{"title":"Directional oil extraction: A new application of MXene as an oil development agent in petroleum exploration and production","authors":"Lu Wang, Maozhang Tian, Wenfeng Song, Xinmin Song, Qun Zhang, Hao Shen, Yanyao Shi, Jun Zhang, Jingjie Hou, Saijie Song, Lutao Yang, Weifeng Lv","doi":"10.1016/j.apsusc.2024.162119","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162119","url":null,"abstract":"Problems occurring in oilfields after secondary oil recovery can include low oil content, difficulty in tracing, and high production costs. The use of two-dimensional nanomaterials can improve the efficiency of oil exploration and extraction. In this study, we designed a new nanofluid based on lecithin-modified MXene (lecithin@MXene-COOH) for directional oil extraction and tertiary oil recovery. MXene has good interfacial affinity, and 0.02 % lecithin@MXene-COOH can be effectively enriched at the oil–water interface. The nanofluid based on lecithin@MXene-COOH has excellent emulsifying properties, and we found that the optimal formulation has an emulsifying volume of 12.8 mL. The efficient enrichment of lecithin@MXene-COOH at the oil–water interface means that it can effectively define the position of oil droplets. The lecithin@MXene-COOH nanofluid has excellent oil displacement effect, and can efficiently drive oil, with an improvement of recovery efficiency of up to 15.95 % after the traditional flooding stage. This research has developed a new application of MXene-based nanomaterials, and the lecithin@MXene-COOH nanofluid is predicted to have a successful future in the field of oilfield tracing and extraction.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"12 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840811","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}
Nasrollah Naseri Joda, Miroslava Filip Edelmannová, David Pavliňák, Vinicius T. Santana, Pavan Kumar Chennam, Martina Rihova, Kamila Kočí, Jan M. Macak
{"title":"Centrifugally spun hematite Fe2O3 hollow fibers: Efficient photocatalyst for H2 generation and CO2 reduction","authors":"Nasrollah Naseri Joda, Miroslava Filip Edelmannová, David Pavliňák, Vinicius T. Santana, Pavan Kumar Chennam, Martina Rihova, Kamila Kočí, Jan M. Macak","doi":"10.1016/j.apsusc.2024.162132","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162132","url":null,"abstract":"Mesoporous hollow hematite Fe<sub>2</sub>O<sub>3</sub> fibers were successfully synthesized through centrifugal spinning and applied in photocatalytic H<sub>2</sub> production and CO<sub>2</sub> reduction. Fabrication of hollow hematite fibers includes two innovative synthetic steps, i) centrifugal spinning of precursor fibers using polyvinylpyrrolidone (PVP) as a polymeric part and two different Fe precursors (iron nitrate and iron chloride), ii) annealing of these fibers with different temperatures profiles (250 °C and 600 °C) with optimized heating rates and durations. The prepared samples (FN250, FN600, FC250, and FC600) were thoroughly characterized using SEM, XRD, XPS, and Raman spectroscopy, and the obtained results were correlated with the photocatalytic performance during H<sub>2</sub> production and CO<sub>2</sub> reduction. The FC250 and FC600 samples, which showed a higher concentration of oxygen defects, exhibited superior photocatalytic efficiency compared to the Fe<sub>2</sub>O<sub>3</sub> standard. The enhanced performance is attributed to the increased light absorption, improved charge separation, and surface reactivity due to oxygen-related defects. These results highlight the potential of non-stoichiometric Fe<sub>2</sub>O<sub>3</sub> nanofibers for environmental remediation and energy conversion applications.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"90 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840815","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":"Molecular modeling of hydrogen adsorption and mobility in transition metal-functionalized polycrystalline CNTs using an energy-centered approach","authors":"Saurabh Mishra, Fan Yang, S.I. Kundalwal","doi":"10.1016/j.apsusc.2024.162121","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162121","url":null,"abstract":"Despite notable progress in synthesizing large-sized carbon nanotubes (CNTs), persisting challenges arise from their inherent polycrystallinity and tendency to agglomerate. The investigation focuses on the interactions of molecular hydrogen with polycrystalline CNTs (PCNTs) functionalized with various concentrations of transition metals (Fe, Ni, and Ti) through molecular dynamics simulations (MDS).