Langmuir最新文献_第5页

Conductive Binder Integrated with Hydrogen Bonding and Coulombic Interactions Enables Self-Healing and Robust Silicon Anodes 导电粘合剂集成氢键和库仑相互作用，使自愈和稳健的硅阳极

IF 4.4 2区化学

Langmuir Pub Date : 2026-10-20 Epub Date: 2026-10-04 DOI: 10.1021/acs.langmuir.6c03528

Xiaole Yang, Jiajing He, Xinyuan Jiang, Yong Wang, Li-Ping Lv

{"title":"Conductive Binder Integrated with Hydrogen Bonding and Coulombic Interactions Enables Self-Healing and Robust Silicon Anodes","authors":"Xiaole Yang, Jiajing He, Xinyuan Jiang, Yong Wang, Li-Ping Lv","doi":"10.1021/acs.langmuir.6c03528","DOIUrl":"10.1021/acs.langmuir.6c03528","url":null,"abstract":"The poor conductivity and severe volume effect of siliconanodeslead to sluggish lithiation/delithiation kinetics and electrode pulverization,largely impeding the cyclability of the batteries. A multifunctionalbinder system that can simultaneously address these issues is highlydemanded. Herein, we report a conductive interpenetrating gel network(marked as CGP) constructed by cationic guar gum and poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)(PEDOT:PSS) through dynamic H-bonds and Coulombic interactions, whichfurther donates self-healing capability to accommodate volume expansion.The lone-pair electrons of the oxygen and sulfur heteroatoms abundantin CGP coordinate with Li+ to optimize ion diffusion, whilethe conductive PEDOT:PSS facilitates electron transport, togetherachieving stable solid electrolyte interphases and enhanced reactionkinetics. Consequently, the Si@CGP electrode delivers a high initialdischarge capacity of 3997.8 mAh g–1 at 0.5 A g–1 with a Coulombic efficiency of 84.1% and retainsa reversible capacity of 1973.8 mAh g–1 after 100cycles. Notably, it still retains a high capacity of 1428.4 mAh g–1 at 4.0 A g–1, indicating its excellentcyclability and rate performance. The design of a conductive, self-healingbinder may broaden the way toward efficient binder systems for high-performancesilicon anodes.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30676–30686"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149091955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Metal–Organic Framework MIL-101(Cr)-Based Sensor for the Selective Adsorption and Electrochemical Detection of Perfluorooctanesulfonate 金属-有机框架MIL-101（Cr）型全氟辛磺酸选择性吸附及电化学检测传感器

IF 4.4 2区化学

Langmuir Pub Date : 2026-10-20 Epub Date: 2026-10-07 DOI: 10.1021/acs.langmuir.6c03752

Yu-Kang Wang, Eduardo C. Atayde, Jr., Sher Ling Lee, Chun-Hsuan Lin, Kuo-Lun Tung, Yen-Chang Chen, Lin-Chi Chen, Kuo-Chuan Ho, Kevin C.-W. Wu

