Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-07DOI: 10.1016/j.apsusc.2026.166213
Aoxin Gao, Binghui Chen, Guodong Cui, Lin Zhang
{"title":"Modulating properties of graphene/h-BN heterostructures by applying strain or external electric fields: an insight into first-principles calculations","authors":"Aoxin Gao, Binghui Chen, Guodong Cui, Lin Zhang","doi":"10.1016/j.apsusc.2026.166213","DOIUrl":"10.1016/j.apsusc.2026.166213","url":null,"abstract":"<div><div>Based on first-principles calculations incorporating van der Waals corrections, this work systematically investigates the structural, thermal, and mechanical properties of graphene/h-BN heterostructures with different stacking configurations. Among three representative stacking configurations including (αB, βH), (αN, βH), and (αB, βN), the (αB, βH) exhibits the highest thermodynamic, dynamical, and mechanical stability. Then, we separately evaluate the modulation of their electronic structures as well as properties related to electronic transportation or optical absorption under tension or external electric fields, elucidating strain-governed transport variations or electric-field-induced optical response tuning. The results show that under tension, the bandgap evolution differs markedly between the elastic and plastic deformation regimes. Meanwhile, strain significantly enhances the anisotropy of electronic states, enabling direction-dependent effective-mass modulation and carrier mobility. Under externally applied electric fields, the stacking configurations exhibit different band-structure responses, originating from field-driven modulation of the interlayer potential and charge redistribution. Moreover, the heterostructures indeed exhibit excellent optical absorption from the near-infrared to the far-ultraviolet region, with the external electric field enabling controllable spectral tuning. Overall, this work elucidates the fundamental mechanisms underlying independent multi-field tuning in graphene/h-BN heterostructures, providing essential theoretical guidance for their application in high-performance electronic and tunable optoelectronic devices.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166213"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146129502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-04DOI: 10.1016/j.apsusc.2026.166149
Botao Li , Zhenwen Yang , Shiyu Niu , Ying Han , Xibo Zhao , Ruiping Wang , Mengmeng Qin , Ying Wang
{"title":"Reactive impregnation wetting drives high-thermally conductive metals to form heat transfer channels on the surface of vertically aligned carbon nanotubes","authors":"Botao Li , Zhenwen Yang , Shiyu Niu , Ying Han , Xibo Zhao , Ruiping Wang , Mengmeng Qin , Ying Wang","doi":"10.1016/j.apsusc.2026.166149","DOIUrl":"10.1016/j.apsusc.2026.166149","url":null,"abstract":"<div><div>Efficient thermal transport network based on vertically aligned carbon nanotubes (VACNTs) require the deposition of a high-quality metal coating. However, due to the chemical inertness of the graphene lattice, conventional metal deposition methods often fail to ensure effective thermal conduction through every CNT within VACNTs array. To address this challenge, we propose a reactive impregnation wetting strategy for creating heat transfer channels between VACNTs and metals. By introducing a reactive element (<em>i.e.,</em> Ti), we promote the impregnation wetting of a high-thermal-conductivity liquid alloy into the array, simultaneously ensuring robust bonding between the VACNTs and smooth copper foils. The resulting Cu-VACNTs-Cu sandwich structure exhibits remarkable thermal transport properties, achieving through-plane of 18.8 W·m⁻<sup>1</sup>·K⁻<sup>1</sup> which represent 2.4-fold improvements compared to pristine VACNTs. Moreover, the contact thermal resistance of our structure is approximately one-third that of pristine VACNTs in direct dry contact with the device. These findings not only optimize the intrinsic heat transfer channels of VACNTs but also introduce liquid metal reactive impregnation wetting strategy as an innovative approach for designing advanced thermal transport networks, fully leveraging the thermal management advantages of VACNTs.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166149"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-08DOI: 10.1016/j.apsusc.2026.166268
