Colloids and Surfaces A: Physicochemical and Engineering Aspects最新文献

{"title":"Interfacial mechanisms of benzene ring substituent position effects in low-rank coal flotation","authors":"Deke Zhang ,&nbsp;Xicheng Bao ,&nbsp;Yulong Cheng ,&nbsp;Hongji Chen ,&nbsp;Yaowen Xing ,&nbsp;Xiahui Gui","doi":"10.1016/j.colsurfa.2026.139924","DOIUrl":"10.1016/j.colsurfa.2026.139924","url":null,"abstract":"<div><div>Aromatic collectors have demonstrated excellent performance in enhancing the flotation of low-rank coal (LRC). However, the effect of the substituent position on their flotation efficiency is still not clear, stemming from a poor understanding of their molecular behavior at the LRC interface. Flotation tests, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations were conducted to systematically compare the ortho-, meta-, and para-substituted isomers: diethyl phthalate (DEP), diethyl isophthalate (DIP), and diethyl terephthalate (DTP). At 4000 g/t collector dosage, DIP delivers the highest combustible recovery (51.40 %) and the largest first-order rate constant (<em>k</em> = 0.90), compared with DEP (40.64 %, <em>k</em> = 0.48) and DTP (45.64 %, <em>k</em> = 0.56). DFT-derived molecular electrostatic potential calculations indicate that DIP has the lowest molecular polarity index (MPI) of the three collectors (DEP &gt; DTP &gt; DIP). This lower polarity, combined with a smaller exposed polar surface, promotes its durable adsorption on oxygen-rich LRC. Interaction Region Indicator (<em>IRI</em>) and Hirshfeld surface analyses show that interfacial contact strength correlates with the extent of hydrogen-bonding patches at the collector-coal interface. MD simulations further indicate that DIP has more stable adsorption configurations, with more favorable adsorption energies, larger collector-coal solvent-accessible surface areas (<em>SASA</em>), and lower mean-squared displacements (<em>MSD</em>). Collectively, these results establish a clear structure-performance relationship: the balanced polarity and low steric hindrance of the meta isomer yield the most robust adsorption on LRC, while the para isomer is intermediate and the ortho isomer is weakest. These insights provide a quantitative basis for rapid screening and rational design of high-efficiency collectors for enhanced coal recovery.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139924"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185469","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":"Rapid synthesis of metal-complex hydrogen-bonded framework HOF-21 with excellent chloride capture capacity for corrosion protection applications","authors":"Yue Zhao ,&nbsp;Dong-Lei Wang ,&nbsp;Xin-Ya Zhou ,&nbsp;Da-Peng Wang ,&nbsp;Zhi-Yong Sun ,&nbsp;Zheng-Hui Qiu ,&nbsp;Jin-Wei Zhang ,&nbsp;Cun-Guo Lin","doi":"10.1016/j.colsurfa.2026.139941","DOIUrl":"10.1016/j.colsurfa.2026.139941","url":null,"abstract":"<div><div>This work investigates the novel application of a metal-complex hydrogen-bonded framework HOF-21 as an intelligent, chloride-responsive material for superior corrosion protection. A cost-effective and streamlined synthesis of HOF-21 was developed using rapid stirring at ambient conditions, offering a practical alternative to conventional static interfacial method. When embedded in epoxy coatings on copper substrates, HOF-21 significantly enhances anti-corrosion performance, outperforming traditional materials like ZnAl-LDHs. The protection mechanism is tripartite: effective chloride ion capture, reinforcement of the coating’s mechanical properties, and active protection. Experimental analyses, including kinetic and isotherm model fitting, confirm the exceptional chloride adsorption capacity, best described by pseudo-second-order and Temkin models. Molecular dynamics (MD) simulations elucidate the atomic-level mechanism, revealing that a unique hydrogen-bonded cage structure facilitates chloride sequestration. Furthermore, MD simulations demonstrate strong epoxy-HOF-21 compatibility and the formation of an interlocked structure that enhances mechanical cohesion. The active protection is attributed to the ion-exchange of fluorosilicate anions with chlorides. This work establishes M-HOFs as a versatile platform for chloride capture and provides a universal strategy for designing active-intelligent anticorrosion coatings.