{"title":"Metal–Organic Framework MIL-101(Cr)-Based Sensor for the Selective Adsorption and Electrochemical Detection of Perfluorooctanesulfonate","authors":"Yu-Kang Wang, Eduardo C. Atayde, Jr., Sher Ling Lee, Chun-Hsuan Lin, Kuo-Lun Tung, Yen-Chang Chen, Lin-Chi Chen, Kuo-Chuan Ho, Kevin C.-W. Wu","doi":"10.1021/acs.langmuir.6c03752","DOIUrl":"10.1021/acs.langmuir.6c03752","url":null,"abstract":"Perfluorooctanesulfonate(PFOS) is a highly persistent and toxicper- and polyfluoroalkyl substance (PFAS) widely recognized for itsserious risks to both environmental and human health. In this work,an electrochemical impedance spectroscopy (EIS)-based sensor was developedfor PFOS detection by integrating a MIL-101(Cr) metal–organicframework (MOF) sensing layer on the working electrode and a nickelhexacyanoferrate (NiHCF)-modified counter electrode. This simple andpractical two-electrode system utilizes the large pore size, highsurface area, and chromium center of MIL-101(Cr) to enable strongelectrostatic and host–guest interactions with PFOS, leadingto pronounced changes in pore resistance upon adsorption. The fabricatedsensor exhibits a linear relationship between PFOS concentrationsand pore resistance, with the limit of detection reaching 10.13 ppt.Selectivity tests demonstrate that excess amounts of common PFAS analogs,humic acid, and inorganic salts do not significantly interfere withthe PFOS signal. This was further validated by statistical analysisusing one-way ANOVA followed by Dunnett’s test, which confirmedthat most interference conditions are not significantly differentfrom PFOS alone. The sensor also shows stable performance over repeatedmeasurements and operates effectively within the pH range of 5–8.Lastly, sensing experiments involving real water samples verify theapplicability of the device for the detection of PFOS in complex matrices.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30730–30742"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rational Design of Highly Fluorescent N-Doped Carbon Nanoparticles for Hg2+ Ion Sensing via Machine Learning and Computational Analysis 基于机器学习和计算分析的高荧光n掺杂碳纳米颗粒Hg2+离子传感的合理设计

IF 3.9 2区化学

Langmuir Pub Date : 2026-10-20 DOI: 10.1021/acs.langmuir.6c03920

Sanjeeb Sutradhar,Pubali Kar,Soumyakanta Prusty,Pallabi Sharma

{"title":"Rational Design of Highly Fluorescent N-Doped Carbon Nanoparticles for Hg2+ Ion Sensing via Machine Learning and Computational Analysis","authors":"Sanjeeb Sutradhar,Pubali Kar,Soumyakanta Prusty,Pallabi Sharma","doi":"10.1021/acs.langmuir.6c03920","DOIUrl":"https://doi.org/10.1021/acs.langmuir.6c03920","url":null,"abstract":"A novel fluorescent sensor was developed using diphenylcarbazone-ligand-functionalized carbon nanoparticles for Hg2+ ion detection. The carbon nanoparticles were synthesized by the hydrothermal method using vitamin C as the carbon source and functionalized with an Hg2+ ion-selective diphenylcarbazone organic ligand via a Schiff base reaction. The as-synthesized carbon nanoparticles exhibited excellent water solubility, a uniform size of 10–12 nm, and a fluorescence quantum yield of 8.4%. The fluorescence intensity was quenched by Hg2+ ions due to the formation of a nonfluorescent complex, resulting in high sensitivity and selectivity in detecting Hg2+ ions. The limit of detection was calculated to be 2.5 nM, indicating high sensitivity and high selectivity for Hg2+ among 12 environmentally relevant metal ions. The formation of a nonfluorescent complex compound was also investigated by the ground-state geometry of the probable complex formation using DFT calculations. This suggested that the mode of interaction between Hg2+ and the functionalized carbon nanoparticles was preferred through the N atom of the DPC ligand rather than the O atom of the −COOH group on the functionalized carbon nanoparticles. A machine learning study with limited data sources, based on carbon source, methodology, limit of detection, and linear range, revealed that the formulation of the performance score is logically meaningful. Furthermore, the electron-transfer process from the functionalized carbon nanoparticles to Hg2+ was investigated using cyclic voltammetry, along with a visualized DFT-calculated electronic energy-level diagram of the frontier molecular orbitals. The practical applicability of the functionalized carbon nanoparticles as a fluorescent probe for Hg2+ ion detection was successfully demonstrated in spiked lake water and tap water using real-sample analysis.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"63 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photocontrol of Foam Stability Using Photoresponsive Cationic Surfactants 光响应性阳离子表面活性剂对泡沫稳定性的光控制