Yongsong Liu, Zejian Zheng, Cuiping Jia, Zhanfei Wu, Wenqi Yang, Xinai Ren, Yaohui Liang, Jingrui Kang, Lei Liu
{"title":"Homojunction-structured Li2FeSiO4 bilayer thin-film cathode with differentiated ion kinetics for high-performance solid-state batteries","authors":"Yongsong Liu, Zejian Zheng, Cuiping Jia, Zhanfei Wu, Wenqi Yang, Xinai Ren, Yaohui Liang, Jingrui Kang, Lei Liu","doi":"10.1016/j.apsusc.2026.166268","DOIUrl":"10.1016/j.apsusc.2026.166268","url":null,"abstract":"<div><div>A homojunction-structured Li<sub>2</sub>FeB<sub>0.05</sub>Si<sub>0.95</sub>O<sub>4</sub>/Li<sub>2</sub>FeP<sub>0.05</sub>Si<sub>0.95</sub>O<sub>4</sub> (PN@LFS) double-layer thin-film cathode material with differentiated ionic deintercalation kinetics is designed and fabricated through a sequential process integrating RF magnetron sputtering with rapid thermal annealing technology. The in situ characterization reveals that PN@LFS undergoes a reversible phase transition process in the form of Li<sub>2</sub>FeSiO<sub>4</sub> ⇌ LiFeSiO<sub>4</sub> ⇌ FeSiO<sub>4</sub> during charge–discharge, realizing the deintercalation of the second Li<sup>+</sup> from the lattice structure of Li<sub>2</sub>FeSiO<sub>4</sub>. Under half-cell conditions, the PN@LFS thin film exhibits an initial discharge-specific capacity of 82.5 μAh cm<sup>−2</sup> (305.4 mAh g<sup>−1</sup>) at 0.1C, achieving a capacity preservation rate of 82.2% following 100 charge–discharge cycles. Electrochemical evaluations show that the built-in electric field in PN@LFS reduces the Li<sup>+</sup> deintercalation barrier, boosting ionic deintercalation kinetics during extraction. Furthermore, the PN@LFS/LATP/Li solid-state battery is fabricated with Li<sub>1.3</sub>Al<sub>0.3</sub>Ti<sub>1.7</sub>(PO<sub>4</sub>)<sub>3</sub> (LATP) as the solid-state electrolyte. The PN@LFS/LATP/Li delivers an initial discharge-specific capacity of 73.5 μAh cm<sup>−2</sup> (266.6 mAh g<sup>−1</sup>) under 0.1C-rate conditions, with 74% capacity retention sustained through 100 electrochemical cycles. This research provides novel insights and critical references for the modification of thin-film cathode materials, fostering the advancement and practical implementation of advanced thin-film solid-state lithium-ion batteries.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166268"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-10DOI: 10.1016/j.apsusc.2026.166290
Suhong Lu , Shuo Wang , Yewei Chen , Xinru Chen , Zhongtao Jiang , Chengyu Xu , Jurong Liu , Guilong Liu , Yuzhen Fang
{"title":"High-efficiency HCHO oxidation over dumbbell-shaped Ag/α-MnO2 hollow microshperes with low Ag loading","authors":"Suhong Lu , Shuo Wang , Yewei Chen , Xinru Chen , Zhongtao Jiang , Chengyu Xu , Jurong Liu , Guilong Liu , Yuzhen Fang","doi":"10.1016/j.apsusc.2026.166290","DOIUrl":"10.1016/j.apsusc.2026.166290","url":null,"abstract":"<div><div>Dumbbell-shaped α-MnO<sub>2</sub> hollow microspheres were synthesized via surface chemical oxidation of MnCO<sub>3</sub> microspheres using KMnO<sub>4</sub>, followed by removal of the residual MnCO<sub>3</sub> template with HCl. Subsequently, a series of Ag-modified α-MnO<sub>2</sub> catalysts with nominal loadings of <em>m</em>% Ag (<em>m</em> = 0.05, 0.1, 0.3 and 0.5) were prepared through a redox etching process using H<sub>2</sub>O<sub>2</sub>. The strong interaction between highly dispersed Ag and the α-MnO<sub>2</sub> support was found to enhance the low-temperature reducibility and generate abundant active oxygen species. Furthermore, the presence of Ag increased the concentrations of Mn<sup>2+</sup> and Mn<sup>3+</sup> species, thereby facilitating the formation of oxygen vacancies. Simultaneously, the dynamic redox cycles between Ag<sup>+</sup>/Ag and Mn<sup>4+</sup>/Mn<sup>3+</sup> significantly improved oxygen mobility within the catalyst. These synergistic effects collectively contributed to the outstanding catalytic performance of the 0.3% Ag/α-MnO<sub>2</sub>, which achieved 75.8% HCHO conversion at 30 °C and reached complete conversion at 50 °C. In situ DRIFTS studies revealed that the addition of Ag into α-MnO<sub>2</sub> promoted the carbonate species qulickly converted into CO<sub>2</sub> and H<sub>2</sub>O. Both α-MnO<sub>2</sub> and 0.3% Ag/α-MnO<sub>2</sub> catalyst followed a similar reaction pathway of HCHO → DOM → HCOOH → H<sub>2</sub>CO<sub>3</sub> → CO<sub>2</sub> + H<sub>2</sub>O.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166290"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-01-29DOI: 10.1016/j.apsusc.2026.166126
