Electrochimica Acta最新文献

{"title":"Oxide layer formation behavior on a Pb-Ag@MnO2 composite anode in Mn2+-containing H2SO4 solution","authors":"Xiaocong Zhong, Kejun Cheng, Yanjing Wang, Bing Zhang, Ruixiang Wang, Zhifeng Xu","doi":"10.1016/j.electacta.2026.150128","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150128","url":null,"abstract":"During zinc electrowinning, the oxygen evolution activity and oxide layer stability of lead-based anodes are critically influenced by the presence of Mn<ce:sup loc=\"post\">2+</ce:sup> ions in the electrolyte and their subsequent oxidative deposition behavior. In this work, three types of composite anodes (Pb-Ag, Pb-MnO<ce:inf loc=\"post\">2</ce:inf>, and Pb-Ag@MnO<ce:inf loc=\"post\">2</ce:inf>) were fabricated via powder metallurgy. Their electrochemical performance and surface evolution were systematically compared with that of a conventional industrial PbAg alloy anode in a simulated zinc electrowinning electrolyte containing 160 g <ce:small-caps>l</ce:small-caps><ce:sup loc=\"post\">–1</ce:sup> H<ce:inf loc=\"post\">2</ce:inf>SO<ce:inf loc=\"post\">4</ce:inf> and 4 g <ce:small-caps>l</ce:small-caps><ce:sup loc=\"post\">–1</ce:sup> Mn<ce:sup loc=\"post\">2+</ce:sup>. The investigation focused on the temporal evolution of anodic potential, the phase composition and microstructure of the oxide layer, as well as the variation of Mn<ce:sup loc=\"post\">3+</ce:sup> concentration in the electrolyte. Particular emphasis was placed on elucidating the mechanistic role of Ag@MnO<ce:inf loc=\"post\">2</ce:inf> active particles in modulating the Mn<ce:sup loc=\"post\">2+</ce:sup> oxidation pathway and the subsequent formation of the oxide layer. The results indicate that during the initial stage of electrowinning, the electrolytes for both the PbAg alloy and the Pb-Ag composite anode exhibit relatively high Mn<ce:sup loc=\"post\">3+</ce:sup> concentrations, reaching 66.00 and 71.50 mg <ce:small-caps>l</ce:small-caps><ce:sup loc=\"post\">–1</ce:sup> at 12 h, respectively. These values subsequently decrease as loosely packed particulate MnO<ce:inf loc=\"post\">2</ce:inf> deposits rapidly on the anode surface. Under these conditions, the deposited MnO<ce:inf loc=\"post\">2</ce:inf> is primarily generated via the disproportionation of the Mn<ce:sup loc=\"post\">3+</ce:sup> intermediate. In contrast, for the Pb-MnO<ce:inf loc=\"post\">2</ce:inf> and Pb-Ag@MnO<ce:inf loc=\"post\">2</ce:inf> composite anodes, no Mn<ce:sup loc=\"post\">3+</ce:sup> is detectable in the electrolyte throughout the entire polarization period, indicating that MnO<ce:inf loc=\"post\">2</ce:inf> formation proceeds predominantly through a direct electrochemical oxidation pathway. Notably, on the Pb-Ag@MnO<ce:inf loc=\"post\">2</ce:inf> composite anode, a smooth and compact MnO<ce:inf loc=\"post\">2</ce:inf> underlayer preferentially forms, followed by the slow deposition of particulate MnO<ce:inf loc=\"post\">2</ce:inf> on top of this dense inner layer. Even after 72 h of polarization, this inner layer remains continuously compact and exhibits robust interfacial adhesion to the substrate. The average anodic potential of the Pb-Ag@MnO<ce:inf loc=\"post\">2</ce:inf> composite anode is comparable to that of the industrial PbAg alloy and is significantly lower than that of the Pb-MnO<ce:inf loc=\"post\">2</ce:inf> composite anode. Overall,","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"28 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149123793","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":"Rigid-flexible synergistic alginate-based composite membranes reinforced with modified hydrothermal carbon for direct methanol fuel cells","authors":"Shuangling Zhong, Lu Kang, Zhixiang Zhao, Lin Liu, Zhuo Tian, Minghui Wang, Xuejun Cui","doi":"10.1016/j.electacta.2026.150130","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150130","url":null,"abstract":"Conventional perfluorinated PEMs hinder sustainable energy transitions due to fossil-fuel dependence and environmental concerns. Herein, we develop rigid-flexible alginate-based crosslinked biomass membranes using sulfonated alginate and acid-base