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139941"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185464","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":"Zein-based composite films containing bioactive glass for potential periodontal tissue regeneration","authors":"Ana G. Lemos ,&nbsp;Davi S.S. Souza ,&nbsp;Giovana C. Zambuzi ,&nbsp;Júlia S. Forster ,&nbsp;Brenda S. Bega ,&nbsp;Marcus V.C. Cardoso ,&nbsp;Andreia F. Faria ,&nbsp;Osvaldo de Freitas ,&nbsp;Kelly R. Francisco","doi":"10.1016/j.colsurfa.2026.139884","DOIUrl":"10.1016/j.colsurfa.2026.139884","url":null,"abstract":"<div><div>Periodontitis, a prevalent inflammatory disease, leads to destruction of periodontal ligaments and alveolar bone, requiring regenerative therapies. Bioactive glass (BG) possesses osteoinductive and antibacterial properties but is limited by brittleness. Zein and hydroxypropyl cellulose (HPC) are promising biopolymers that can enhance BG mechanical stability in composite films. However, their combined use for periodontal therapy remains underexplored. In this study, zein/HPC films containing polyethylene glycol (PEG) and BG (A-PEG-BG (4.2 % zein/1.8 % HPC) and B-PEG-BG (3.6 % zein/2.4 % HPC)) were developed via casting, aiming to enhance mechanical properties and calcium ion (Ca^2 +) release. Films were characterized by Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analyses, scanning electron microscopy (SEM), tensile testing, and Ca²⁺ release in simulated body fluid. Matrix interactions with BG were confirmed by amide band shifts in FTIR, XRD validated amorphous structure and improved films thermal stability was observed due to the increase in degradation temperature. SEM micrographs showed a rough surface of B-PEG-BG film, which may be important for periodontal tissue regeneration and cell infiltration. B-PEG-BG achieved elongation at break 4.685 % and Young's modulus of 82.113 MPa, while A-PEG-BG achieved values of 6.171 % and 57.883 MPa, respectively, demonstrating preserved mechanical integrity of the films. BG-containing films exhibited controlled Ca²⁺ release with zein/HPC ratios influencing kinetics: B-PEG-BG showed faster release, while A-PEG-BG demonstrated sustained release. These findings demonstrate the potential of zein-HPC-BG films as cost-effective biomaterials for periodontal regeneration, encouraging further <em>in vivo</em> applications and clinical efficacy studies.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139884"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185432","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":"Selective ligand thermolysis for modulating hierarchical pore-defect synergistic structures in MIL-125(Ti) and enhancing visible-light photocatalytic degradation performance","authors":"Yajun Wei ,&nbsp;Xuechang Ren ,&nbsp;Jing Yu ,&nbsp;Ning Fu ,&nbsp;Miao Tian ,&nbsp;Qiongqiong Wang ,&nbsp;Gongrong Chen ,&nbsp;Huiying Lei","doi":"10.1016/j.colsurfa.2026.139820","DOIUrl":"10.1016/j.colsurfa.2026.139820","url":null,"abstract":"<div><div>Metal–organic frameworks (MOFs) are promising photocatalysts for the degradation of aqueous organic pollutants, yet Ti-MOFs such as MIL-125(Ti) still exhibit limited visible-light absorption, poor charge-carrier mobility, and insufficient accessible active sites. In this work, we introduce a selective ligand thermolysis strategy to simultaneously construct hierarchical porosity and Ti^3 + –oxygen vacancy defects within a dual-ligand MIL-125(Ti) system (BDC/NH₂-BDC). By exploiting the lower thermal stability of NH₂-BDC, controlled thermolysis at 300 °C under N₂ enables its partial removal while retaining the MIL-125(Ti) framework. The optimized sample (10NHML300) shows an increased specific surface area (from 738 to 1452 m²·g⁻¹), an enlarged total pore volume (0.775 cm³·g⁻¹), and bandgap narrowing (from 2.67 to 2.45 eV), resulting in a synergistic \"pore–defect–band\" configuration that enhances mass transport and visible-light utilization. Under visible-light irradiation, 10NHML300 exhibits a pseudo-first-order rate constant of 0.00985 min⁻¹ for RhB degradation, more than twice that of the pristine material, and completely removes 40 mg·L⁻¹ RhB within 180 min at an optimal dosage of 1.0 g·L⁻¹ . Reactive-species analysis indicates that ·O₂^- and ¹O₂ dominate the oxidation process, while ·OH and h⁺ contribute to deep mineralization through de-ethylation, chromophore cleavage, and ring-opening pathways. The catalyst also shows good cycling stability and broad applicability toward MB, TC, OFX, and phenol. In conclusion, selective ligand thermolysis enables precise coupling of hierarchical pores, defect states, and band-structure modulation, providing an effective and generalizable strategy for constructing high-performance, visible-light-responsive MOF-based photocatalysts for water purification.