Surfaces and Interfaces最新文献

{"title":"Acrylic acid modified indapamide-based polymer as an effective inhibitor against carbon steel corrosion in CO2-saturated NaCl with variable H2S levels: An electrochemical, weight loss and machine learning study","authors":"","doi":"10.1016/j.surfin.2024.105065","DOIUrl":"10.1016/j.surfin.2024.105065","url":null,"abstract":"<div><p>In this work, the performance of an acrylic acid-indapamide based polymer, poly(AAI), was investigated as a corrosion inhibitor in mitigating C1018 carbon steel in a 3.5 % NaCl solution saturated with CO₂ in the presence of different H₂S concentrations simulating an oilfield sweet and sour corrosive environment. The effectiveness of the inhibitor was evaluated using weight loss and electrochemical techniques supported by SEM, EDS, and AFM surface techniques. At a concentration of 80 ppm, the polymer showed an inhibition effect of over 94 %. The effect of H₂S concentration on the inhibitor's effectiveness was also investigated. The inhibitor was effective under all conditions tested. The adsorption of poly(AAI) was consistent with the Langmuir adsorption model and poly(AAI) acted mainly as a cathodic-type inhibitor. EIS, SEM/EDS, and AFM studies of the steel surface morphology showed that poly(AAI) forms a protective layer on the steel surface. The corrosive elements were successfully prevented from accessing the steel surface by the protective layer. Machine learning was also performed to predict the %IE of poly(AAI) using four distinct machine learning models: decision tree regression (DTR), artificial neural networks (ANN), linear regression (LR), and Gaussian process regressor (GPR). A 10 k-fold cross-validation in addition to the mean absolute error, mean squared error, root mean square error, mean absolute percentage error, and determination coefficient procedure was used to assess the models' performance accuracy. Overall, the LR performs the best in terms of performance hierarchy robustness, followed by GPR, ANN, and =DTR. Consequently, the LR model was found to be a more reliable choice for estimating the %IE of poly(AAI), providing potentially more accurate information about material performance in practical applications.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142173001","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":"Transition metal-modified Θ-graphene controls CO2 capture and separation under electric field modulation","authors":"","doi":"10.1016/j.surfin.2024.105058","DOIUrl":"10.1016/j.surfin.2024.105058","url":null,"abstract":"<div><p>The increasing concentration of CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> gas in the atmosphere causes great pressure to the environment, so it is urgent to find efficient CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> capture materials. In this study, the adsorption behavior of CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> on 3<span><math><mi>d</mi></math></span> transition metal (TM) modified <span><math><mi>Θ</mi></math></span>-graphene (TM-<span><math><mi>Θ</mi></math></span>) was studied by first-principles calculation, and the synergistic effect of electric field was considered. The adsorption performance of TM-<span><math><mi>Θ</mi></math></span> towards CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> is significantly enhanced. Ti-<span><math><mi>Θ</mi></math></span> (−1.63 eV) and V-<span><math><mi>Θ</mi></math></span> (−1.76 eV) are the most outstanding, and the adsorption energy is increased to about 10 times of the original <span><math><mi>Θ</mi></math></span>-graphene (−0.17 eV). In addition, the reversible adsorption of CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> on Ti-<span><math><mi>Θ</mi></math></span> is expected to be achieved by controlling the electric field. More importantly, Ti-<span><math><mi>Θ</mi></math></span> exhibits high selectivity in separating CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> from the gas mixtures (CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>) under the applied electric field. Ti-<span><math><mi>Θ</mi></math></span> has potential applications in recyclable CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> capture materials, and external electric field can facilitate the development of CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> capture, storage and separation technologies.