bifunctionalized hydrothermal carbon from corn stalks. <ce:small-caps>l</ce:small-caps>-cysteine grafting creates covalent/amide linkages, Ca²⁺ forms \"egg-box\" coordination, and thermal treatment reinforces the network. Unlike most biomass-based PEMs that rely on a single crosslinking mode or conventional inorganic fillers, this multilevel crosslinking strategy enhances dimensional stability while providing plentiful proton-hopping sites and channels. The eco-friendly hydrothermal carbon bears functional groups analogous to those of alginate, ensuring its homogeneous dispersion throughout the polymer matrix. Compared with the sulfonated alginate membrane, the optimized membrane containing 6 wt% additive achieves a 68% enhancement in tensile strength (30.87 MPa), a 75% increase in proton conductivity (0.0556 S cm<ce:sup loc=\"post\">-1</ce:sup>), and a threefold improvement in selectivity (16.8 × 10<ce:sup loc=\"post\">4</ce:sup>s cm<ce:sup loc=\"post\">-3</ce:sup>). Methanol diffusion is suppressed by 56% to 3.3 × 10<ce:sup loc=\"post\">–7</ce:sup> cm<ce:sup loc=\"post\">2</ce:sup> s<ce:sup loc=\"post\">-1</ce:sup>, contributing to a 48% higher maximum power density (59.74 mW cm<ce:sup loc=\"post\">-2</ce:sup>). By employing renewable agricultural waste as an additive precursor and combining it with biodegradable alginate, this membrane avoids toxic and expensive synthetic components, rendering it both eco-friendly and cost-effective. This work demonstrates that functional additives derived from agricultural waste can be used to construct high-performance biomass PEMs, offering a promising alternative to conventional perfluorinated membranes with potential for cost reduction and environmental sustainability.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"27 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149123792","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":"Balancing ZIF-67 and Ni–Co(OH)x domains via controlled etching for enhanced charge storage in hybrid supercapacitors","authors":"P.M. Crespo, Próspero Acevedo-Peña, Agileo Hernández-Gordillo, D. Perea-Santos, Vianney Aguilar-Vargas, J.A.I. Díaz-Góngora, E. Reguera","doi":"10.1016/j.electacta.2026.150139","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150139","url":null,"abstract":"Controlled chemical etching of metal–organic frameworks (MOFs) provides a versatile route to generate electrochemically active phases while retaining the parent framework's characteristics. Here, ZIF-67 was progressively etched using Ni<ce:sup loc=\"post\">2+</ce:sup> in methanol to obtain partially transformed Co-ZIF@Ni–Co(OH)<ce:inf loc=\"post\">x</ce:inf> composites. Increasing immersion time promoted the formation of Ni–Co-containing nanosheets intimately associated with the remaining ZIF. Combined spectroscopic, structural, and morphological characterization indicates that these nanosheets correspond to a poorly crystalline α-type Ni–Co hydroxide phase whose local structural ordering develops during etching. The electrochemical response does not scale directly with the extent of transformation or the BET-derived textural properties. Instead, the composite obtained after 3 days provides the most favorable response, delivering a specific capacity of 80 mA h g<ce:sup loc=\"post\">−1</ce:sup> at 0.1 A g<ce:sup loc=\"post\">−1</ce:sup> while retaining suitable rate capability. A hybrid supercapacitor assembled with this composite as the positive electrode and activated carbon as the negative electrode operates over 1.5 V, delivering 88 F g<ce:sup loc=\"post\">−1</ce:sup>, a maximum specific energy of 24 W h kg<ce:sup loc=\"post\">−1</ce:sup>, and 99% capacitance retention after 10,000 cycles. Post-cycling XPS and SEM reveal substantial chemical and morphological reconstruction of the positive electrode toward Ni- and Co-oxyhydroxide-rich domains despite its remarkable electrochemical retention. These results show that controlled partial transformation of ZIF-67 balances its electrochemical performance, producing a dynamically reconstructing electrode architecture and providing a rational strategy for tuning the structure–property relationship of MOF-derived materials for hybrid energy-storage devices.