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139820"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185425","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":"Temperature-responsive Pickering emulsions via ionic liquid-functionalized Janus nanosheets/PNIPAM nanoarchitectonics for efficient cascade reactions","authors":"Yunlei Shi,&nbsp;Wei Lu,&nbsp;Zhuoxue Li,&nbsp;Rui Zhou,&nbsp;Dazhen Xiong,&nbsp;Zhiyong Li","doi":"10.1016/j.colsurfa.2026.139936","DOIUrl":"10.1016/j.colsurfa.2026.139936","url":null,"abstract":"<div><div>Cascade reactions have garnered considerable attention owing to their high efficiency, operational simplicity, and compliance with green chemistry principles. Pickering emulsion with a large reaction interface provides a good platform but remains challenging, such as achieving spatial isolation of distinct catalytically active sites within the emulsion system. Janus nanosheets with asymmetric structures offer an ideal solution to this issue. Herein, ionic liquid-functionalized Janus nanosheets (Janus-IL) were synthesized and subsequently combined with poly(N-isopropylacrylamide) (PNIPAM) to act as emulsifiers for stabilizing Pickering emulsions. Remarkably, the phase behavior of the Pickering emulsion exhibits reversible alternation between emulsification and demulsification upon temperature switching between 25 °C and 40 °C, demonstrating excellent temperature responsiveness. Based on the temperature-switchable emulsion micro-reactor stabilized by the synergistic effect of Janus-IL and PNIPAM, a cascade reaction was successfully carried out, which not only shortened the reaction time and reduced the temperature, but also achieved the coupling of product separation and emulsifier recycling. The strategy delivers a creative route for developing novel stimuli-responsive Pickering emulsions, thereby facilitating the development of environmentally benign and sustainable chemical processes.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139936"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185512","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":"Fabrication of pH-responsive ionic porous organic polymers via ionic liquid mediation for efficient gold recovery from electronic waste","authors":"Yunchang Fan ,&nbsp;Jingjing Chen ,&nbsp;Yanhe Nie ,&nbsp;Sheli Zhang ,&nbsp;Xinjia Wei ,&nbsp;Haibao Zhu","doi":"10.1016/j.colsurfa.2026.139849","DOIUrl":"10.1016/j.colsurfa.2026.139849","url":null,"abstract":"<div><div>From the perspectives of environmental protection and sustainable development, gold recycling is of paramount importance. This study presents a green synthesis of imine-based porous organic polymers (POPs) using an ionic liquid as the reaction medium. The imine groups within the POPs can be protonated under acidic conditions, transforming them into pH-responsive ionic POPs. Through a synergistic mechanism of electrostatic interaction and in situ reduction, the proposed POP demonstrates an exceptional gold adsorption capacity of 1299.6 mg g⁻¹, achieves rapid equilibrium within 15 min, exhibits high selectivity, and maintains excellent reusability over ten consecutive cycles. The adsorption process followed pseudo-second-order kinetic model and the Freundlich isotherm, while thermodynamic analysis confirmed its chemisorption nature. This work not only provides a novel strategy for fabricating ionic POPs but also demonstrates their significant potential for efficient gold recovery from electronic waste.