Lin Jiang , Dingfeng Yang , Wen Jiang , Peng Dai , Ying Zhou , Congming Tang , Yuanyuan Li
{"title":"Nano-layered Zn2In2S5 for the selective photocatalytic oxidation of benzyl alcohol to benzaldehyde under visible light","authors":"Lin Jiang , Dingfeng Yang , Wen Jiang , Peng Dai , Ying Zhou , Congming Tang , Yuanyuan Li","doi":"10.1016/j.apsusc.2026.166126","DOIUrl":"10.1016/j.apsusc.2026.166126","url":null,"abstract":"<div><div>A nano-layered Zn<sub>2</sub>In<sub>2</sub>S<sub>5</sub> photocatalyst, synthesized via a low-temperature oil bath and ultrasonic treatment, has been successfully applied to the selective photocatalytic oxidation of benzyl alcohol to benzaldehyde under visible light. The ultrasonically treated Zn<sub>2</sub>In<sub>2</sub>S<sub>5</sub> demonstrated excellent photocatalytic performance, achieving approximately 55.6% conversion of benzyl alcohol and selectivity towards benzaldehyde in an oxygen-free environment. Electron paramagnetic resonance and radical trapping experiments revealed that the photocatalytic conversion of benzyl alcohol to benzaldehyde is driven by photogenerated holes and carbon-centered radical intermediates. DFT calculations revealed that the S atoms of the ZnS<sub>4</sub> tetrahedra on the surface are the major active sites for activating benzyl alcohol. The study provides a simple approach to construct an efficient nano-layered photocatalyst, showcasing the potential of Zn<sub>2</sub>In<sub>2</sub>S<sub>5</sub> in photocatalytic organic synthesis reactions.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166126"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146072348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-03DOI: 10.1016/j.apsusc.2026.166141
Hanqi Sun, Li Sun, Yong Wang, Wenjing Li, Jiayang Li, Jiawen Cui, Ke Wang, Yihe Zhang
{"title":"Multi-metal Prussian blue analogs with 3D ion channels for high-capacity aqueous zinc-ion battery cathode","authors":"Hanqi Sun, Li Sun, Yong Wang, Wenjing Li, Jiayang Li, Jiawen Cui, Ke Wang, Yihe Zhang","doi":"10.1016/j.apsusc.2026.166141","DOIUrl":"10.1016/j.apsusc.2026.166141","url":null,"abstract":"<div><div>Prussian blue analogs (PBAs) usually exhibit exceptional rate performance and high operating voltage in the case of being used as the cathode of zinc ion batteries (AZIBs). However, as a consequence of the material’s intrinsically low electrical conductivity and the dearth of accessible active sites, they currently face the problems of lower specific capacity and reduced energy density. In this study, a one-step co-precipitation method is utilized to synthesize a multi-element PBAs at room temperature. The doping of transition metals does not significantly change the overall structure of Prussian blue, and the dopant elements are uniformly distributed inside the material, which increased the Zn<sup>2+</sup> active sites, and thus effectively improved the properties of the AZIBs prepared by it. The addition of Co and Mn provides dual redox active sites for NiCoMnHCF, which brings about a marked improvement in the specific capacity of the material, while the addition of Ni contributes to the stabilization of the lattice structure and boosting the intrinsic conductivity. The optimized NiCoMnHCF as AZIBs cathode exhibited an initial high reversible specific capacitance of 138 mAh g<sup>−1</sup> at a current density of 1 A g<sup>−1</sup>, and the capacity preservation rate was 72% after 2000 cycles.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166141"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-07DOI: 10.1016/j.apsusc.2026.166214
Qiuyu Su, Jiajun Huang, Yanhua Song, Wei Teng
