Journal of Electroanalytical Chemistry最新文献

{"title":"Machine learning-driven prediction and optimization of selective glycerol electrocatalytic reduction into propanediols","authors":"Muhammad Harussani Moklis ,&nbsp;Cries Avian ,&nbsp;Cheng Shuo ,&nbsp;Sasipa Boonyubol ,&nbsp;Jeffrey S. Cross","doi":"10.1016/j.jelechem.2025.119150","DOIUrl":"10.1016/j.jelechem.2025.119150","url":null,"abstract":"<div><div>Electrochemical conversion of crude glycerol–a surplus by-product of biodiesel production–into value-added propanediols (PDO) presents a sustainable bioresource valorization. However, optimizing selective glycerol electrocatalytic reduction (ECR) remains challenging due to complex interactions among multiple reaction parameters. Here, we employ an integrated machine learning-driven optimization framework combining XGBoost with particle swarm optimization (PSO) to predict and optimize glycerol ECR performance, targeting both conversion rate (CR) and electroreduction product yields (ECR PY). A dataset of 446 experimental datapoints curated from published literature was used to train the XGBoost model, achieving high prediction accuracy (R² of 0.98 for CR; 0.80 for ECR PY), outperforming other algorithms and demonstrating robustness against unbalanced datasets. Feature analysis revealed that low-pH electrolytes and longer reaction times significantly enhance both outputs, while higher temperatures and carbon-based electrocatalysts positively influence ECR PY by facilitating C<img>O bond cleavage in glycerol. XGBoost-PSO optimization predicted maximum CR (100 %) using a Pt cathode at 24.15 h, 24.66 °C, pH 1.08, 66.96 rpm stir rate, 0.43 M electrolyte concentration, and 0.28 A/cm² current density. Meanwhile, the highest ECR PY (53.29 %) was predicted with a carbon cathode at 22.27 h, 78.87 °C, pH 0.99, 650.18 rpm, 3.84 M electrolyte, and 0.14 A/cm². Experimental validation confirmed the model's predictive accuracy within ∼10 % error. GC–MS further validated the selective formation of PDOs, with yield of 21.01 % under optimized conditions. This framework offers a robust, data-driven alternative to traditional trial-and-error approaches, providing mechanistic insights and practical guidance for scalable, economically viable glycerol ECR in biodiesel industry.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119150"},"PeriodicalIF":4.1,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"F-doped Co3O4/carbon composite catalyst for alkaline oxygen evolution","authors":"Zhaodi Wang ,&nbsp;Mengjie Gao ,&nbsp;Jingkun Yu ,&nbsp;Weiruo Liu ,&nbsp;Yonggang Liu ,&nbsp;Yunpu Zhai","doi":"10.1016/j.jelechem.2025.119155","DOIUrl":"10.1016/j.jelechem.2025.119155","url":null,"abstract":"<div><div>Electrocatalytic water splitting represents a sustainable method for hydrogen production. However, the oxygen evolution reaction (OER) at the anode often exhibits sluggish kinetics and low energy conversion efficiency. This paper describes the regulation of the electronic structure of the Co₃O₄/carbon composites through anion doping. Specifically, F-doped carbon substrates are combined with ZIF-67, wherein the active component Co₃O₄ is encapsulated within the framework formed by ZIF-67. The two-dimensional (2D) nanosheet structure derived from ZIF-67 provides a large specific surface area and exposes abundant active sites. More importantly, fluorine (F) doping modulates the electronic structure of Co₃O₄/carbon@NF, activates the lattice oxygen mechanism (LOM), and promotes surface reconstruction into highly active cobalt oxyhydroxide (CoOOH), thereby significantly enhancing OER performance. Furthermore, F-Co₃O₄/carbon@NF exhibits a more favorable d-band center, which optimizes the adsorption energy of key intermediates and accelerates reaction kinetics. The resulting nanocomposite catalyst, F-Co₃O₄/carbon@NF, displays exceptional OER performance, requiring only an overpotential of 201 mV at 100 mA cm⁻². This catalyst maintains its performance over 24 hours of continuous operation, with the catalytic activity surpassing many similar catalysts.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119155"},"PeriodicalIF":4.1,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143890988","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced photoelectrocatalytic performance of N-acetylaminobenzoic acid-doped PDMS composite photoelectrodes for oxygen evolution reaction in water splitting","authors":"Lingxia Li ,&nbsp;Xiaoyu Li ,&nbsp;Chun Yu ,&nbsp;Haibo Li","doi":"10.1016/j.jelechem.2025.119154","DOIUrl":"10.1016/j.jelechem.2025.119154","url":null,"abstract":"<div><div>In the field of photoelectrocatalysis, polydimethylsiloxane (PDMS) matrices are commonly used as carriers or substrates for constructing composite photoelectrodes. In this study, a PDMS-based composite doped with <em>N</em>-acetylaminobenzoic acid (NAA), referred to as PDMS-NAA, was developed for photoelectrochemical hydrogen reactions. Photoelectrochemical analysis results indicate that NAA doping significantly enhances the photoelectrocatalytic activity; the photocurrent density of PDMS-NAA (0.43 μA/cm²) is 3.09 times higher than that of pure PDMS (0.14 μA/cm²). Additionally, the contact layers of PDMS and NAA were modeled, and structural optimizations, as well as energy calculations, were performed using density functional theory (DFT). The computational results demonstrate excellent compatibility between PDMS and NAA, facilitating enhanced electron cloud overlap and efficient charge conduction. These findings highlight the potential of PDMS-NAA as a high-performance, flexible photoelectrocatalyst and provide new strategies for optimizing composite materials in renewable energy applications.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119154"},"PeriodicalIF":4.1,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrasensitive detection of aquaporin-4 antibodies using ZIF-67@PDA@PtCu nanocomposite-based electrochemical immunosensor for neuromyelitis optica spectrum disorder diagnosis","authors":"Qing Fu ,&nbsp;Xuhuai Fu ,&nbsp;Jinzhou Feng ,&nbsp;Jing Wang ,&nbsp;Jinyu Jiang ,&nbsp;Shijia Ding ,&nbsp;Daobin Han ,&nbsp;Manxia Wang","doi":"10.1016/j.jelechem.2025.119153","DOIUrl":"10.1016/j.jelechem.2025.119153","url":null,"abstract":"<div><div>Neuromyelitis optica spectrum disorder (NMOSD) is a central nervous system demyelinating disease that typically causes severe visual impairment and paralysis, and the aquaporin-4 antibodies (AQP4-IgG) serve as its specific diagnostic marker. In patients presenting with typical NMOSD symptoms, a positive AQP4-IgG result is sufficient to confirm the diagnosis. However, current clinical methods for detecting AQP4-IgG suffer from limited sensitivity, time-consuming procedures, and labor-intensive workflows, underscoring the urgent need for more efficient and reliable diagnostic approaches. To address these limitations, we report a novel electrochemical biosensor leveraging a hierarchical ZIF-67@PDA@PtCu nanozyme for ultrasensitive and rapid AQP4-IgG detection. ZIF-67@PDA@PtCu, a composite material consisting of a ZIF-67 core coated with polydopamine (PDA) and further decorated with PtCu nanoparticles, was utilized as a signal amplification component. The PtCu alloy nanoflowers demonstrated exceptional catalytic activity, which was further amplified by the sturdy ZIF-67 framework that enabled the integration of additional functional materials. In parallel, PDA enhanced the synergy between the unsaturated edge sites of the metal-organic framework and the outstanding catalytic properties of the PtCu alloy, thereby boosting the overall performance of the system. The integration of graphene oxide (GO) and gold nanoparticles (AuNPs) enhanced electrical conductivity. This configuration enabled efficient electrochemical (EC) signal generation, facilitating the detection of AQP4-IgG with high stability, a broad detection range of 0.1–80 U mL⁻¹, and an impressively low detection limit of 0.05 U mL⁻¹. Our findings offer a novel approach for the early diagnosis of NMOSD and provide valuable insights into the detection of other antibody-dependent neuroimmune disorders.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119153"},"PeriodicalIF":4.1,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143890834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MoS2 bulk layer-carbon composite for hydrogen evolution reaction: Experimental and theoretical DFT insights","authors":"Avala Ramesh,&nbsp;Sukanti Behera","doi":"10.1016/j.jelechem.2025.119137","DOIUrl":"10.1016/j.jelechem.2025.119137","url":null,"abstract":"<div><div>Monolayer or few-layer of MoS₂ or their composites serves as an excellent electrocatalysts for HER. However, large-scale production requires a cost-effective and simple processes. When a bulk layer is used as an electrocatalyst, scaling up becomes easier and offers significant advantage for the catalysis industry. Hence present study explores the synthesis of bulk MoS₂ and carbon composites of molybdenum disulphide (MoS₂-C) powder for its potential application in HER through experimental and theoretical DFT approaches. Wet-chemical method was conducted for synthesis in a basic medium and Raman spectroscopy identified MoS₂ bulk layer, having characteristic peaks at 381 cm⁻¹ (E¹_2g) and 410 cm⁻¹ (A_1g) and separation between two peaks <span><math><mo>∆</mo></math></span>k value of 29 cm⁻¹. The electrocatalytic HER performance of bulk MoS₂-C composite exhibited the highest efficiency, achieving a low overpotential of 470 mV @10 mA/cm² of current density. To further understand the position and nature of hydrogen adsorption on samples, the DFT was explored. The findings of the hydrogen adsorption Gibbs free energy calculation show that the hydrogen adsorption on the position-2 (distance 2.21 Å) sulphur site is the most stable adsorption configuration for HER activity, compared to a position-1 site of carbon composite MoS₂. This occurs due to the high density of electrons near fermi level which is helpful for hydrogen adsorption. Moreover, the present work will stimulate the researcher to enhance HER efficiency for other transition metal dichalcogenides (TMD viz. WS₂, VS₂) bulk layers.