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151566","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":"Effect of molecular structure of polyacrylonitrile fiber on the interfacial adhesion characteristics of modified asphalt","authors":"","doi":"10.1016/j.surfin.2024.105059","DOIUrl":"10.1016/j.surfin.2024.105059","url":null,"abstract":"<div><p>Polyacrylonitrile (PAN) fiber can significantly improve the road performance of asphalt mixtures. The adhesion properties between PAN and asphalt directly affect the structural strength, water stability, and fatigue resistance of asphalt mixtures. In this study, the unit cell model of PAN and asphalt was constructed based on molecular dynamics (MD) simulation, and the rationality of the model was verified. Then, various PAN/asphalt interface models were established. The effects of PAN molecular structure, asphalt composition, temperature, aging, water and salt erosion on the interfacial adhesion properties were studied. Finally, the reliability of the MD simulation results was verified through contact angle experiment. The results show that as the molecular mass of PAN and the content of the second monomer increase, the interfacial adhesion properties between PAN and asphalt improve. Specifically, the interfacial adhesion property between asphalt and PAN prepared with a ratio of 95 % acrylonitrile (AN) and 5 % methyl acrylate (MA) is the best. The interfacial adhesion properties between heavy components in asphalt and PAN are better than that of light components. Higher temperature leads to an increase in the interfacial energy of PAN/asphalt. The interfacial adhesion properties between aged asphalt and PAN are superior to those of unaged asphalt. The resistance of PAN/asphalt interface to salt erosion is inferior to its resistance to water damage. There is a significant linear relationship between the interface energy and the adhesion work. In this study, the effects of various factors on the adhesion properties of the PAN/asphalt interface were systematically analyzed, and the influence mechanism of the adhesion properties of the PAN/asphalt interface was revealed from the molecular scale. This article would be useful to demonstrate the utility of molecular dynamics simulations in investigating interfacial properties in composite materials and provide the atomistic understanding of the PAN/asphalt interfaces.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151520","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":"Yolk-shell nanomaterials for advanced oxidation processes","authors":"","doi":"10.1016/j.surfin.2024.105061","DOIUrl":"10.1016/j.surfin.2024.105061","url":null,"abstract":"<div><p>Advanced oxidation processes (AOPs) are generally regarded as promising effective decontamination technologies for nonbiodegradable, hazardous or refractory pollutants. The reactive species of AOPs suffer from ultrafast self-quenching in the bulk aqueous phase because of their extremely short lifetime and consumption by coexisting substances in actual water matrices. Yolk-shell nanomaterials (YSNMs) with a typical core@void@shell architecture are widely used as AOP nanoreactors to host chemical reactions and alter chemical reactivity via confinement effects. All components of YSNMs, including voids, shells and cores, synergistically contribute to effective organic pollutant degradation with outstanding activity and selectivity. YSNMs have been widely used as activators of different peroxides, including hydrogen peroxide, peroxymonosulfate, persulfate and peroxymonocarbonate, due to their improved reactivity, selectivity, stability and easy recovery. YSNMs provide a robust platform for photochemical wastewater remediation, which can couple with surface plasmon resonance, band gap engineering, photon up-conversion, heterojunction and cocatalyst engineering. YSNM photocatalysts exhibit superior activity compared with their counterparts because of multiple virtues, such as efficient light harvesting, sufficient active sites, extended photo response, improved separation efficiency of carriers and prolonged lifetime of photogenerated carriers. The nanoelectrode with a YSNM structure can improve electrochemical degradation efficiency via combining the advantages of both nanosized building subunits and hollow architectures. The challenges and prospects of YSNMs for AOPs are also addressed to stimulate potential breakthroughs.