Langmuir最新文献

{"title":"Periodic Thermal Oscillation Induces Mesoscale Soft Aggregates in a Fully Miscible Ethanol–Water Liquid","authors":"Xinyue Jiang,&nbsp;Yating Shang,&nbsp;Jianhui Li,&nbsp;Zhaoyong Zou,&nbsp;Yanxia Zuo,&nbsp;Yuqun Xie","doi":"10.1021/acs.langmuir.6c05269","DOIUrl":"10.1021/acs.langmuir.6c05269","url":null,"abstract":"<p>Inducing and stabilizing mesoscale structures in fullymisciblemolecular liquids remains challenging because local heterogeneityis usually transient and rapidly averaged out. Here, we show thatperiodic thermal oscillation drives a 50% (v/v) ethanol–watermixture along a traceable nonequilibrium ordering pathway from transientethanol–water clusters to kinetically stabilized soft aggregates.The system evolves from initial clusters to water-containing dropletsas liquid–liquid microphase-separated intermediates, then toethanol-rich acicular flakes, and ultimately to micron-scale flake-stackedaggregates. Fluorescence spectroscopy, two-dimensional correlationanalysis, and nuclear magnetic resonance reveal that this processbegins with perturbation and relaxation of the water-dominated hydrogen-bondnetwork, proceeds through a water–ethanol coassociated intermediate,and culminates in ordered ethanol aggregates. Thermal analysis andin situ Raman spectroscopy further show progressive stabilizationacross the structural hierarchy. These findings demonstrate that periodicthermal forcing can amplify transient molecular heterogeneity intomesoscale soft structures in a fully miscible liquid, providing akinetic perspective on nonequilibrium cluster amplification and microphase-separatedaggregate formation in hydrogen-bonded molecular systems.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"31141–31151"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149150935","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}

{"title":"Synergistic Buried-Interface Dipole Modulation and Conductive Nanofiber Engineering for High-Performance Flexible Perovskite Solar Cells","authors":"Chenyang Shi,&nbsp;Wen Guo,&nbsp;Jinhuan Jiang,&nbsp;Ruizhi Duan,&nbsp;Lixin Song,&nbsp;Jie Xiong","doi":"10.1021/acs.langmuir.6c04654","DOIUrl":"10.1021/acs.langmuir.6c04654","url":null,"abstract":"<p>Flexible perovskite solar cells (f-PSCs) suffer fromburied-interfaceenergy-level mismatch, severe interfacial recombination, and inefficientcharge transport, which limit both device efficiency and stability.Herein, we develop a synergistic strategy by integrating a trimethoxy[3-(phenylamino)propyl]silane (TEPAPS) dipole interlayer with conductive SnO_<em>x</em>/C nanofibers (NFs) to simultaneously regulate theburied interface and perovskite bulk. The TEPAPS interlayer reducesthe work function, improves energy-level alignment, and passivatesinterfacial Pb²⁺ defects. Meanwhile, TEPAPS-modified SnO_<em>x</em>/C NFs act as conductive one-dimensionalframeworks and crystallization templates, promoting grain growth,reducing defect density, and establishing efficient charge-transportpathways throughout the perovskite layer. As a result, nonradiativerecombination is effectively suppressed and carrier extraction isaccelerated. Owing to the synergistic effects of interfacial dipolemodulation and conductive nanofiber engineering, the optimized rigiddevice and flexible devices achieve power conversion efficiencies(PCEs) of 24.11% and 21.63%, respectively. Moreover, the flexibledevice retains 88.2% of its initial efficiency after 600 bending cycles.This work provides an effective approach for simultaneously engineeringburied-interface energetics and bulk charge transport for high-performanceflexible perovskite photovoltaics.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"31020–31034"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149152105","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}