IF 3.9 2区化学

Langmuir Pub Date : 2026-10-20 DOI: 10.1021/acs.langmuir.6c03506

Shiho Yada,Kensuke Kiyohara,Kazuki Yamaguchi,Yukishige Kondo

{"title":"Photocontrol of Foam Stability Using Photoresponsive Cationic Surfactants","authors":"Shiho Yada,Kensuke Kiyohara,Kazuki Yamaguchi,Yukishige Kondo","doi":"10.1021/acs.langmuir.6c03506","DOIUrl":"https://doi.org/10.1021/acs.langmuir.6c03506","url":null,"abstract":"Photoresponsive surfactants provide an effective approach for controlling interfacial phenomena with light. In this study, we investigated the light-driven modulation of foam stability using a series of photoresponsive cationic surfactants containing an azobenzene moiety, CmAzoCnTAB (m/n = 2/2, 2/4, 2/6, 4/2, and 6/2). Trans–cis photoisomerization under UV irradiation was confirmed by UV–vis and 1H NMR analyses. Surface tension measurements revealed that the critical micelle concentration (CMC) increased upon trans–cis photoisomerization and decreased with increasing alkyl chain length. Foam stability was evaluated both above CMC and at concentrations corresponding to the maximum surface tension difference between the trans and cis isomers. Foam stability depended strongly on the terminal alkyl chain length of the hydrophobic tail. Notably, trans-C4AzoC2TAB formed highly stable foams, whereas UV irradiation markedly decreased foam stability via trans–cis photoisomerization. Localized UV irradiation further demonstrated that foam collapse occurred selectively in the irradiated region, enabling spatially controlled defoaming. Based on these results, photoisomerization may alter the interfacial adsorption state and generate interfacial nonequilibrium, which may contribute to foam-film destabilization and subsequent foam collapse. These findings demonstrate that photoresponsive surfactants with appropriately designed alkyl chain lengths enable effective, localized, light-driven control of foam stability.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"1 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

From Passive Barrier to Smart Response: The Evolution of Anti-Corrosion Fillers and Their Adaptive Protection Mechanisms 从被动屏障到智能响应：防腐填料的演变及其自适应保护机制

IF 4.4 2区化学

Langmuir Pub Date : 2026-10-20 Epub Date: 2026-10-08 DOI: 10.1021/acs.langmuir.6c04144

Feng Guo, Junqi Wang, Huanhuan Song, Guoxiang Lu, Xiaoying Liu, Jinsong Rao, Yuxin Zhang

{"title":"From Passive Barrier to Smart Response: The Evolution of Anti-Corrosion Fillers and Their Adaptive Protection Mechanisms","authors":"Feng Guo, Junqi Wang, Huanhuan Song, Guoxiang Lu, Xiaoying Liu, Jinsong Rao, Yuxin Zhang","doi":"10.1021/acs.langmuir.6c04144","DOIUrl":"10.1021/acs.langmuir.6c04144","url":null,"abstract":"Smart responsive anticorrosion fillershave significantly advancedmetal protection by enabling a shift from passive physical barriersto dynamic, adaptive defense systems. This review systematically elucidatesthe evolutionary trajectory from traditional passive barrier fillersand inhibitor-loaded active systems to state-of-the-art smart responsiveplatforms that sense and respond to corrosive microenvironments. Thefundamental design principles and response mechanisms are discussed,focusing on pH, chloride, electrochemical potential, and temperature/humiditystimuli. The critical role of micro/nanostructural engineering-includingcore-shell architectures, hierarchical porosity, and surface functionallayers-in achieving on-demand inhibitor release is highlighted. Advancedstrategies such as hierarchical release kinetics, synergistic inhibitorcombinations, and multifunctional system-level integration are addressed.Finally, key challenges related to interfacial defects, long-termresponse decay, and extreme environment reliability are outlined.This work provides insights into the rational design of next-generationsmart anticorrosion coatings for complex service environments. Thisreview is expected to provide a theoretical foundation and designguidelines for the development of novel adaptive anticorrosion coatingstailored for extreme service conditions.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30517–30544"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149150907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Binary Suspensions of Beeswax and Mineral Pigment Nanoparticles in Aqueous Gelled Media: Macroscopic Stability and Potential Applications for Painting Films 蜂蜡和矿物颜料纳米颗粒在水凝胶介质中的二元悬浮液：宏观稳定性和涂装膜的潜在应用