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151578","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":"Interface engineering in ternary Cu4SnS4 nanocrystals decorated CNTs for boosting photocatalytic degradation performance","authors":"","doi":"10.1016/j.surfin.2024.105062","DOIUrl":"10.1016/j.surfin.2024.105062","url":null,"abstract":"<div><p>In order to solve the problems of carrier recombination and low catalytic performance of a single semiconductor photocatalytic material, a composite photocatalytic material of ternary semiconductor materials Cu₄SnS₄ (CTS) nanocrystals (NCs) and carbon nanotubes (CNTs) was synthesized. To investigate the effect of the interface on the catalytic performance, we treated CNTs with dopamine (Pdop) salts and further embedded CTS in them to form CTS-CNTs@Pdop composites. CTS-CNTs degraded 88.2 % of Sudan Red (III) after 2 h of illumination compared with 37.2 % of pure CTS and 68.2 % of CTS-CNTs@Pdop. The main reason for the enhanced photocatalytic performance is that the addition of CNTs enhances the carrier transport separation, while the presence of a dopamine interlayer with poor conductivity inhibits the transport and separation of carriers, which indicates the importance of interfacial contacts between the two active materials. Three models, Schottky junction, thin Metal-Insulator-Semiconductor (MIS) junction and thick MIS junction, were used to explain these results in detail.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151565","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":"Electrochemical mechanistic study of chlorpromazine oxidation in the presence of l-cysteine by digital simulation program: Introducing of EEC and EC'EC mechanisms","authors":"","doi":"10.1016/j.surfin.2024.105057","DOIUrl":"10.1016/j.surfin.2024.105057","url":null,"abstract":"<div><p>New electrochemical mechanisms of chlorpromazine (CPZ) as one of the derivatives of phenothiazine and chlorpromazine in the presence of l-cysteine as an amino acid at 0.3 - 1.3 V on boron-doped diamond (BDD) electrode surface were studied using cyclic voltammetry (CV) technique for the first time. The results indicated that the electrochemical oxidation mechanism of chlorpromazine is EEC. Furthermore, the results of studying the electrochemical behavior of chlorpromazine in the presence of l-cysteine shows an electrocatalytic mechanism. According to these results, this system is implicated in the EC'EC mechanism. For both mechanisms, we studied the impact of increasing the concentration and rate of potential scanning. Digital simulation (Digital Simulation3 program) analyses were conducted using these mechanisms for cyclic voltammograms obtained on the boron-doped diamond electrode surface. Kinetic data were extracted from these voltammograms through digital simulations to estimate the heterogeneous rate constant (<em>ks</em>), equilibrium constant (Keq), charge-transfer coefficient (α), chemical rate constant (k_c) and diffusion coefficient (D) by comparing the experimental responses with the simulated results.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142172599","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":"Enhanced electrical properties of pulsed Sn-doped (-201) β-Ga2O3 thin films via MOCVD homoepitaxy","authors":"","doi":"10.1016/j.surfin.2024.105056","DOIUrl":"10.1016/j.surfin.2024.105056","url":null,"abstract":"<div><p>Pulsed Sn doping (PSD) homoepitaxial gallium oxide (Ga₂O₃) films were deposited on (-201) β-Ga₂O₃ substrates using metal-organic chemical vapor deposition (MOCVD). The study aims to optimize Sn doping conditions to enhance the electrical properties of β-Ga₂O₃ films. The influence of Sn pulse width (ranging from 0.1 min to 0.3 min) on the morphology, structure, and electrical properties of the film was investigated. The Full Width at Half Maximum (FWHM) of the (-201) crystal plane rocking curve for all doped films is &lt;50 arcsec, indicating high crystal quality. At a Sn pulse width of 0.2 min, we achieve the optimal balance between doping efficiency and crystal quality, resulting in a resistivity of 0.0487 Ω·cm, an electron mobility of 63.5 cm²/V·s, and a carrier concentration of 1.82 × 10¹⁸ cm^-3. Compared to continuous Sn doping, PSD results in approximately 157 % increase in carrier concentration and 99 % increase in electron mobility. The application of PSD allows sufficient diffusion time for Sn atoms to effectively incorporate into the film, signifying a crucial advancement in enhancing the film's electrical properties and reducing the cost of the metal organic doping source.