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119137"},"PeriodicalIF":4.1,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143888031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Storage mechanisms, modification strategies, and prospects of hard carbon anode for sodium-ion batteries","authors":"Xiaohu Wang ,&nbsp;Junhui Dong ,&nbsp;Jie Ren ,&nbsp;Ding Nan ,&nbsp;Na Huang ,&nbsp;Jihui Li ,&nbsp;Jun Liu","doi":"10.1016/j.jelechem.2025.119152","DOIUrl":"10.1016/j.jelechem.2025.119152","url":null,"abstract":"<div><div>Hard carbon (HC) functions as a crucial anode component in sodium-ion batteries (SIBs), distinguished by its substantial specific capacity, extended lifespan, and excellent cycling performance. Given the swift growth of electric vehicles and sustainable energy storage applications, the requirement for efficient SIBs has surged, prompting considerable advancements in HC anode research. Diverse synthesis techniques, including high-temperature pyrolysis, chemical vapour deposition, and solvothermal methods, have been developed to produce HC materials exhibiting varied morphologies and structures, thereby accommodating different application requirements. Additionally, surface and doping modifications to HC materials have demonstrated improvements in their electrochemical performance. Structural optimisation remains a focal area, as enhancements to pore structure, specific surface area, and conductivity have proven effective in elevating electrochemical performance. This review examines the storage pathways and modification approaches of HC anodes in SIBs and explores potential future applications of these materials in SIB technology. In addition, the development status of hard carbon anode materials based on various types of coal as precursors is summarized, and feasible views are put forward for the bottleneck of their industrial application.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119152"},"PeriodicalIF":4.1,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883142","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Iron-doped nickel cobalt oxide nanorods composited with nitrogen and sulfur co-doped reduced graphene oxide for electrocatalytic oxygen evolution reaction","authors":"N. Durga Sri,&nbsp;Thandavarayan Maiyalagan","doi":"10.1016/j.jelechem.2025.119138","DOIUrl":"10.1016/j.jelechem.2025.119138","url":null,"abstract":"<div><div>Developing a cost-effective and highly active electrocatalyst for the oxygen evolution reaction (OER) remains a key factor in advancing sustainable energy conversion technologies. Nickel cobaltite (NiCo₂O₄) with its availability of redox couples and stable spinel structure stands out as an effective OER electrocatalyst. While the low conductivity and limited surface area restricts their use. To resolve the addressed issues, our work focuses on doping Fe in NiCo₂O₄ as an efficient way to modulate the electronic structure leading to enhanced electrical conductivity and the incorporation of nitrogen and sulfur co-doped reduced graphene oxide which would increase the surface area and durability of nickel cobalt oxide. Herein, we designed a Fe doped nickel cobalt oxide nanorods composited with N,S-rGO by a hydrothermal method followed by calcination. The prepared electrocatalyst with overpotential of 300 mV at current density of 10 mA/cm² in 1 M KOH exhibited 65 h stability. The improved catalytic activity at the presence of Fe³⁺ sites in nickel cobaltite would enhance charge and electron transfer pathways. This doping tends to induce the formation of highly active oxidation states of Co³⁺ and Ni³⁺ thus maximizing the formation of Ni<img>O and Co<img>O bonds which enhances the adsorption and desorption of OER intermediates. Therefore, Fe doped nickel cobalt oxide composited with a co-doped reduced graphene oxide could be a promising, efficient, and durable OER electrocatalyst in alkaline medium.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"989 ","pages":"Article 119138"},"PeriodicalIF":4.