IF 4.4 2区化学

Langmuir Pub Date : 2026-10-20 Epub Date: 2026-10-09 DOI: 10.1021/acs.langmuir.6c04579

Irina Portnaya, Ekaterina Belozerova, Odiljon Abdurakhmonov, Olesya Katasonova, Marina Koroleva, Anatoliy Yaroshevskiy

{"title":"Binary Suspensions of Beeswax and Mineral Pigment Nanoparticles in Aqueous Gelled Media: Macroscopic Stability and Potential Applications for Painting Films","authors":"Irina Portnaya, Ekaterina Belozerova, Odiljon Abdurakhmonov, Olesya Katasonova, Marina Koroleva, Anatoliy Yaroshevskiy","doi":"10.1021/acs.langmuir.6c04579","DOIUrl":"10.1021/acs.langmuir.6c04579","url":null,"abstract":"Binary suspensions of beeswax and mineral pigment nanoparticlesoffer a promising route to highly stable, water-based formulationsfor coating and painting films. In this work, we systematically characterizedthe stability and structural organization of binary suspensions ofbeeswax and various mineral pigment particles, including Armenianbole, glauconite, ultramarine, cardinal purple, golden ochre, andshungite. Scanning electron microscopy (SEM) revealed that all investigatedmineral pigments naturally occurred as accreted aggregates of nanometer-sizedparticles, with separate individual nanoparticles also identifiedin several samples. These individual pigment nanoparticles rangedfrom 50 to 100 nm, with ζ-potentials from −16 to −37mV. Beeswax nanoparticles, produced by the phase-inversion temperaturemethod, exhibited diameters of 20–25 nm and a ζ-potentialof −7.3 mV. Because the native surface charges of these constituentnanoparticles were insufficient to provide adequate electrostaticstabilization, macroscopic stability against gravitational separationwas achieved by rheologically modifying the continuous phase. Highlystable, nonsedimenting suspensions were successfully formulated bygelling the aqueous phase with 1 mass % Carbopol 940, thereby immobilizingthe phase-mismatched nanostructures via polymer-network confinement.Scanning transmission electron microscopy (STEM) coupled with energy-dispersiveX-ray spectroscopy (EDS) demonstrated that, upon drying, the mineralpigments were embedded within the wax agglomerates or surrounded bythe beeswax nanoparticles. Finally, the film-forming behavior of thesebinary compositions was evaluated through a preliminary qualitativedemonstration of their application in cold encaustic painting.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30999–31009"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149150908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nanobubble-Driven Selective Oxidation of Toluene to Benzaldehyde 纳米气泡驱动甲苯选择性氧化制苯甲醛

IF 4.4 2区化学

Langmuir Pub Date : 2026-10-20 Epub Date: 2026-10-09 DOI: 10.1021/acs.langmuir.6c04953

Rui Yin, Xiyang Long, Qihang Zhang, Naixin Zhang, Xinlan Hou, Mingyi Xie, Yuxi Tian