{"title":"FeNi2S4/NF photoelectrocatalytic system for high-efficiency tetracycline degradation: mechanistic elucidation and ecotoxicological profiling","authors":"Qiuyu Su, Jiajun Huang, Yanhua Song, Wei Teng","doi":"10.1016/j.apsusc.2026.166214","DOIUrl":"10.1016/j.apsusc.2026.166214","url":null,"abstract":"<div><div>Tetracycline (TC) antibiotics pose ecological risks and contribute to the spread of drug resistance due to their difficult degradation and incomplete treatment, which leaves residues in the environment. Therefore, efficient degradation technologies must be developed urgently. Photoelectrocatalysis (PEC) technology is an environmentally friendly advanced oxidation process with great potential for treating such pollutants in water treatment. In this study, FeNi<sub>2</sub>S<sub>4</sub>/NF photoanode material was successfully prepared through a two-step hydrothermal method. The material showed excellent catalytic activity in the photoelectrocatalytic system. The removal rate of TC was as high as 98.8% within 1 h, and the degradation efficiency only decayed by 1% after five consecutive cycles, demonstrating excellent structural stability. In response to the lack of sufficient empirical evidence on the transformation mechanisms of TC degradation intermediates and their ecotoxicity, this study systematically elucidated the TC degradation pathway and comprehensively evaluated the ecotoxicological impact of the intermediates. Furthermore, the antimicrobial characteristics of FeNi<sub>2</sub>S<sub>4</sub>/NF were extensively investigated to assess its multifunctional properties. The results demonstrated that this photocatalyst has considerable potential for application in the domains of advanced water treatment purification and environmental remediation.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166214"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-08DOI: 10.1016/j.apsusc.2026.166230
A. Casas-Acuña , A.J. Santos , N. Martin , J.J. Jiménez , M. Garzón , R. García , F.M. Morales
{"title":"Thermochromic behavior of Ta-doped VO2 thin films: Influence of configuration, pulsed oxygen and dopant ratio","authors":"A. Casas-Acuña , A.J. Santos , N. Martin , J.J. Jiménez , M. Garzón , R. García , F.M. Morales","doi":"10.1016/j.apsusc.2026.166230","DOIUrl":"10.1016/j.apsusc.2026.166230","url":null,"abstract":"<div><div>This study focuses on the optimization of the optical performance of thermochromic vanadium dioxide (VO<sub>2</sub>) films doped with tantalum. V<sub>x</sub>Ta<sub>1−x</sub>O<sub>2</sub> layers of nominal thickness 50 nm were deposited on glass by co-sputtering of V and Ta in glancing-angle geometry, and subsequent fast annealing in air. The impact of the deposition configuration, either a V<sub>0.973</sub>Ta<sub>0.027</sub>O<sub>y</sub> monolayer or alternating VO<sub>y</sub>/V<sub>0.916</sub>Ta<sub>0.084</sub>O<sub>y</sub> multilayers, and the optional coupling of reactive oxygen pulses (t<sub>ON</sub> = 0, 4, 8 s) was studied for different Ta/V atomic ratios (1, 2.7, 3, and 5Ta). The longest oxygen injection times allow to achieve films with lower transition temperature (T<sub>c</sub>). Although monolayers generally provided superior optical performance, multilayers deposited at higher Ta target currents enabled more effective and reproducible control of the doping level. The best performance for monolayers was achieved with 0.9 at.% Ta, yielding a T<sub>c</sub> of 49.9 °C at heating, a luminous transmittance (T<sub>lum</sub>) near 50%, and solar modulation (ΔT<sub>sol</sub>) and infrared solar modulation (ΔT<sub>IR</sub>) capacities of 4.4% and 9.4%, respectively. For multilayers, the sample with 1.67 at.% Ta has T<sub>c</sub> = 51 °C, T<sub>lum</sub> = 47.3%, ΔT<sub>sol</sub> = 4.3%, and ΔT<sub>IR</sub> = 8.2%. With T<sub>c</sub> values up to 16 °C lower than those of undoped films produced under comparable conditions, these results indicate that Ta doping presents a promising alternative to existing dopants, enabling significant T<sub>c</sub> reduction without substantially compromising the properties required for VO<sub>2</sub>-based smart-window applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166230"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-10DOI: 10.1016/j.apsusc.2026.166280
Eduardo O. Gomes , Ionut Tranca , Juan Andrés , Frederik Tielens