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139849"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185564","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":"In situ self-assembly of Fe-N-C oxygen reduction catalysts and morphology evolution triggered by sulfates","authors":"Linxuan Cao ,&nbsp;Qiongyao Guo ,&nbsp;Qingmin Hu,&nbsp;Junping Dong","doi":"10.1016/j.colsurfa.2026.139708","DOIUrl":"10.1016/j.colsurfa.2026.139708","url":null,"abstract":"<div><div>Transition-metal-nitrogen-carbon catalysts have been considered one of the most promising oxygen reduction catalysts. Generally, direct pyrolysis and template approaches are popular in preparation of ORR catalysts. Yet these methods are restricted to a certain extent due to their inherent flaws. Therefore, the elaborate design and controllable synthesis of catalysts still remain challenges. Here, Polydopamine-derived Fe-N-C catalysts are in situ fabricated by self-assembly strategy. Nanorod-like catalysts were obtained by pyrolysis of FeSO₄-Phen/PDA/F127@trimethylbenzene composite micelles. The introduction of SO₄^2- ion plays a critical role in the morphology evolution from nanospheres to nanorods with the assistance of phenanthroline. The presence of trimethylbenzene (TMB) facilitates the dispersion of single atom Fe on the surface of composite micelles. Thus the simultaneous modulation of active sites and carbon architectures on Fe-N-C catalysts were achieved by finely regulating the interfaces of composite micelles. The novel catalyst exhibits good ORR activity and durability over Pt/C catalyst with more positive half-wave potential and higher current density. The good electrocatalytic performances are attributed to the larger surface areas, hierarchical porous structures and highly active FeN₄ sites. Moreover, Zn-air battery fabricated with Fe-N-C catalysts as the air cathode display higher power density of 116 mW cm⁻² and specific capacity of 713 mA h g⁻¹. This work will open up a new avenue for in situ fabrication of M-N-C catalysts (M=Cu, Co, Ni, Mn, Zn) via self-assembly strategy.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139708"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146045190","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":"Development and comprehensive evaluation of Tetronic® 1304-Labrasol® mixed micelles for lung-targeted drug delivery: A physicochemical, biological, and computational approach for improved pulmonary chemotherapy","authors":"Gaurang Dalsaniya ,&nbsp;Deep Bhalani ,&nbsp;Aakash Shukla ,&nbsp;Mayursing Girase ,&nbsp;Gitika Kharkwal ,&nbsp;Ketan Kuperkar ,&nbsp;Sugam Kumar ,&nbsp;Vinod K. Aswal ,&nbsp;Sadafara A. Pillai","doi":"10.1016/j.colsurfa.2026.139870","DOIUrl":"10.1016/j.colsurfa.2026.139870","url":null,"abstract":"<div><div>Lung-targeted drug delivery has emerged as one of the most promising strategies for treating lung cancer, enhancing local drug accumulation while minimizing systemic toxicity. Pulmonary drug delivery is a key focus of nanomedicine, enabling the direct administration of chemotherapeutics to the lungs. Herein, we report the formulation and detailed physicochemical characterization of mixed micelles composed of Tetronic® 1304, a pH- and thermo-responsive block copolymer, and Labrasol®, a nonionic surfactant known for its emulsifying and permeation-enhancing properties. The phase behavior was evaluated by cloud point (CP) measurements, micellar size and shape by dynamic light scattering (DLS), small-angle neutron scattering (SANS), and relative viscosity by viscosity measurements. The hydrophobic model anticancer drug quercetin (QCT) was encapsulated into mixed micelles, and its increased solubility was confirmed by UV–visible spectroscopy. The <em>in vitro</em> cytotoxicity against lung epithelial adenocarcinoma cells (A549) was studied via an MTT assay, where IC₅₀ values were calculated to define the efficiency of drug-loaded micelles. Moreover, increased intracellular reactive oxygen species (ROS) levels, along with nuclear damage, evidenced that micelles induced both apoptosis and necrosis. These results demonstrated that T1304-Labrasol® mixed micelles are efficient nanocarriers of hydrophobic drugs in pulmonary applications. DFT-based computational analysis revealed that mixing T1304-Labrasol® induces favorable dipole alignment, enhanced thermodynamic stability, and increased electronic softness, collectively promoting stronger intermolecular interactions and improved self-assembly behaviour. This study provides important insight into their possible applications as nanocarriers in lung-targeted chemotherapy and thus constitutes a contribution to developing more active and targeted nanomedicine-based treatments against lung cancer.