{"title":"Molecular Dynamics-Based Free-Energy Prediction of Pesticide Adsorption on Graphenic and Amorphous Silica Surfaces","authors":"Diego Carvalho,&nbsp;Jorge Cantero,&nbsp;Rodrigo Manassi,&nbsp;Claudia Pereyra Huelmo,&nbsp;Elena Alvareda,&nbsp;Federico Iribarne","doi":"10.1021/acs.langmuir.6c03278","DOIUrl":"https://doi.org/10.1021/acs.langmuir.6c03278","url":null,"abstract":"<p>The removal of agrochemical contaminantsfrom water andsoil isa major challenge in environmental remediation. Adsorption-based treatmentsare widely used for contaminant removal due to their efficiency, scalability,and relatively low cost, making the understanding at the molecularlevel of pesticide–surface interactions essential for improvingremediation strategies. Here, molecular dynamics (MD) simulationswith adaptive biasing force (ABF) were used to evaluate the adsorptionfree energies of several well-known agrochemicals, including glyphosate,atrazine, chlorpyrifos, aminomethylphosphonic acid (AMPA), glufosinate,rotenone, and paraquat, on graphene, graphene oxide, and hydroxylatedsilica surfaces. These materials represent model systems for the carbonaceousand mineral components commonly found in environmental matrices. MDsimulations reveal systematically stronger adsorption on graphene-basedmaterials (≈ −3 to −13 kcal/mol), driven primarilyby dispersion and π-surface interactions, resulting in particularlyhigh affinity for aromatic and compounds with low polarity such asatrazine, chlorpyrifos, and rotenone. In contrast, adsorption on hydroxylatedsilica is substantially weaker (≈ −1 to −3 kcal/mol)and reflects competition between hydrogen bonding, electrostatic interactionswith surface silanol groups, and interfacial hydration. Polar molecules,such as glyphosate, glufosinate, and AMPA, interact mainly throughhydration-mediated mechanisms, while other compounds, such as paraquat,exhibit intermediate behavior due to their planar aromatic structure.Overall, these findings provide a thermodynamic rationale at the molecularlevel for the role of soil organic carbon in limiting pesticide leachingand suggest that carbon amendments designed with complementary mineralphases may enhance the retention capacity of natural substrates.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30604–30619"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149219021","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}

{"title":"Multiscale Surface Topography of Hydrophilic Scallop Shells Is Associated with the Retention of Culturable Bacteria under Static and Dynamic Conditions","authors":"Yifei Wang,Haotian Deng,Haojie Bai,Jiayi Zhao,Jun Hu","doi":"10.1021/acs.langmuir.6c02499","DOIUrl":"https://doi.org/10.1021/acs.langmuir.6c02499","url":null,"abstract":"When droplets carrying bacteria land on the medical device’s surface, they can cause contamination and promote biofilm formation. This study examined the impact behavior of droplets on five natural shell surfaces with varying hydrophilicity and surface texture, aiming to screen for surfaces that are both noncytotoxic and resistant to bacterial adhesion. Among these surfaces, the scallop surface exhibited the strongest resistance to bacterial adhesion and supported short-term BMSC attachment and viability, while the Babylonia shell surface showed the highest bacterial attachment. Notably, the most significant difference in antiadhesion performance between the scallop and the Babylonia shell occurred at low impact energy (We ≈ 16), where droplets neither rebounded nor splashed, yet the macro- and microscale structures on the scallop surface had already begun to interact effectively with the droplets. At higher Weber numbers, droplet impact dynamics may further enhance this resistance by generating local pressure gradients and shear forces, which may reduce bacterial retention on the surface, thereby amplifying the antiadhesion effect. Therefore, the superior antiadhesion of the scallop surface is associated with the synergistic action of its topography and droplet dynamics: its sharp nanoscale protrusions and high roughness may provide a foundational antiadhesion effect, while droplet impact dynamics may further amplify this effect. Notably, the scallop surface is not the most resistant in the nonimpact control, but performs best under dynamic impact, consistent with its topographical features being particularly responsive to hydrodynamic forces.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"71 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221733","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}