{"title":"Chemisorbed O2 and H2O–driven ROS generation on Ag13 cluster/SiO2 surface: a DFT study","authors":"Eduardo O. Gomes , Ionut Tranca , Juan Andrés , Frederik Tielens","doi":"10.1016/j.apsusc.2026.166280","DOIUrl":"10.1016/j.apsusc.2026.166280","url":null,"abstract":"<div><div>Identifying the reaction mechanisms governing the formation of reactive oxygen species (ROS) at metal/oxide catalytic surfaces is desirable yet remains a challenge due to its heterogeneity and complexity. In this work, we address this gap by elucidating how the Ag<sub>13</sub> <!-->cluster/SiO<sub>2</sub> interface modulates the reactivity of the supported Ag<sub>13</sub> cluster<!--> <!-->on a model of SiO<sub>2</sub> surface, promoting ROS generation upon adsorption of O<sub>2</sub> and H<sub>2</sub>O. Density functional theory (DFT) calculations are employed to understand the reaction pathways at the atomic level by analyzing adsorption energies, charge transfer, and the transition-state (TS) barriers connecting reactants, intermediates, and products.<!--> <!-->DFT-assisted<!--> <!-->free energy profile<!--> <!-->interpretation<!--> <!-->deciphers how the electronic environment of the interface promotes charge separation, enabling efficient electron transfer to the adsorbed O<sub>2</sub> and H<sub>2</sub>O molecules. Two consecutive hydrogen transfer processes from silanol groups (Si-OH) of SiO<sub>2<!--> </sub>to O<sub>2</sub> <!-->facilitate the formation of the precursors of ROS (·O<sub>2</sub><sup>–</sup>, ·OOH, and H<sub>2</sub>O<sub>2</sub>) at the Ag<sub>13</sub> <!-->cluster/SiO<sub>2</sub> interface along two TSs. Our approach provides a deep understanding of key structural rearrangements and electronic changes as the primary drivers for the generation of ROS precursors at the interfacial effective Schottky barrier. These characteristics offer unparalleled opportunities to engineer supported metal catalysts for related chemical reactions.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166280"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Applied Surface SciencePub Date : 2026-05-30Epub Date: 2026-02-09DOI: 10.1016/j.apsusc.2026.166285
Xufei Li , Xinhua Wang , Shumin Yang , Jing Lu , Youzhi Liu , Weizhou Jiao
{"title":"Synergistic effect of magnetic field and interfacial built-in electric field for efficient photocatalytic removal of doxycycline via an Fe-doped BiOCl/CuFe2O4 S-scheme heterojunction","authors":"Xufei Li , Xinhua Wang , Shumin Yang , Jing Lu , Youzhi Liu , Weizhou Jiao","doi":"10.1016/j.apsusc.2026.166285","DOIUrl":"10.1016/j.apsusc.2026.166285","url":null,"abstract":"<div><div>The rapid recombination of photogenerated charge carriers in both the bulk phase and at interfaces remains a primary obstacle in photocatalysis. Herein, a novel magnetic-field-responsive S-scheme heterojunction photocatalyst was constructed via the in-situ growth of CuFe<sub>2</sub>O<sub>4</sub> on Fe-doped BiOCl (denoted as FBOC/CFO). Under visible light assisted by a 100 mT magnetic field (MF), the optimized FBOC/CFO catalyst achieved 94.8% removal of doxycycline (DC) within 40 min, corresponding to a reaction rate constant 4.4 times higher than that of pure BiOCl and 1.6 times higher than that without MF. Detailed characterizations and theoretical calculations revealed a proposed synergistic spin-space double regulation mechanism: the external MF enhanced bulk charge separation via the Lorentz force and spin polarization effects, while the interfacial built-in electric field (IEF) within the heterojunction drove directional spatial charge transfer. This dual regulation drastically suppressed charge recombination, substantially promoted the generation of ·O<sub>2</sub><sup>–</sup> and ·OH, and led to the efficient degradation and detoxification of DC. Furthermore, the FBOC/CFO system demonstrated excellent stability and magnetic recoverability, broad pH applicability (3–11), and versatile pollutant removal efficacy in complex water matrices. This work presents a novel design strategy for high-performance photocatalysts through the rational coupling of external field manipulation and heterojunction engineering.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"729 ","pages":"Article 166285"},"PeriodicalIF":6.9,"publicationDate":"2026-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146426","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}