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139870"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185285","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":"Brownian dynamics simulation of structural evolution in drying colloid-polymer mixtures","authors":"Hyunjeong An,&nbsp;Young Ki Lee","doi":"10.1016/j.colsurfa.2026.139719","DOIUrl":"10.1016/j.colsurfa.2026.139719","url":null,"abstract":"<div><div>Drying-induced structural evolution in colloid–polymer mixtures plays a crucial role in determining the mechanical and functional properties of composite films. Despite its practical relevance, theoretical studies that simultaneously resolve interfacial stratification and pore/packing evolution during drying of colloid–polymer mixtures remain limited. Here, Brownian dynamics simulations were conducted to elucidate the effects of polymer concentration, chain length, and colloid–polymer interactions on the microstructure of dried colloid–polymer films. Polymer addition markedly altered interfacial stratification and particle packing. In the colloid-only dispersed system, colloidal particles progressively accumulated and packed near the liquid–gas interface; in contrast, in colloid–polymer mixtures, the interfacial region became increasingly enriched with polymer during drying, hindering the formation of a densely packed colloidal layer. An increasing polymer concentration promoted the development of a polymer-enriched layer near the liquid–gas interface, suppressing colloidal accumulation and increasing interfacial porosity. Voronoi analysis was employed to quantitatively characterize the colloidal structures formed within the dried films. Higher polymer concentrations led to greater heterogeneity in interparticle spacing and broader pore-size distributions, whereas variations in polymer chain length exerted only a minor influence on the structural evolution within the tested range. Finally, introducing colloid–polymer attraction through a Lennard–Jones potential significantly reduced polymer migration toward the interface, thereby yielding denser packing and narrower pore-size distributions. These findings suggest that colloid–polymer affinity can be an important factor influencing final film morphology under convection-dominated drying. The present study provides insights into microstructural control in functional colloid–polymer coatings and drying processes, while highlighting the utility of simulation-based prediction for film formation.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139719"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076499","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":"Heterojunction tailored-engineering for enhanced photoreduction applications on H2 production and Cr(VI) degradation","authors":"Shu Wang ,&nbsp;Jie Liu ,&nbsp;Yupu Liu ,&nbsp;Dongxu Shi,&nbsp;Jialu Xu,&nbsp;Shuang Han,&nbsp;Wenlong Yang","doi":"10.1016/j.colsurfa.2026.139757","DOIUrl":"10.1016/j.colsurfa.2026.139757","url":null,"abstract":"<div><div>In this work, we propose \"nano-lab\" concept for precisely regulating the energy band structure of heterojunction photocatalysts to achieve tailored heterostructure modulation. The heterostructure was constructed via in situ deposition growth, while atomic doping strategies were employed to precisely modulate the band edge positions. A combination of systematic experimental characterizations and theoretical simulations was utilized to elucidate the charge transfer pathway, heterostructure evolution, and the underlying mechanism of the heterojunction effect. Based on a non-ideal Type-I heterojunction, the introduction of Fe 3d and Zn 4 s orbitals selectively modulated the valence band of SrTiO₃ and the conduction band of Zn_0.7Cd_0.3S, respectively. This resulted in a sequential transformation of the heterostructure from Type-I (CdS/SrTiO₃) to Type-Ⅱ (CdS/Fe–SrTiO₃) and finally to an S-scheme configuration (Zn_0.7Cd_0.3S/Fe–SrTiO₃). As a result, efficient spatial charge separation was achieved in both CdS/Fe–SrTiO₃ and Zn_0.7Cd_0.3S/Fe–SrTiO₃, with the latter exhibiting superior redox thermodynamic potentials. Although Zn_0.7Cd_0.3S/Fe–SrTiO₃ demonstrated the highest Cr(VI) degradation performance, it showed only the second-best H₂ evolution activity due to its reduced visible-light absorption and higher H* adsorption free energy compared to CdS/Fe–SrTiO₃. Therefore, the optimal photocatalyst should not be determined solely by the heterostructure type, but rather by the synergistic interplay of multiple factors governing photocatalytic efficiency.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"737 ","pages":"Article 139757"},"PeriodicalIF":5.4,"publicationDate":"2026-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076622","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}