{"title":"Nanobubble-Driven Selective Oxidation of Toluene to Benzaldehyde","authors":"Rui Yin, Xiyang Long, Qihang Zhang, Naixin Zhang, Xinlan Hou, Mingyi Xie, Yuxi Tian","doi":"10.1021/acs.langmuir.6c04953","DOIUrl":"10.1021/acs.langmuir.6c04953","url":null,"abstract":"Selective oxidation of C(sp3)-H bonds remainsa longstandingchallenge in organic synthesis, especially under environmentally friendlyconditions. Conventional strategies typically rely on harsh oxidantsor complex catalysts, limiting their sustainability and scalability.Nanobubbles can generate highly reactive species during collapse becauseof their unique physicochemical properties. In particular, the gas–liquidinterface of nanobubbles has attracted increasing attention for itsability to concentrate reactants and facilitate radical-driven transformations.Herein, we report a light-assisted ultrasound strategy in which nanobubblesproduce hydroxyl radicals as the primary reactive species for C(sp3)-H bond activation under ambient conditions, without requiringadditional oxidants or catalysts. With toluene as a model substrate,the method afforded 24.3% conversion and 61.6% selectivity towardbenzaldehyde within 4 h. Mechanistic investigations, including isotope-labeling,radical-quenching experiments, and density functional theory (DFT)calculations, revealed that hydroxyl radicals originate from bothwater and dissolved oxygen and selectively abstract benzylic hydrogenatoms. This study establishes an efficient and environmentally friendlyroute for C–H bond oxidation while offering new mechanisticinsights into radical generation at gas–liquid interfaces.We anticipate that this nanobubble-driven strategy will advance thedevelopment of green chemical transformations and may provide opportunitiesfor the development of sustainable oxidation processes.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"31070–31076"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149150927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nonionic Pyrene-Based Amphiphiles Forming Wormlike Micelles: Synthesis and Characterization 形成虫状胶束的非离子型芘基两亲体：合成和表征

IF 4.4 2区化学

Langmuir Pub Date : 2026-10-20 Epub Date: 2026-10-07 DOI: 10.1021/acs.langmuir.6c05434

Emina Debogović, Gaël De Leener, Marc C. A. Stuart, Katarina Marušić, Kristin Bartik, Anamarija Knežević

{"title":"Nonionic Pyrene-Based Amphiphiles Forming Wormlike Micelles: Synthesis and Characterization","authors":"Emina Debogović, Gaël De Leener, Marc C. A. Stuart, Katarina Marušić, Kristin Bartik, Anamarija Knežević","doi":"10.1021/acs.langmuir.6c05434","DOIUrl":"10.1021/acs.langmuir.6c05434","url":null,"abstract":"Wormlike micelles are elongated, flexible supramolecularassemblieswhose dynamic structure and anisotropic morphology have attractedconsiderable interest as functional soft materials. The self-assemblyof amphiphilic molecules into anisotropic supramolecular nanostructuresis governed by a delicate balance between hydrophobic, hydrophilic,and directional noncovalent interactions. Here, we report the synthesisand self-assembly behavior of a series of nonionic pyrene-based amphiphilesbearing oligo(ethylene glycol) headgroups. The aromatic cores promotedirectional self-assembly through π–π interactions,while systematic variation of the linker length was employed to elucidateits influence on aggregate morphology in aqueous media. Fluorescencespectroscopy demonstrated that these amphiphiles exhibit a strongtendency to aggregate in water, while NMR spectroscopy confirmed theirhighly aggregated state. Rather than exhibiting a well-defined criticalmicelle concentration, the compounds revealed a multistep aggregationprocess. Cryogenic transmission electron microscopy (cryo-TEM) showedthat structural modifications direct the formation of either sphericalor wormlike micelles, highlighting the role of the linker length andhydrophilic content in governing aggregate morphology. Differentialscanning calorimetry and temperature-dependent cryo-TEM analysis revealedthermally induced reorganization of the assemblies, with wormlikemicelles evolving into larger aggregates prior to macroscopic phaseseparation. These results establish structure–property relationshipsfor a new class of pyrene-based nonionic amphiphiles and demonstratethat subtle molecular modifications provide an effective strategyfor controlling wormlike micelle formation and thermally induced structuralreorganization in water.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"31168–31177"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149150928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Effect of Surface Heterogeneities on Water Dynamics in Functionalized Carbon Nanopores 表面非均质性对功能化碳纳米孔水动力学的影响

IF 4.4 2区化学

Langmuir Pub Date : 2026-10-20 Epub Date: 2026-10-12 DOI: 10.1021/acs.langmuir.6c04033

