Chenyu Zhu , Chunfu Liu , Han Wang , Peng Lu , Shuhao Gao , Chenliang Peng , Lingyun Liu , Fanfei Min
{"title":"Interfacial interaction mechanisms of cationic–anionic mixed collectors on quartz surfaces: A combined density functional theory and molecular dynamics study","authors":"Chenyu Zhu , Chunfu Liu , Han Wang , Peng Lu , Shuhao Gao , Chenliang Peng , Lingyun Liu , Fanfei Min","doi":"10.1016/j.surfin.2025.107762","DOIUrl":"10.1016/j.surfin.2025.107762","url":null,"abstract":"<div><div>This study investigates the synergistic adsorption mechanism of anionic/cationic mixed collectors on quartz surfaces to enhance the flotation separation of low-grade quartz. Combining density functional theory (DFT) and molecular dynamics (MD), we systematically analyzed the adsorption behavior of dodecylamine (DDA), sodium oleate (NaOL), and cetyltrimethylammonium bromide (CTAB) as single and mixed collectors, with emphasis on electronic structure, molecular configuration, and interfacial properties. DFT calculations revealed that the cationic CTAB exhibited the highest adsorption energy among the single collectors. The introduction of the anionic NaOL further reduced the adsorption energy, demonstrating a significant synergistic effect. MD simulations of different mixing ratios of cationic-anionic mixed collectors reveal that the optimal ratio is 2:16 for DDA and NaOL, and 9:9 for CTAB and NaOL, which significantly alter the interfacial hydrophobicity. This multi-scale approach, spanning from electronic to molecular to interfacial levels, elucidates the enhanced flotation mechanism of mixed collectors, providing a theoretical basis for the efficient separation and resource utilization of low-grade quartz.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107762"},"PeriodicalIF":6.3,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223301","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}
Jeong-Min Choi , Kang-Min Lee , Seul-Gee Lee , Sang-Hee Kim , Hye-Min Kim , Myeong-Hoon Lee
{"title":"Effects of ZnAl-LDH on the corrosion resistance of heat-treated Al-Zn-Si coatings with a new elemental composition for hot stamping","authors":"Jeong-Min Choi , Kang-Min Lee , Seul-Gee Lee , Sang-Hee Kim , Hye-Min Kim , Myeong-Hoon Lee","doi":"10.1016/j.surfin.2025.107761","DOIUrl":"10.1016/j.surfin.2025.107761","url":null,"abstract":"<div><div>This study proposes a method to significantly enhance the corrosion resistance of Al-Si coatings for protecting press hardening steel by alloying them with Zn. The AZS coating containing Al as the balance, 20±0.5 wt.% Zn, 9.5 wt.% Si, was produced with low Zn content. Despite the modest amount of Zn, it effectively served as a sacrificial anode to protect the substrate under austenitization conditions. The ±30 °C variation in austenitizing temperature around 900 °C caused structural deformation of the Al-dendrite phase within the coating, which in turn affected the galvanic corrosion rate at the Al-Zn interface. These differences significantly altered the electrochemical behavior and shielding properties of ZnAl-LDH, resulting in variations in the corrosion resistance of the coating. Additionally, when the heat treatment duration was increased by 2 min based on the 5 min heat treatment condition at 900 °C, the corrosion resistance of the AZS coating significantly decreased. The difference in corrosion resistance characteristics under these heat treatment conditions is attributed to the duration of nucleation growth of ZnAl-LDH on the coating surface and the insertion timing of guest anions such as CO<sub>3</sub><sup>2-</sup> and Cl<sup>-</sup>.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107761"},"PeriodicalIF":6.3,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223516","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}
{"title":"Fabrication and characterization of two-dimensional Zn-doped Ga₂O₃-based oxide films using liquid metal alloys","authors":"Chung-Yu Huang , Chun-Tse Wei , Cheng-Lun Hsin , Chun-Wei Huang","doi":"10.1016/j.surfin.2025.107753","DOIUrl":"10.1016/j.surfin.2025.107753","url":null,"abstract":"<div><div>This study aims to precisely synthesize nanoscale two-dimensional Zn doped with Ga₂O₃/In₂O₃ nanostructured layers via the transfer process using liquid Ga-Zn and EGaIn-Zn alloys at room temperature, comparing the differences in their properties. The central finding of the study confirms that zinc doping is an extremely effective strategy for precisely tuning the various properties of gallium oxide-based films. This tunability, the most significant outcome of the research, spans from the physical properties of the precursor liquid metal to the band structure and photoresponse of the final film. In terms of key quantitative results, the