Gábor János Szirtes,&nbsp;Soma Vesztergom","doi":"10.1016/j.electacta.2026.148463","DOIUrl":"10.1016/j.electacta.2026.148463","url":null,"abstract":"<div><div>A fast, robust, and low-error method is described for the simulation of transient diffusion in electrochemical systems, particularly those featuring complex, high surface area geometries in one, two, or three dimensions—like porous electrode structures used in electrocatalysis. Our approach reformulates the discrete solution of Fick’s laws by approximating the propagation matrix with a Gaussian convolution kernel. This methodology leverages the known spectral decomposition of symmetric tridiagonal matrices, significantly reducing computational cost compared to traditional methods that rely on large-scale matrix inversion or exponentiation. Furthermore, this method is highly amenable to parallelization and GPU acceleration. We detail the implementation of various electrochemical boundary conditions, including diffusion control and mixed kinetic-diffusion control, demonstrating the potential of the method as a fast, user-friendly, and powerful tool for electrochemical simulations.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148463"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146777950","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}

{"title":"Reductive surface treatment of polytetrafluoroethylene with electrochemically generated radical anions of several polycyclic aromatic hydrocarbons","authors":"Shogo Kawashima ,&nbsp;Arata Nagashima ,&nbsp;Yojiro Yamamoto ,&nbsp;Hiroshi Shiigi ,&nbsp;Ryoichi Ishimatsu","doi":"10.1016/j.electacta.2026.148407","DOIUrl":"10.1016/j.electacta.2026.148407","url":null,"abstract":"<div><div>Electrochemically generated radical anions (R^•−) of several polycyclic aromatic hydrocarbons (R) were used for the surface treatment of polytetrafluoroethylene (PTFE). R^•− works as an electron donor, which causes reductive elimination of F⁻ on the PTFE surface. It was shown that the reduction potential of R significantly affects the rate of the reductive elimination of F⁻. By the reductive treatment of the PTFE surface, the contact angle of a water droplet decreased from 110° to about 60°. The contact angle change was analyzed to determine a standard rate constant of the reductive elimination (<em>k</em>⁰) with the radical anion of pyrene (Py^•−) and anthracene (An^•−), based on the Butler-Volmer model, and <em>k</em>⁰ = 5.7 × 10⁻⁴ and 4.6 × 10⁻⁴ M⁻¹ s⁻¹ for An^•− and Py^•−, respectively, were obtained. Furthermore, electroless deposition of Au and Cu on the treated PTFE sheets was carried out. Due to the reductive surface treatment, the Au and Cu layer was formed more uniformly than in the case of the untreated PTFE by the electroless deposition.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148407"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135584","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}

{"title":"Research progress on galvanic corrosion mechanisms and suppression strategies in Cu interconnect CMP processes for IC","authors":"Yue He ,&nbsp;Yadong Zhu ,&nbsp;Jianshu Wang ,&nbsp;Shihui Huang ,&nbsp;Yuke Liu ,&nbsp;Baohong Gao","doi":"10.1016/j.electacta.2026.148458","DOIUrl":"10.1016/j.electacta.2026.148458","url":null,"abstract":"<div><div>With the continuous scaling down of integrated circuit (IC) feature sizes, the demand for interconnect planarization has become increasingly stringent. Chemical mechanical polishing (CMP) has emerged as a critical enabling technology for achieving high-density integration and multi-level interconnects. However, during the CMP process, the issue of galvanic corrosion between Cu interconnects and barrier layer metals has become increasingly prominent, posing a significant challenge to IC performance and reliability. This corrosion phenomenon can lead to increased electrical resistance, non-uniform current density distribution, and accelerated failures such as electromigration and stress migration. Consequently, a thorough investigation of galvanic corrosion behavior during Cu CMP and the development of effective mitigation strategies are of paramount importance for advancing IC manufacturing technology. This review systematically elucidates the formation mechanisms and control strategies for galvanic corrosion between copper interconnect layers and barrier layer metals during CMP. It summarizes mainstream electrochemical methods employed for detecting this corrosion behavior and reviews the current state of research on modulating galvanic corrosion for different barrier metals through slurry component optimization. Thereby, an integrated \"mechanism-detection-mitigation\" analytical framework is constructed. This article aims to provide theoretical reference and practical guidance for researchers in the IC manufacturing field, fostering a deeper understanding and more effective control of galvanic corrosion issues in copper interconnect CMP, ultimately contributing to the sustained advancement of integrated circuit technology.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148458"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146209540","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}