{"title":"Design Principles for Oxygen-Tolerant Surface-Initiated Photoinduced Atom Transfer Radical Polymerization toward Thick Polymer Brushes","authors":"Tsukuru Masuda,Kazuya Sakaguchi,Ryota Nomura,Soma Uematsu,Rikima Kuwada,Takamasa Sakai","doi":"10.1021/acs.langmuir.6c05088","DOIUrl":"https://doi.org/10.1021/acs.langmuir.6c05088","url":null,"abstract":"Polymer brushes are one of the most promising surface modification strategies, owing to their well-defined interfacial architecture. With recent advances in oxygen-tolerant atom transfer radical polymerization (ATRP), visible-light-driven photoATRP with dual photoredox/copper catalysis is particularly versatile. However, translating oxygen-tolerant ATRP from solution-phase polymerization to surface-initiated polymerization is not straightforward because polymer brush growth is governed by both solution-phase kinetics and surface-specific processes. In this study, we report design principles for oxygen-tolerant SI-photoATRP by systematically correlating surface-initiated polymer brush growth with solution-phase polymerization using eosin Y (EY)-mediated dual photoredox/copper catalysis as a model system. The initial concentration of the free initiator was found to be a key factor governing surface growth efficiency. The kinetic analysis performed at representative initiator concentrations further clarified the relationship between the surface-initiated polymer brush growth and solution-phase polymerization. An iterative SI-photoATRP process successfully facilitated the growth of thick polymer brushes with a maximum dry film thickness of 438 nm, without deoxygenation. The interfacial properties in the thick polymer brushes were also tunable according to the molecular design, as demonstrated by contact angle measurements. These findings provide a practical framework for the rational design of polymer interfaces via SI-photoATRP under oxygen-tolerant conditions.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"34 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221734","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}

{"title":"Deep Eutectic Solvent- and Ionic Liquid-Based Surfactant-Free Microemulsion Stabilized by H-Bonded Clusters: Interfacial Stabilization and Superactivity of Cytochrome-c","authors":"Rajwinder Kaur,&nbsp;Muskan Kondal,&nbsp;Ravi Dutt,&nbsp;Raghav Singhal,&nbsp;Jitendra Bahadur,&nbsp;Tejwant Singh Kang","doi":"10.1021/acs.langmuir.6c03164","DOIUrl":"10.1021/acs.langmuir.6c03164","url":null,"abstract":"<p>The need to develop novel and sustainable media withoutusing conventionalsurfactants has driven the development of surfactant-free microemulsions(SFMEs). Deep eutectic solvents (DESs) and ionic liquids (ILs) aregreat alternatives to conventional organic solvents, using which SFMEscan be prepared. Herein, an SFME has been prepared using a DES basedon the natural components <em>L</em>-arginine and lactic acidas the polar phase; 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonylimide),a hydrophobic ionic liquid (HIL), as the nonpolar phase; and ethanolas an amphiphile. The SFME has been duly characterized to establishits structural organization at the molecular level by employing varioustechniques such as conductivity measurements, dynamic light scattering(DLS), small-angle X-ray scattering (SAXS), Fourier-transform infrared(FTIR) spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy.Investigations on the internal structure of the SFME reveal that ethanoldoes not form an effective barrier layer, instead, it forms hydrogen-bonded(<em>H</em>-bonded) solvent domains interacting mainly withDES nanoclusters, followed by the imidazolium cation at the HIL polar–nonpolarinterface. The presence of such nanoinhomogeneity at the solvent interfacesimparts an associative nature to microemulsion droplets, which hasnever been reported before. The prepared SFME has been employed asa nanoreactor to explore the catalytic activity of cytochrome-c (Cyt-c).Variation in the phase composition of the SFME markedly affects theenzyme activity, wherein the DES-in-HIL phase of the SFME offers anoptimal environment for ∼6.5 folds enhancement in enzyme activityas compared to that observed in buffer. The favorable cation-πand <em>H</em>-bonding interactions of arginine and lacticacid at the DES–ethanol interface, along with ethanol clusters,stabilize the structure of Cyt-c. This study provides new insightsinto the structural and functional aspects of SFMEs, which will encouragethe development of new SFME systems for a broad spectrum of biocatalyticapplications, along with the utilization of nanoinhomogeneity forconstructing hierarchically self-assembled materials.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30590–30603"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092055","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}