study clearly demonstrates effective bandgap engineering: in the gallium-based metal system, doping with 2 wt% zinc significantly reduces the film's bandgap from 5.03 eV to 4.33 eV; in the eutectic gallium-indium (EGaIn)-based metal system, the effect is even more pronounced, with the bandgap decreasing substantially from 4.56 eV to 3.28 eV. Additionally, experiments will be designed to enhance the photoelectric performance of metal compounds, providing a basis for selecting detector materials for different wavelengths in future applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107753"},"PeriodicalIF":6.3,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223303","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}
{"title":"Electric field effects on CO2 adsorption and electronic transport in MoS2: toward FET-based gas sensors","authors":"Jariyanee Prasongkit , Saowanaporn Tangsukworakhun , Adisak Boonchun , Rodrigo G. Amorim , Pornjuk Srepusharawoot , Sriprajak Krongsuk","doi":"10.1016/j.surfin.2025.107755","DOIUrl":"10.1016/j.surfin.2025.107755","url":null,"abstract":"<div><div>Two-dimensional (2D) materials are promising candidates for gas sensing, but achieving selective CO₂ sensing remains challenging. Here, we combine density functional theory and nonequilibrium Green's function calculations to study how varying electric field strength modulates adsorption on the surface and quantum transport within monolayer MoS₂. Among the six gases investigated (CO, CO₂, CH₄, O₂, N₂, and H₂O), only CO₂ exhibits a transition from physisorption to chemisorption under the applied field, resulting in stronger binding. In contrast, N₂ and O₂ desorb, enabling selective CO₂ adsorption. At higher CO₂ coverages, the electric field enhances adsorption stability but cannot completely prevent saturation. We further explore CO₂ detection using MoS₂ FETs under gate-induced fields. The current sensitivity rises from 1.7 % for one adsorbed molecule to 64.3 % for five, while recovery time decreases. These results clarify the role of electric fields in tuning surface adsorption and charge transport in 2D semiconductors, supporting the design of FET-based gas sensors</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107755"},"PeriodicalIF":6.3,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270732","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}
Guohui Yang , Huanqiang Liu , Hongxing Zhong , Zhipeng Bai , Fangfang Zhi , Qian Chen , Pengfei Zhu , Xing Liu , Hongqiang Chu , Linhua Jiang
{"title":"Inhibition properties and mechanism of DNA primer inhibitor for Q355 mild steel corrosion in simulated seawater","authors":"Guohui Yang , Huanqiang Liu , Hongxing Zhong , Zhipeng Bai , Fangfang Zhi , Qian Chen , Pengfei Zhu , Xing Liu , Hongqiang Chu , Linhua Jiang","doi":"10.1016/j.surfin.2025.107759","DOIUrl":"10.1016/j.surfin.2025.107759","url":null,"abstract":"<div><div>The deoxyribonucleic acid (DNA) primer inhibitor is synthesized based on biological sequences using gene synthesis techniques. This paper investigates the inhibition properties and mechanism of DNA primer inhibitor for the Q355 mild steel in simulated seawater. Results of the mass loss and electrochemical testing demonstrate that DNA primer inhibitor can significantly inhibit the corrosion process and raise the self-corrosion potential of the Q355 mild steel, and the 4 % concentration is optimal for corrosion inhibition. And the highest inhibition efficiency is up to 97.8 %. The surface appearance analysis shows that the Q355 mild steel with DNA primer inhibitor exhibits the lowest level of roughness and the least amount of corrosion products. And the average roughness of the steel surface decreased from 196 nm to 47.1 nm with addition of the 4 % DNA primer inhibitor. The element composition analysis demonstrate that the inhibition properties of the DNA primer inhibitor may be related to the participate in the forming of a protective film on the mild steel surface. Furthermore, the inhibition mechanism of the DNA primer inhibitor is examined by molecular dynamics.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107759"},"PeriodicalIF":6.3,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223300","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}
Mahmoud H. Elshorbagy , Maria Gil-deCaria , Juan C. Martinez-Anton , Alexander Cuadrado , Luis Miguel Sanchez-Brea , Javier Alda