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151521","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":"Investigation of acid exposure duration on migration behavior of sodium borosilicate glass-ceramic coatings","authors":"","doi":"10.1016/j.surfin.2024.105060","DOIUrl":"10.1016/j.surfin.2024.105060","url":null,"abstract":"<div><p>This study investigates the migration behavior of Na₂O-B₂O₃-SiO₂ glass-ceramic coatings under different exposure durations. Sinter-crystallization at 830 °C for 4.5 min transforms the glass into a crystalline phase. Coatings were immersed in 3% acetic acid solutions for durations ranging from 15 to 960 min. Chemical migration was measured using ICP-MS analysis, while SEM and surface profilometry assessed surface morphology and roughness. Coatings remained compliant with ISO 4531:2022 food-contact standard, even after 960 min. Dissolution of alkaline network modifiers initially increased roughness, which then returned to the initial value. This research provides insights into the stability and applicability of glass-ceramic coatings for long-term use in food-contact surfaces, contributing to the field of surface coatings and food safety.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142243023","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":"Preparation of Zn-based MOFs photoluminescent coatings on cotton fabrics and their application in anti-counterfeiting","authors":"","doi":"10.1016/j.surfin.2024.105054","DOIUrl":"10.1016/j.surfin.2024.105054","url":null,"abstract":"<div><p>In this paper, a series of new photoluminescent coatings on cotton fabrics were prepared by integrating Zn-based MOFs (ZnBDC), and ZnBDC was encapsulated with luminescent guests (Eu³⁺ and crystal violet (CV)). The results showed that a large amount of ZnBDC nanomaterials could effectively grow on cotton fabric, and the encapsulation of luminescent guests did not damage their structural integrity and morphology. The emission spectra of different encapsulated samples exhibited different fluorescence under excitation at 321 nm. Notably, different from the single Eu³⁺ emission observed in single Eu³⁺-encapsulated ZnBDC cotton fabric, the emission intensity of Eu³⁺ in dual (Eu³⁺ and CV) encapsulated sample changed significantly at different bands, and it dominated by an unusual ⁵D₀ → ⁷F₄ transition (693 nm). The transformation of a specific symmetric site of Eu³⁺ is responsible for this unusual emission. Moreover, the fluorescence color of encapsulated samples could be coded by regulating the concentration of encapsulated CV according to the special features of Eu³⁺ photoluminescence. Therefore, photoluminescent cotton fabrics have a potential application in the anti-counterfeiting of textiles.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142151563","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":"Observation of tapered multicore fibers based on Nb2CTx for humidity sensing: Experiment and DFT simulation investigations","authors":"","doi":"10.1016/j.surfin.2024.105042","DOIUrl":"10.1016/j.surfin.2024.105042","url":null,"abstract":"<div><p>Recent advancements in the area of human healthcare monitoring and medical diagnosis have sparked a revived interest in humidity sensors. Nb₂CT_x, characterized by its multilayered structure, large specific surface area, and plentiful hydrophilic groups, actively absorbs a sufficient quantity of water molecules. In this work, the sensing capability and mechanism of water molecules are investigated under different proportions of functional group distribution on the surface of Nb₂CT_x MXene employing plane-wave based density functional theory calculations, and the provided models can offer guiding principles for the experimental preparation of the highly sensitive humidity sensor based on Nb₂CT_x. To verify the effectiveness of the model, Nb₂CT_x material is coated on a Tapered Three-Core Fiber (TTCF), and the high evanescent field characteristics of the sensor are utilized to further improve its performance. As the relative humidity (RH) increased from 35 % to 75 %, the transmitted spectra exhibited a redshift with a sensitivity of 22pm/% RH. Within the relative humidity range of 75 % to 95 %, the Nb₂CT_x coating heightened water molecule absorption, resulting in a more pronounced redshift in the transmitted spectra. This phase manifests a maximum humidity sensitivity of 299pm/% RH. Noteworthy advantages of this sensor include its uncomplicated structure, cost-effectiveness, and robust stability, rendering it highly suitable a wide variety of potential applications in fields such as biology, chemical and health processing.</p></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142158210","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}