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"32 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149123466","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":"Enhanced supercapacitor performance of high-entropy spinel oxide (AlMnFeNiTi)₃O₄ via pore structure regulation","authors":"Changqing Jin, Zaidong Peng, XuZhong Zhao, Ruijie Liu, Yongxing Wei, Ruihua Nan, Qingping Ding","doi":"10.1016/j.electacta.2026.150138","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150138","url":null,"abstract":"High-entropy spinel oxides (HEOs) have attracted increasing attention for supercapacitor applications due to their structural stability and multicomponent redox activity. However, their practical application is hindered by sluggish ion transport kinetics and limited pore accessibility. Here, we report a solution combustion method with a preliminary gelation step, using acetylene black as a sacrificial template to tailor the pore structure of (AlMnFeNiTi)₃O₄ HEOs. The introduction of 5 wt% acetylene black preserves the single-phase spinel structure while generating an interconnected hierarchical porous framework after template removal. The optimized HEO-5 %C sample exhibits the highest mesoporous contribution (65.43 %) with a mesopore volume of 0.08417 cm<ce:sup loc=\"post\">3</ce:sup> g<ce:sup loc=\"post\">−1</ce:sup>, and a median pore diameter of 32.68 nm, indicating an optimized hierarchical pore structure containing interconnected mesopores and larger pores. In a three-electrode system, this material delivers 310.10 C g<ce:sup loc=\"post\">−1</ce:sup> at 1 A g<ce:sup loc=\"post\">−1</ce:sup> and retains 87 % capacity after 10,000 cycles. After long-term cycling, HEO-5 %C maintains relatively low impedance despite a moderate increase in charge-transfer resistance. A symmetric supercapacitor assembled from the material maintains a Coulombic efficiency ∼0.98 over 10,000 cycles. This work demonstrates that sacrificial templating regulates hierarchical pore topology and reduces ion transport tortuosity, thereby improving electrochemical kinetics, offering a new strategy for designing high-entropy oxide electrodes for advanced energy storage.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"52 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149123791","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":"Tailoring Mn2+/MnO2 Chemistry for Next-Generation Smart Windows: Role of Redox Mediators","authors":"Nosheen Dilshad,Muhammad Saif Ullah,Shabnam Shahida,Amreen Gulfraz,Eiman Reja,Saima Shafique,Adil Khan,Ramzan Akhtar,Iqra Rafiq,Mohsin Ali Raza Anjum,Muhammad Rehan","doi":"10.1016/j.electacta.2026.150143","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150143","url":null,"abstract":"","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"21 1","pages":"150143"},"PeriodicalIF":6.6,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090692","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":"Pore geometry as a design variable in ethanol electro-oxidation: A transport-coupled microkinetic model for electrocatalysts","authors":"A. Ledesma-Durán,C.A. Escalante-Velázquez,I. Santamaría-Holek","doi":"10.1016/j.electacta.2026.150069","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150069","url":null,"abstract":"","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"245 1","pages":"150069"},"PeriodicalIF":6.6,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149090737","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":"Co-Induced Electronic Anchoring of Zn Promoters in Cu-Based Electrodes for Durable Electroreductive Amination","authors":"Xiang Zhu, Shanjian Liu, Dongmei Bi, Weiming Yi, Xiaoming Yang, Jingang Yao","doi":"10.1016/j.electacta.2026.150101","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150101","url":null,"abstract":"Electroreductive amination of furfural on earth-abundant Cu-based electrodes is an attractive route for producing nitrogen-containing chemicals under mild conditions without external H<ce:inf loc=\"post\">2</ce:inf>. However, the process is limited by competing hydrogen evolution