{"title":"Time-resolved analysis of the FTO surface dynamics in aqueous solution","authors":"Yingshi Su ,&nbsp;Sijie Chen ,&nbsp;Weiran Zheng","doi":"10.1016/j.electacta.2026.148501","DOIUrl":"10.1016/j.electacta.2026.148501","url":null,"abstract":"<div><div>Fluorine-doped tin oxide (FTO) is a cornerstone transparent conducting oxide in electrochemistry and materials science, yet its stability is often assumed rather than verified. This work presents a time-resolved operando investigation into the degradation of the FTO electrode, quantitatively mapping its chemical and electrochemical stability in acidic (0.5 M H₂SO₄), neutral (1.0 M KCl), and alkaline (1.0 M KOH) environments. By employing time-resolved electrochemical impedance analysis and cyclic voltammetry-coupled electrochemical impedance spectroscopy protocol, we simultaneously track changes in FTO resistance and double-layer capacitance to deconvolve distinct degradation mechanisms. Our findings reveal that FTO stability is highly conditional. Alkaline media are universally corrosive, causing severe surface roughening (capacitance increases &gt;90 %) and conductivity loss even during simple chemical immersion. In contrast, under acidic and neutral conditions, cathodic cycling drives surface roughening, whereas anodic cycling leads to surface smoothing. Most notably, the impact on conductivity is potential-specific: anodic polarization improves conductivity in neutral KCl but is destructive in KOH, where stannate (SnO₃²⁻) formation causes the largest rise in resistance (+7.3 %). By correlating electrical parameters with specific redox processes, this study provides a quantitative framework for understanding FTO degradation and establishes critical operating windows to ensure FTO reliability in electrochemical applications.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148501"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146261152","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}

{"title":"Synergistic effects of LiFePO4 cathodes via B-doping and C/Ti hybrid coating for enhanced electrochemical performance","authors":"Ugur Caglayan","doi":"10.1016/j.electacta.2026.148514","DOIUrl":"10.1016/j.electacta.2026.148514","url":null,"abstract":"<div><div>In this study, boron-doped and hybrid carbon/titanium (C/Ti) surface modified LiFePO₄ cathode materials were synthesized via hydrothermal methods to overcome the low intrinsic kinetic conductivity and surface instability of LiFePO₄. The synergy between bulk boron doping and the surface C/Ti coating was systematically investigated through structural and electrochemical characterizations. Structural analyses showed that B³⁺ ions successfully incorporated into the P⁵⁺ regions, leading to lattice contraction and the formation of oxygen vacancies, which significantly improved Li⁺ diffusion kinetics. Simultaneously, the titanium-based interphase acted as a robust protective layer that minimized electrolyte side reactions and maintained structural integrity in long-term cycling. Electrochemical results revealed that the optimized LFP_2B@CTi sample exhibited a low charge transfer resistance of 98.2 Ω and maintained a high discharge capacity of 102 mAh/g at a high rate of 5C. Furthermore, the material exhibited a Coulombic efficiency of 96.24% after 200 cycles at 0.5 C, proving that capacity degradation mechanisms were suppressed. These results demonstrated that the proposed dual modification strategy offers a highly promising pathway for developing high-performance cathode material for high-power lithium-ion battery applications by providing a strong synergistic effect.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148514"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146777958","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}