{"title":"Novel durable broadband absorber with hierarchical nano/micro photonic structure","authors":"Mahmoud H. Elshorbagy , Maria Gil-deCaria , Juan C. Martinez-Anton , Alexander Cuadrado , Luis Miguel Sanchez-Brea , Javier Alda","doi":"10.1016/j.surfin.2025.107728","DOIUrl":"10.1016/j.surfin.2025.107728","url":null,"abstract":"<div><div>This study presents an innovative fabrication method that integrates chemical bath etching and anodization to produce a hierarchical nano/micro-structured surface on aluminum substrates. The proposed methodology is simple and uses conventional equipment and chemical components, generating quasi-crystalline nanostructures over a large area of several cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span>. By successfully anodizing a porous aluminum surface, we combine the beneficial physical properties at both scales: the low density of the rigid porous aluminum structure and the low reflectance of the robust Anodized Aluminum Oxide (AAO) layer. This dual morphology significantly enhances the material’s optical and mechanical performance, resulting in a broadband, highly absorptive, and durable surface. The increase in hardness is linked to the generation of a porous layer through chemical etching, and the reduction in optical reflectivity in the visible and near infrared is mainly caused by the presence of nano-holes produce by anodization. The final sample demonstrates a remarkable improvement in hardness, with a twofold increase in the Vickers hardness number compared to conventional AAO layers, and a threefold increase compared to the porous aluminum layer alone. Additionally, the reflectivity of the fabricated surface is reduced by 25% relative to traditional AAO layers. These findings highlight the potential of this hybrid fabrication technique for applications requiring surfaces with superior light absorption, mechanical durability, and anti-reflective properties, such as in solar energy harvesting, optical devices, and protective coatings.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107728"},"PeriodicalIF":6.3,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183781","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}
{"title":"Influence of annealing temperatures on the structural, optical and electrical properties of vanadium-doped ZnO thin films","authors":"Apoorva Katoch , Navneet Kaur , Balraj Singh , Vandana Shinde , Raminder Kaur","doi":"10.1016/j.surfin.2025.107748","DOIUrl":"10.1016/j.surfin.2025.107748","url":null,"abstract":"<div><div>This study investigates the influence of annealing temperature on the structural, optical, and electrical properties of pure and vanadium (V)-doped zinc oxide (ZnO) thin films prepared by the sol–gel dip-coating method. Three compositions were examined: undoped ZnO (ZV0), 1% V-doped ZnO (ZV1), and 3% V-doped ZnO (ZV3). The films were annealed from the as-deposited state up to 600 °C and characterized using X-ray diffraction, UV–Visible spectroscopy, Fourier-transform infrared spectroscopy, photoluminescence, and current–voltage measurements. The crystallite size varied around 42-46 nm, while the optical band gap decreased with increasing annealing temperature lowest value was recorded 3.00 eV for ZV 3 at 400 <strong>°C</strong>. The Urbach energy ranged from <strong>0.35 to 1.11</strong> <strong>eV</strong>, reflecting changes in defect states. Electrical analysis revealed a significant reduction in threshold voltage, with the lowest value of <strong>0.25</strong> <strong>V observed for the ZV3 sample annealed at 400 °C</strong>. These results demonstrate that annealing strongly governs crystallinity, defect density, and charge transport, with ZV3 annealed at 400 °C showing the most promising performance for optoelectronic applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107748"},"PeriodicalIF":6.3,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145269990","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}
Changlong Jiang , Yitong Yue , Yiming Wang , Bing Zhou , Gaojie Han , Ming Huang , Yuezhan Feng , Chuntai Liu
{"title":"Electro-magnetic dual-gradient MXene@Ni/Aramid nanofiber film for low-reflection electromagnetic interference shielding","authors":"Changlong Jiang , Yitong Yue , Yiming Wang , Bing Zhou , Gaojie Han , Ming Huang , Yuezhan Feng , Chuntai Liu","doi":"10.1016/j.surfin.2025.107756","DOIUrl":"10.1016/j.surfin.2025.107756","url":null,"abstract":"<div><div>Low-reflection electromagnetic interference (EMI) shielding materials have attracted increasing attention due to their capability to prevent secondary electromagnetic pollution, yet simultaneously achieving high EMI shielding effectiveness (SE) and low reflection remains a major challenge. In this study, heterostructure MXene@Ni hybrids were first synthesized, followed by the fabrication of a multilayered MXene@Ni/ANF film with an electro-magnetic dual-gradient structure via a layer-by-layer vacuum-assisted filtration process. The electro-magnetic dual-gradient structure was achieved by precisely controlling the MXene-to-Ni loading ratio