and the instability of Zn-based selectivity promoters in alkaline electrolytes. Herein, a Co-coupled Cu–Zn electrode supported on copper foam, denoted Co–Zn/CF, was developed to stabilize the Zn-promoted electrochemical interface for furfural reductive amination. The electrode was fabricated through an electrodeposition–galvanic displacement–annealing strategy, generating a three-dimensional porous Cu-based framework covered by nanosheet-assembled Cu–Co–Zn surface structures. At −0.4 V vs. RHE, Co–Zn/CF achieved an 81.3% Faradaic efficiency toward N-methylfurfurylamine (NMFA), a geometric NMFA partial current density of 8.1 mA cm<ce:sup loc=\"post\">−2</ce:sup> and nearly quantitative carbon selectivity. During five consecutive 3 h electrolysis cycles, the NMFA Faradaic efficiency remained at 73.6% after 15 h, corresponding to 90.5% retention of its initial value, without abrupt current decay. Quantitative ICP-OES analysis showed that 92.7% of the initial Zn loading was retained on Co–Zn/CF after cycling, compared with 68.0% for Zn/CF. Density functional theory calculations revealed that Co incorporation increased the Zn stripping energy from 2.55 to 2.73 eV, indicating strengthened Zn anchoring within the Cu matrix. Co incorporation also generated Cu–Co–Cu hollow sites with regulated H* adsorption, while the imine intermediate adopted an N-directed adsorption configuration favorable for C=N hydrogenation. These results demonstrate that electronic stabilization of labile promoters is an effective strategy for maintaining selective electrochemical interfaces during furfural electroreductive amination.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"90 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149085919","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":"Hierarchical structure of NiCoLDH/CC nanosheets as cathode material for enhancing electron transfer in hybrid supercapacitors","authors":"Afaq Ullah Khan, Mohib Ullah Khan, Shakeel Ahmad, Kamran Tahir, Zia Ur Rehman, Aaranda Arooj, Mouna Ben Henda","doi":"10.1016/j.electacta.2026.150092","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150092","url":null,"abstract":"The increasing consumption of fossil fuels and associated environmental concerns have motivated the development of efficient electrochemical energy-storage systems. Herein, hierarchical nickel–cobalt layered double hydroxide nanosheets were directly grown on carbon cloth through a one-step hydrothermal method and evaluated as binder-free battery-type electrodes in 1 M NaOH. The optimized NiCoLDH/CC<ce:inf loc=\"post\">120</ce:inf> electrode exhibited a specific capacity of 204 mAh g⁻<ce:sup loc=\"post\">1</ce:sup> at 1 A g⁻<ce:sup loc=\"post\">1</ce:sup> and retained 88% of its initial capacity after 10,000 charge–discharge cycles at 20 A g⁻<ce:sup loc=\"post\">1</ce:sup>. A solid-state hybrid supercapacitor configured as AC | 1 M KOH gel electrolyte | NiCoLDH/CC<ce:inf loc=\"post\">120</ce:inf> operated over a cell-voltage window of 1.4 V and delivered an energy density of 14 Wh kg⁻<ce:sup loc=\"post\">1</ce:sup> at a power density of 724 W kg⁻<ce:sup loc=\"post\">1</ce:sup>. At a higher power density of 1,380 W kg⁻<ce:sup loc=\"post\">1</ce:sup>, the device delivered 2 Wh kg⁻<ce:sup loc=\"post\">1</ce:sup>, corresponding to approximately 14% of its maximum reported energy. The device retained 81% of its initial device capacitance after 10,000 cycles at 20 A g⁻<ce:sup loc=\"post\">1</ce:sup>, with a coulombic efficiency of 95%. The electrochemical performance is associated with the hierarchical nanosheet architecture, direct electrical contact with the carbon cloth, accessible redox-active Ni/Co centers, and structural durability during prolonged cycling.