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143888115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile synthesis of Nano-SiO2@RF@TiO2 anode for lithium-ion batteries","authors":"Haiping Lei ,&nbsp;Yiwa Luo ,&nbsp;Suqin Li ,&nbsp;Jiguo Tu","doi":"10.1016/j.jelechem.2025.119140","DOIUrl":"10.1016/j.jelechem.2025.119140","url":null,"abstract":"<div><div>Silicon dioxide (SiO₂), attributed to its exceptional specific capacity, vast resource availability, and cost-effectiveness, has emerged as a promising anode candidate for lithium-ion batteries. Nevertheless, its inherent drawbacks of poor electrical conductivity and pronounced volume expansion during charge/discharge cycles pose significant obstacles to widespread adoption. To address these challenges, innovative strategies involving the design of nanostructured SiO₂ and its integration with coatings have been explored. The unique structure of the resultant SiO₂-based composites (SiO₂@RF@TiO₂) profoundly facilitates the swift diffusion of both Li⁺ ions and electrons, enhances the accessibility of active sites for Li⁺ insertion, and effectively accommodates the volume fluctuations of SiO₂ during operation. The SiO₂@RF@TiO₂ composite demonstrates remarkable performance, exhibiting a superior specific capacity of 502 mA h g⁻¹ at a current density of 100 mA g⁻¹, outstanding rate capability and enhanced cycling stability (retaining 323 mA h g⁻¹ at 200 mA g⁻¹ after 900 cycles), all of which surpass the SiO₂@RF, thereby offering a compelling solution for the development of high-performance SiO₂-based anodes for lithium-ion batteries.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119140"},"PeriodicalIF":4.1,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mo/VONC as a polysulfide immobilizer and catalyst to enhance performance of Lithium sulfur batteries","authors":"Bo Wang ,&nbsp;Siji Wei ,&nbsp;Hong Deng ,&nbsp;Hong Wang ,&nbsp;Naiqiang Liu ,&nbsp;Xinyue Li","doi":"10.1016/j.jelechem.2025.119143","DOIUrl":"10.1016/j.jelechem.2025.119143","url":null,"abstract":"<div><div>The dissolution of polysulfides and the slow conversion reactions of sulfur species represent significant challenges that impede the electrochemical performance of lithium‑sulfur (Li<img>S) batteries. To address these issues, we have developed Mo/VONC, a material derived from molybdenum-doped vanadium-based metal-organic frameworks (MOFs), which serves as both a lithium polysulfide (LiPS) immobilizer and a catalyst. The distinctive “rice-flower rod” morphology of Mo/VONC facilitates enhanced electrolyte penetration and lithium-ion (Li⁺) diffusion. Furthermore, molybdenum (Mo) doping accelerates Li₂S nucleation and the liquid-solid transition, thereby improving the kinetics of sulfur species transition during the charging and discharging processes. This effectively mitigates the shuttle effect and enhances cycling performance. Li<img>S batteries incorporating Mo/VONC exhibit superior electrochemical performance, retaining a capacity of 564 mAh/g after 200 cycles at 0.5C (82.8 % capacity retention).</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119143"},"PeriodicalIF":4.1,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143869473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Potential-controlled structural evolution of Bromobenzene on Au(111): Insights from in situ STM","authors":"Chiao-An Hsieh ,&nbsp;Ezhumalai Yamuna ,&nbsp;Shuehlin Yau ,&nbsp;Yuh-Lang Lee","doi":"10.1016/j.jelechem.2025.119141","DOIUrl":"10.1016/j.jelechem.2025.119141","url":null,"abstract":"<div><div>The adsorption behavior of bromobenzene (BrB) on an Au(111) electrode was investigated using in situ scanning tunneling microscopy (STM) under potential control in 0.1 M sulfuric and perchloric acid solutions. Real-time STM imaging revealed that BrB adsorption induced immediate structural changes on the Au(111) surface, including the formation of 2.3 Å deep vacancy islands (VIs) and predominantly disordered BrB structures. The preferential interaction of BrB with Au adatoms, rather than the Au(111) terrace, likely drove VI formation. As the potential increased, BrB coverage expanded, leading to a structural transition from 1D molecular chains to 2D arrays, and eventually to a well-ordered 3D multilayer film. Concurrently, the BrB molecular orientation shifted from a flat-lying to an upright configuration. At positive potentials, the multilayer BrB film remained structurally stable but dissolved upon a negative potential shift and irreversibly decomposed at more negative potentials. Additionally, BrB assembled differently in perchloric acid, highlighting the critical role of anions in interfacial organization. Local linear BrB structures preferentially aligned along the 〈121〉 direction of Au(111), forming triangular fractal patterns and an increasingly disordered 3D film at positive potentials.</div></div>","PeriodicalId":355,"journal":{"name":"Journal of Electroanalytical Chemistry","volume":"988 ","pages":"Article 119141"},"PeriodicalIF":4.1,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}