and implementing a specific filtration sequence. The engineered gradient layered structure regulate the electromagnetic properties by modulating the mass ratio of MXene to Ni in each MXene@Ni/ANF layers. As a result, the composite film with precise control of the electro-magnetic gradient transition layers and reflection layer achieved excellent impedance matching and electromagnetic wave dissipation, ultimately resulting in remarkably efficient EMI shielding performance (37.6 dB) with low reflection characteristic (a low reflection coefficient of 0.72). This optimized structure ensures efficient electromagnetic wave absorption with minimal reflection, making it highly suitable for advanced EMI shielding applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107756"},"PeriodicalIF":6.3,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223540","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}
{"title":"Tailoring the Mo:V Ratio in MoO3/V2O5 nanocomposites for high-efficiency surface adsorption of methylene blue","authors":"Jaspreet Kaur, Rajesh Kumar","doi":"10.1016/j.surfin.2025.107754","DOIUrl":"10.1016/j.surfin.2025.107754","url":null,"abstract":"<div><div>In this study, synthesis of MoO<sub>3</sub>/V<sub>2</sub>O<sub>5</sub> nanocomposites (NCs) has been reported using a simple, time-efficient, and cost-effective wet chemical approach. Various MoO₃/V₂O₅ NCs (MV-30, MV-50, MV-70) have been prepared by controlling the Mo:V ratio. The synthesized nanocomposites were characterized using XRD, Raman spectroscopy, FESEM, EDS, HRTEM, zeta potential, BET-BJH, TGA, and FTIR analyses. XRD patterns confirmed a gradual increase in MoO₃ peak intensity with rising Mo content. The MV-50 NCs exhibited an enhanced specific surface area of 16.2 m²/g and an average pore size of 3.6 nm. The synthesized NC has been utilised for Methylene Blue (MB) dye adsorption. The MV-50 NCs show the best dye adsorption in comparison to other NCs, which is attributed to higher specific surface area and larger pore size. At an initial dye concentration of 20 mg/L, neutral pH, and ambient temperature, 99.9 % of the dye was adsorbed within 8 minutes. Kinetic studies revealed that MB adsorption followed the pseudo-second-order model, suggesting chemisorption. The equilibrium data aligned well with the Langmuir model, indicating monolayer adsorption with a maximum capacity of 737.6 mg/g. Thermodynamic parameters confirmed the process was spontaneous and endothermic, supported by negative Gibbs free energy (8 kJ/mol), an enthalpy (∆H°) of 6.58 kJ/mol, and increased randomness (∆S° = 47.3 J/mol·K) at the solid–liquid interface. Post-adsorption analyses, including TGA, FTIR, BET, EDS, and FESEM, demonstrated the structural stability of MV-50. Its reusability and consistent performance in industrial wastewater samples containing interfering ions highlight its potential for practical environmental remediation.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107754"},"PeriodicalIF":6.3,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223297","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}
Jing Shang , Yile Yang , Jun Mei , Yongping Pu , Fan Yang , Shaobin Zhang , Yijie Niu , Jun Wang , Peng Wang , Chun Li
{"title":"Strain-engineered atomic-scale lithium kinetics in 2D 1T-NiS₂ monolayers","authors":"Jing Shang , Yile Yang , Jun Mei , Yongping Pu , Fan Yang , Shaobin Zhang , Yijie Niu , Jun Wang , Peng Wang , Chun Li","doi":"10.1016/j.surfin.2025.107751","DOIUrl":"10.1016/j.surfin.2025.107751","url":null,"abstract":"<div><div>The recently discovered semiconducting T-phase nickel disulfide (NiS₂) monolayer has emerged as a promising electrode material candidate. However, optimizing its ionic diffusion kinetics by mechanical strains remains a critical challenge requiring further investigation. In this study, we systematically investigated the effects of large in-plane biaxial strains on Li-ion diffusion mechanisms in NiS₂ monolayers through first-principles calculations. By introducing in-plane biaxial strains, it demonstrated that both adsorption strength and diffusion dynamics of Li ion were simultaneously reshaped through coordinated charge transfer reconfiguration between Li ion and substrate and the detailed electronic structure analysis. This synergistically helps to strengthen the Li adsorption and lower ionic migration resistance. The proposed mechanism based on the present findings opens the mechanical avenues and provides fundamental insights for dynamic performance tuning in lithium battery technologies.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107751"},"PeriodicalIF":6.3,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223244","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}