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"8 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149085926","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":"Mechanistic Insights into Ca-Based Molten Carbonates for Sustainable and Efficient CO2 Electrolysis to Carbon Nanotubes","authors":"Yu Cai, Haotian Zeng, Wei Xiao","doi":"10.1016/j.electacta.2026.150087","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.150087","url":null,"abstract":"Molten salt electrolysis is an attractive route for efficient CO<ce:inf loc=\"post\">2</ce:inf> capture and value-added conversion. However, widely studied Li-based systems are limited by high cost, anode instability, and parasitic cathode reactions, which hinder practical scale-up. Herein, Li<ce:inf loc=\"post\">2</ce:inf>CO<ce:inf loc=\"post\">3</ce:inf>–Na<ce:inf loc=\"post\">2</ce:inf>CO<ce:inf loc=\"post\">3</ce:inf>–K<ce:inf loc=\"post\">2</ce:inf>CO<ce:inf loc=\"post\">3</ce:inf> and CaCO<ce:inf loc=\"post\">3</ce:inf>–Na<ce:inf loc=\"post\">2</ce:inf>CO<ce:inf loc=\"post\">3</ce:inf>–K<ce:inf loc=\"post\">2</ce:inf>CO<ce:inf loc=\"post\">3</ce:inf> molten electrolytes are compared to establish a cost-effective Ca-based strategy that couples the CaO/CaCO<ce:inf loc=\"post\">3</ce:inf> loop with the electrochemical conversion of CO<ce:inf loc=\"post\">2</ce:inf> into carbon nanotubes (CNTs) at 800°C. Thermodynamic calculations and post-service anode characterizations show that the larger ionic radius of Ca<ce:sup loc=\"post\">2+</ce:sup> induces steric hindrance, preventing Ca<ce:sup loc=\"post\">2+</ce:sup> incorporation into the NiO lattice of the Ni11Fe10Cu passivation layer. As a result, the formation of soluble Ni<ce:sup loc=\"post\">3+</ce:sup>-rich oxides is suppressed, enabling stable operation over 100 h. At the cathode, the higher ionic potential of Ca<ce:sup loc=\"post\">2+</ce:sup> strengthens Ca–O interactions and widens the voltage gap between Ca deposition and CaC<ce:inf loc=\"post\">2</ce:inf> formation, thereby suppressing parasitic Ca deposition and facilitating CNT growth. Leveraging the wide electrochemical window and high impurity tolerance of the Ca-based melt, direct co-reduction of CO<ce:inf loc=\"post\">2</ce:inf> and ZnO was achieved, producing Zn@CNT composites with a Faradaic efficiency of 90.7% for CNT formation. This work addresses key limitations of Li-based electrolytes and establishes a viable and economically scalable platform for the integrated valorization of complex industrial flue gases.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"129 1 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149085785","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":"Fully integrated, finite-volume-based, time-dependent multi-scale modeling of electrochemical CO2 reduction","authors":"Steffen Maaß, Sumin Choi, Jürgen Fuhrmann, Stefan Ringe","doi":"10.1016/j.electacta.2026.149932","DOIUrl":"https://doi.org/10.1016/j.electacta.2026.149932","url":null,"abstract":"Electrochemical systems couple reaction kinetics and mass transport across multiple temporal and spatial scales. To address this multiscale coupling, we present an integrated Julia-based simulation framework for defining and solving complex kinetic–transport models. Specifically, <ce:monospace>CatmapInterface.jl</ce:monospace> enables the construction of mean-field reaction networks with adsorbate–adsorbate interactions and EDL charging-corrected electrochemical kinetics, while <ce:monospace>LiquidElectrolytes.jl</ce:monospace> enables detailed EDL and mass-transport models. The resulting equations are solved monolithically using the finite-volume package <ce:monospace>VoronoiFVM.jl</ce:monospace>, yielding mass-conservative and numerically robust solutions under strong transport–kinetics coupling. As an example, we study CO<ce:inf loc=\"post\">2</ce:inf> reduction on gold, for which steady-state simulations show consistent results with a previous finite-element-based implementation but improved numerical stability. Time-dependent cyclic-voltammetry simulations further provide an explanation for the experimentally observed double peak in CO re-oxidation during the anodic sweep as arising from hydroxide depletion and delayed buffer equilibration. The framework thus provides a powerful tool for nonequilibrium multiscale simulations of complex electrochemical systems.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"134 4 1","pages":"149932"},"PeriodicalIF":6.6,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149086146","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}