{"title":"Engineering rapid charge storage: Building electron-ion dual highways in CMP/SWCNT electrodes through cobalt coordination and covalent grafting","authors":"Li Zhao ,&nbsp;Xiao Yu ,&nbsp;Zhengshao Xiong ,&nbsp;Kun Wang ,&nbsp;Ran Cui ,&nbsp;Zihan Wang ,&nbsp;Yang Li ,&nbsp;Yang Lei","doi":"10.1016/j.electacta.2026.148502","DOIUrl":"10.1016/j.electacta.2026.148502","url":null,"abstract":"<div><div>Conjugated microporous polymers (CMPs) are often hampered by intrinsic structural disorder, which leads to a critical trade-off among electrical conductivity, ion accessibility, and active site utilization, thereby creating a kinetic disparity between Faradaic reactions and charge transport. Here, we report a molecular anchoring strategy that guides a transition from amorphous to partially crystalline order within a CMPs framework. This is achieved through a “radial coordination-axial covalent” design, wherein the synergistic effect between rigid pyrene planes and Co-N/O coordination geometry acts as a molecular anchor, directing ordered polymer packing. Co-N₂O₂ coordination centers are constructed to narrow the bandgap via <span>d</span>-π orbital hybridization and provide highly active Faradaic reaction sites. Concurrently, the axial covalent grafting of this coordinated framework onto single-walled carbon nanotubes (SWCNTs) constructs a core-shell heterostructure, which establishes continuous electron pathways and hierarchical mass transfer channels. As a result, the Py-Co-Salen-CMP@SWCNTs composite demonstrates an exceptional three-electrode specific capacitance of 1131.5 F g^-1 at 0.5 A g^-1 and maintaining 93 % capacitance retention after 5000 cycles. A symmetric two-electrode supercapacitor based on Py-Co-Salen-CMP@SWCNTs achieves a specific capacitance of 452 F g^-1 within a 1 V voltage window, delivering a high energy density of 62.78 W h kg^-1 and maintaining 91.1 % capacitance retention. This work demonstrates that molecular anchoring-induced structural ordering combined with interfacial engineering is an effective strategy to unlock the potential of CMPs for high-performance energy storage.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148502"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146778425","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}

{"title":"Intrinsic nature of electrochemical Ostwald ripening: Spontaneous size-distribution evolution without external bias","authors":"Leonardo D. Robledo Candia,&nbsp;Gabriel C. Lavorato,&nbsp;Aldo A. Rubert,&nbsp;Mariano H. Fonticelli","doi":"10.1016/j.electacta.2026.148449","DOIUrl":"10.1016/j.electacta.2026.148449","url":null,"abstract":"<div><div>The stability of metal nanoparticles (NPs) determines their performance in applications ranging from catalysis to biomedicine. When metal NPs can exchange charge with ionic species in an electrolyte, smaller particles oxidize while larger ones grow, undergoing electrochemical Ostwald ripening (EOR). This process is driven by differences in excess surface free energy, described by the Gibbs-Thomson (GT) relation. We develop a theoretical framework to predict the evolution of NP size distributions when oxidation and reduction rates are controlled by charge-transfer kinetics at the nanoparticle/electrolyte interface. Under these conditions, the system naturally develops a time dependent mixed potential that governs its temporal evolution. Computational simulations show that the long-time behavior of EOR follows the power-law growth of the mean particle size predicted by the Lifshitz–Slyozov–Wagner (LSW) theory for surface-controlled ripening (SCR). However, EOR produces distinctive skewness and broader distributions. We show that most deviations from SCR originate from the linearization of the GT relation in traditional LSW approaches, which becomes inaccurate for small NPs. Furthermore, the long-time polydispersity index in EOR exceeds that of diffusion-controlled ripening, indicating intrinsically broader distributions under electrochemical control. These results provide key insights into the coarsening pathways of metal NPs during their synthesis, storage, and electrochemical operation.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148449"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184256","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}

{"title":"Construction of Co9S8-ReS2Ni3S2/NF catalyst and its electrocatalytic water splitting performance","authors":"Xueying Lu ,&nbsp;Xu Han ,&nbsp;Dan Zhao ,&nbsp;Tianhao Wang ,&nbsp;Yinan Liu ,&nbsp;Jing Hu ,&nbsp;Yitao He","doi":"10.1016/j.electacta.2026.148474","DOIUrl":"10.1016/j.electacta.2026.148474","url":null,"abstract":"<div><div>Hydrogen energy, featuring high energy density and environmental friendliness, is a highly promising renewable clean energy carrier. Electrolytic water splitting for hydrogen production is effective for high-purity H₂, with efficient and stable electrocatalysts being the key to efficiency optimization. Rhenium-based catalysts attract attention due to their unique electronic structure, high activity, and broad pH adaptability, but enhancing their hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) performance remains a challenge. This study reports a two-step hydrothermal method to in situ grow Co₉S₈-ReS_2<img>Ni₃S₂ on nickel foam. Co incorporation induces “coral-like” nanostructures, increasing active surface area and suppressing agglomeration, while strong ReS_2<img>Co₉S₈ interfacial coupling optimizes charge redistribution. The catalyst exhibits overpotentials of 89 mV (HER) and 268 mV (OER) at 10 mA cm^-2, achieves 10 mA cm^-2 at 1.61 V for overall water splitting, and maintains stability for 100 h, providing new insights for high-performance electrocatalysts.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148474"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146223365","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}