{"title":"Magnetically Recyclable Fe3O4/Au Nanocomposites for Efficient Degradation of Organic Dyes via Tribocatalysis","authors":"Min Xu,&nbsp;Lu Xia,&nbsp;Zhayun Gong,&nbsp;Yin Qiao,&nbsp;Hefeng Xu,&nbsp;YuJie Liu,&nbsp;Pei Huang,&nbsp;Xun Wang,&nbsp;Xiaodong Chu","doi":"10.1021/acs.langmuir.6c03705","DOIUrl":"10.1021/acs.langmuir.6c03705","url":null,"abstract":"<p>Tribocatalysis,which converts mechanical energy into chemicalenergy, offers a green route for water treatment, yet efficient, recoverable,and durable tribocatalysts remain scarce. Herein, a magnetic Fe₃O₄/Au nanocomposite was developed for organic dyedegradation. Although Fe₃O₄/Au has been widelystudied in photocatalysis and Fenton-like systems, its tribocatalyticapplication is largely unexplored. The composite was synthesized bya solvothermal method using polyethylenimine as a scaffold, followedby grafting dithiocarbamate and self-assembling AuNPs (5–20nm) onto Fe₃O₄ hollow microspheres (∼200nm). Characterization (XRD, TEM, SEM, XPS, BET, VSM) confirmed a stableheterostructure with mesoporous features (21.3 m²/g) andstrong superparamagnetism (66.84 emu/g), enabling magnetic recoverywithin 15 s. XPS revealed a +0.07 eV shift of Fe 2p_3/2 uponAu loading, evidencing interfacial electron transfer from Fe₃O₄ to Au and formation of a Schottky barrier that promotescharge separation. Under optimized stirring (500 rpm, 5 h), Fe₃O₄/Au achieved 100% degradation of (RhB) (5 mg/L,50 mL) with a rate constant of 0.7751 h^–1, outperformingpure Fe₃O₄ and AuNPs. The near-neutral pH condition(pH ≈ 7) was found to be optimal for the tribocatalytic performance.Radical scavenger and EPR experiments identified ^•OH as the primary active species and ^•O₂^– as secondary. TOC analysis showed 71% mineralization.The catalyst retained 97.47% efficiency after five cycles with negligibleFe (&lt;0.006 ppm) and Au (&lt;0.001 ppm) leaching, and preservedmorphology. RhB degraded faster than Methylene Blue, Crystal Violet,Acid Orange 7, and Methyl Orange, correlating with molecular bondstrengths. This work demonstrates a novel mechanical-to-chemical energyconversion pathway for sustainable water treatment.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30699–30717"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092480","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}

{"title":"Synthesis of Calcium Sulfate Nanocrystals via Confined Reaction in Ion-Enriched Instantaneous Microdomains","authors":"Ruokai Liu,&nbsp;Zhu Shu,&nbsp;Borui Zhang,&nbsp;Junqing Zhang,&nbsp;Qiang Xue,&nbsp;Jun Zhou","doi":"10.1021/acs.langmuir.6c04529","DOIUrl":"10.1021/acs.langmuir.6c04529","url":null,"abstract":"<p>Hemihydrate calcium sulfate nanocrystals hold promisingpotentialin biomedical and industrial applications. Conventional synthesismethods typically necessitate high temperatures/pressures, acidic/alkalinemedia, or expensive organic reagents. This study proposes a facileapproach: when dripping CuSO₄ aqueous solution into CaCl₂ ethanol solution, driven by SO₄^2–, CuSO₄ droplets are immediately transformed into numerousSO₄^2–-enriched instantaneous microdomains,where Ca²⁺ and SO₄^2– undergoa confined reaction and aggregate into calcium sulfate crystals, whileethanol suppresses crystal growth, thereby yielding hemihydrate calciumsulfate nanocrystals. Under optimized conditions, the prepared pure-phasecalcium sulfate crystals belong to the α-hemihydrate phase andthe trigonal space group <em>P</em>3₂21, havingdiameters of 30–80 nm and lengths of 100–350 nm. Theprocess enables the cost-effective and environmentally friendly preparationof calcium sulfate nanocrystals under mild ambient conditions withoutacid or base, while allowing ethanol recycling and CuCl₂ byproduct recovery.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30976–30987"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149150932","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}