Quang K. Loi, Debra J. Searles

{"title":"The Effect of Surface Heterogeneities on Water Dynamics in Functionalized Carbon Nanopores","authors":"Quang K. Loi, Debra J. Searles","doi":"10.1021/acs.langmuir.6c04033","DOIUrl":"10.1021/acs.langmuir.6c04033","url":null,"abstract":"Transport properties of guest moleculeswithin the nanoconfinementof the host are important for the tuning of nanoporous materials tovarious technological applications. In particular, the presence ofwater as an impurity can cause serious performance degradation ofthese materials. Hence, understanding water transport in nanoconfinedspace is important. Although it is well documented that water displaysfast diffusion in pristine carbon pores, various trends in diffusivityas a function of loadings have been observed for different types ofactivated carbons, whose pore surfaces contain various functionalgroups. In this study, we performed molecular dynamics simulationsto elucidate the role of functional groups, which act as surface heterogeneities,in the transport of water. We compared diffusivities of water in slit-shapedpores composed of homogeneous or functionalized layers at differentpore sizes and loadings. It is found that the dynamics of water infunctionalized carbon pores ranges from individual hopping of watermolecules between neighboring localized clusters around the functionalgroups to a facilitated motion along the liquid bridges formed betweenneighboring clusters. There is a noted difference in the trends ofdiffusivities versus loadings for different pore sizes because ofthe presence of functional groups.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30800–30810"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149152101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dual-Confinement Engineering of Co@Carbon Core–Shells within N-Doped Hollow Carbon Fibers for •O2– and ETP Dominated Peroxymonosulfate Activation •O2 -和ETP主导的过氧单硫酸盐活化中n掺杂中空碳纤维Co@Carbon核壳双约束工程

IF 3.9 2区化学

Langmuir Pub Date : 2026-10-20 DOI: 10.1021/acs.langmuir.6c04630

Minghuan Wang,Yilei Zhu,Yunfei Song,Rong Wei,Peng Wei,Zheng Guo,Li Yin,Jianwei Fu

{"title":"Dual-Confinement Engineering of Co@Carbon Core–Shells within N-Doped Hollow Carbon Fibers for •O2– and ETP Dominated Peroxymonosulfate Activation","authors":"Minghuan Wang,Yilei Zhu,Yunfei Song,Rong Wei,Peng Wei,Zheng Guo,Li Yin,Jianwei Fu","doi":"10.1021/acs.langmuir.6c04630","DOIUrl":"https://doi.org/10.1021/acs.langmuir.6c04630","url":null,"abstract":"A dual-confinement strategy integrating spatial and chemical confinement is developed to fabricate cobalt- and nitrogen- doped hollow carbon fibers with embedded Co@carbon core–shells (CoN-HCNFs) for efficient peroxymonosulfate (PMS) activation. The spatial confinement of ZIF-67 within polystyrene fibers prevents cobalt agglomeration during pyrolysis, while the polydopamine-derived carbon shell chemically stabilizes active species and promotes abundant Co–Nx site formation. The optimized CoN-HCNFs-800 catalyst features a high specific surface area (462.62 m2 g–1), well-developed mesoporosity (∼3.80 nm), and superior electron transfer capability, achieving 90.74% tetracycline (TC) degradation within 30 min with an apparent rate constant of 0.132 min–1. Mechanistic investigations reveal that the degradation process is governed by a synergistic combination of radical and nonradical pathways, with superoxide radicals (•O2–, 65.15%) and the electron transfer process (ETP, 47.73%) serving as the dominant contributors. The dual-confinement architecture effectively suppresses cobalt leaching, ensures outstanding cycling stability (84.10% after four cycles, recoverable to 92.79% via thermal regeneration), and steers the reaction mechanism toward a •O2– and ETP dominated synergistic PMS activation. Toxicity assessments (ECOSAR and mung bean phytotoxicity) confirm significantly reduced ecological risk of the treated solution. This work establishes dual-confinement engineering as a paradigm for designing durable, nonradical-pathway-oriented catalysts for antibiotic wastewater remediation.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"16 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0