{"title":"The role of electrochemistry in the direct recycling of lithium-ion batteries","authors":"M.R. Bermejo ,&nbsp;P. Moretti ,&nbsp;M. Gómez ,&nbsp;J. Castro ,&nbsp;M. Merlo ,&nbsp;J.J. Biendicho","doi":"10.1016/j.electacta.2026.148518","DOIUrl":"10.1016/j.electacta.2026.148518","url":null,"abstract":"<div><div>The increasing demand for lithium-ion batteries, driven by their widespread use in electronic devices and electric vehicles, has raised concerns regarding their recycling and end-of-life management. Batteries contain valuable and potentially hazardous materials, necessitating efficient recovery strategies. In this context, direct recycling has emerged as a promising approach, enabling the regeneration of cathode active materials (CAMs) for reuse in new batteries, with reduced energy consumption and minimal environmental impact.</div><div>Among recycling strategies, electrochemical methods stand out for their efficiency in recovering critical materials via electrodeposition or ion insertion, generating minimal waste and reducing reagent consumption. In this work, the CAM from NMC-type lithium-ion batteries (Li₁Ni₀.₆Mn₀.₂Co₀.₂O₂, NMC622) was re-lithiated using chronopotentiometry as the electrochemical technique. The re-lithiation process was systematically optimized by evaluating the effects of lithium salt concentration, applied current density, temperature, and stirring conditions. After lithium insertion, the material underwent a heat treatment at 600 °C to restore its original crystalline structure.</div><div>X-ray diffraction (XRD) analysis confirmed that the regenerated CAM recovered the characteristic layered structure of commercial NMC622, with matching peak positions. Analysis of the I₀₀₃/I₁₀₄ intensity ratio revealed an increase in Li–Ni cation mixing compared with the pristine reference, indicating that while the global layered structure was restored, some degree of internal disorder remained.</div><div>These results highlight the potential of electrochemical re-lithiation as a sustainable strategy for the recovery and regeneration of degraded lithium-ion cathodes, contributing to circular economy approaches in battery materials management.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148518"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146777949","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}

{"title":"Impact of electrode geometry on stress evolution and crack formation in solid-state batteries: Prediction and experimental validation","authors":"Tewelde Hailay Gebregeorgis ,&nbsp;Rodrigo Lopez Baez ,&nbsp;Joan R. Busacker ,&nbsp;Louis De Taeye ,&nbsp;Mats Meeusen ,&nbsp;Xinhua Zhu ,&nbsp;Annick Hubin ,&nbsp;Mesfin Haile Mamme","doi":"10.1016/j.electacta.2026.148431","DOIUrl":"10.1016/j.electacta.2026.148431","url":null,"abstract":"<div><div>All-solid-state lithium-ion batteries (ASSLIBs) emerge as a promising next-generation technology, yet their realization is hindered by challenges, such as electrode/solid-electrolyte (SE) interface issues. Here, a combined experimental-computational approach is utilized to analyze the interplay between the geometrical structure of the electrode/SE interface configuration and electro-chemo-mechanical processes in an ASSLIB cell. Two types of physics-based models, which differ on the level of Multiphysics description, are developed: a pure electrochemical and a fully coupled electro-chemo-mechanical framework, to quantitatively compare their ability to predict experimentally observed ASSLIB behavior. The fully coupled model shows a strong agreement with experimental data, achieving less than 0.5% capacity difference at the end of discharge, while the pure model significantly deviates from experimental data, overestimating capacity by 26.5%. This underscores the importance of accounting for mechanical phenomena and Multiphysics coupling for accurate prediction. Following this validation, the coupled model is utilized to evaluate the impact of the planar and patterned (nonplanar) interface geometries on ASSLIB performance. It is observed that the patterned interface structure at/ near the pattern edges experiences the maximum gradient of lithium concentration and mechanical stress profiles. This is due to the sharp change in geometry, indicating a higher risk of mechanical failure, which is also experimentally confirmed as a critical area for crack formation. This study further investigates how variations in pattern geometric parameters affect ASSLIB performance, aiming to quantify the impact of pattern height, width, inter-distance, and base layer height. The results provide an in-depth analysis of the relationship between interface geometry type, lithium concentration, and stress profiles, offering guidance for optimizing geometric factors to limit mechanical failure.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"557 ","pages":"Article 148431"},"PeriodicalIF":5.6,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146153153","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}