{"title":"Unveiling the Mica-Interlayer-Mediated Exfoliation of β-Ga2O3 Thin Films","authors":"Xiaohuan Dai,&nbsp;Siqi Yang,&nbsp;Renhong Liang,&nbsp;Shanming Ke","doi":"10.1021/acs.langmuir.6c03858","DOIUrl":"10.1021/acs.langmuir.6c03858","url":null,"abstract":"<p>Mechanicallyexfoliable oxide membranes on mica are promising forflexible optoelectronics, but the actual fracture pathway during oxide/micadelamination remains unclear. Here, β-Ga₂O₃ thin films were epitaxially grown on mica by pulsed laser deposition,and their tape-assisted exfoliation behavior was investigated. Althoughthe films could be transferred onto adhesive supports, mica-relatedresidues were repeatedly detected on the backside of the exfoliatedβ-Ga₂O₃ films. Combined XRD, SEM/EDS line-scan,XPS, and rocking-curve results show that exfoliation does not occurthrough clean separation at the β-Ga₂O₃/mica interface, but instead involves cleavage within the mica substrate.First-principles calculations show that the β-Ga₂O₃/mica adhesion energy reaches 40.6 meV Å^–2, approximately 40% higher than the mica interlayer cleavage energyof 28.9 meV Å^–2, supporting the preferentialmica-interlayer fracture pathway. Energy decomposition further revealsthat the DFT-D3 dispersion term accounts for 46.5% of the calculatedβ-Ga₂O₃/mica work of separation, challengingthe simplified assumption of a purely vdW-bonded oxide/mica interface.This work identifies a mica-interlayer-mediated exfoliation mechanismand provides guidance for controlled transfer and interfacial cleanlinessof flexible β-Ga₂O₃ membranes.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30753–30760"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149152104","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}

{"title":"Simultaneous Removal of Cu2+/Cd2+ by Sulfidized nZVI/MXene Composites: Experimental and DFT Studies","authors":"Yuan Zhao,&nbsp;Jiantao Li,&nbsp;Jiang-Bo Huo,&nbsp;Ying Liu","doi":"10.1021/acs.langmuir.6c02358","DOIUrl":"10.1021/acs.langmuir.6c02358","url":null,"abstract":"<p>Thecopresence of copper (Cu²⁺) and cadmium (Cd²⁺) in water poses a serious threat to aquatic ecosystems dueto their combined toxicity, persistence, and potential for bioaccumulation.Because of the hazardous effects of both ions, the simultaneous removalof Cu²⁺ and Cd²⁺ in aquatic environments isof great significance. Herein, novel sulfide-modified nanozerovalentiron (S-nZVI)/MXene composites were prepared by in situ embeddingS-nZVI nanoparticles into an MXene lamellar structure. Different characteristictechniques such as SEM, HRTEM, XRD, FTIR, XPS, and BET suggest thatS-nZVI was evenly anchored to the MXene layers, effectively mitigatingtheir clustering. Nitrogen adsorption-desorption showed that the specificsurface area of S-nZVI@MXene was approximately 29.77 m²/g, which is 1.64 times more than that of MXene (17.84 m²/g). Batch experiments demonstrated that S-nZVI@MXene exhibits excellentremoval efficiency for Cu²⁺ and Cd²⁺ in a binarysolution. At pH = 5.4, the maximum adsorption capacities of S-nZVI@MXenefor Cu²⁺ and Cd²⁺ were 67.85 and 56.33 mg/g,respectively. The pseudo-second-order kinetic model and Langmuir isothermmodel were more suitable for describing the adsorption, implying thenature of single-layer chemical adsorption. Results of experimentaland density functional theory (DFT) calculations jointly indicatedion-exchange reactions and surface complication. After three reuses,S-nZVI@MXene maintained removal efficiencies of 97.8% and 62.54% forCu²⁺ and Cd²⁺, respectively. S-nZVI@MXene showsgreat potential as an adsorbent for simultaneously removing Cu²⁺ and Cd²⁺ from wastewater.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"42 41","pages":"30545–30560"},"PeriodicalIF":4.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149091848","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}