<!-- --> <!-- -->A novel potential energy distribution (PED) technique, integrated with grand canonical Monte Carlo (GCMC) simulations, was employed to identify and calculate the adsorbed hydrogen. Comparative analysis revealed that Ti-functionalized PCNTs (Ti-PCNTs) exhibited superior hydrogen adsorption capacity, characterized by deep local minima in PED with broad distribution, outperforming Fe and Ni-PCNTs. At 100 bar, 10 at% Ti-PCNT exhibits the highest hydrogen storage capacity, with a maximum of 7.14 wt% at 200 K and 5.2 wt% at 300 K. In comparison, 10 at% Ni-PCNT and Fe-PCNT attain maximum gravimetric densities of 3.31 wt% (1.75 wt%) and 3.19 wt% (1.7 wt%) at 200 K (300 K), respectively. Notably, bundled Ti-PCNTs (intertube spacing: 10 Å) achieved a substantial hydrogen gravimetric density of 6.6 wt% at 300 K and 100 bar, exceeding the US Department of Energy’s targets. Subsequently, the average adsorption energies were calculated as 0.115 eV/H<sub>2</sub> and 0.110 eV/H<sub>2</sub> for isolated and bundled Ti-PCNTs at 200 K, increasing to 0.128 eV/H<sub>2</sub> and 0.123 eV/H<sub>2</sub> at 300 K, indicating stable and stronger adsorption states relative to undoped PCNTs. Furthermore, functionalization reduced hydrogen mobility, as Ti-PCNTs exhibited lower diffusion coefficients compared to Ni and Fe-PCNTs. Specifically, the diffusion coefficients for a 10 at% Ti-PCNT bundle were calculated as 9.47 × 10<sup>-8</sup> m<sup>2</sup>/s and 1.85 × 10<sup>-7</sup> m<sup>2</sup>/s at 200 K and 300 K, respectively. Ultimately, the integrated PED-MDS approach demonstrated robustness in evaluating adsorption metrics, endorsing Ti-PCNT as a promising candidate for efficient hydrogen storage. The proposed computational framework will facilitate the development and optimization of novel materials that could further improve hydrogen storage performance.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"49 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840818","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}
Jakub Szewczyk, Tim Tjardts, Fabian Symalla, Igor Iatsunskyi, Franz Faupel, Cenk Aktas, Emerson Coy, Salih Veziroglu
{"title":"Boric acid modified polydopamine and nanocolumnar hydrogenated TiO2 nanocomposite with improved photocatalytic performance","authors":"Jakub Szewczyk, Tim Tjardts, Fabian Symalla, Igor Iatsunskyi, Franz Faupel, Cenk Aktas, Emerson Coy, Salih Veziroglu","doi":"10.1016/j.apsusc.2024.162118","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162118","url":null,"abstract":"Hydrogenation has been established as one of the most common approaches to increase the photocatalytic efficiency of TiO<sub>2</sub> nanomaterials. Nanocolumnar hydrogenated TiO<sub>2</sub> (H:TiO<sub>2</sub>), obtained through a combination of DC reactive magnetron sputtering and hydrogenation treatments, could serve as an efficient photocatalyst, provided that its chemical stability and the lifetime of its photogenerated charge carriers are improved. One possible strategy to achieve this is the large-scale deposition of the nanometrically thin free-standing polydopamine film from the air/water interface. This exciting approach is feasible due to the superior mechanical stability of the boric acid-modified polydopamine (BAPDA) thin films. The gradual preparation protocol successfully produced the BAPDA/H:TiO<sub>2</sub> nanocomposites, as revealed by X-ray diffractometry, Raman spectroscopy, atomic force microscopy and X-ray photoelectron spectroscopy. Next, comparing bare H:TiO<sub>2</sub> and BAPDA/H:TiO<sub>2</sub>, 0.15 eV bandgap redshift was observed through UV–vis spectroscopy. Additionally, photoelectrochemical tests provided auspicious results for photocatalytic oxidation by an increase in photocurrent density in the anodic regime and more negative polarization of the BAPDA/H:TiO<sub>2</sub> photoelectrode. Analysis of the open circuit photopotential decay curve indicated a rise in photogenerated electron lifetime. Finally, photocatalytic Methylene Blue degradation tests demonstrated a higher photocatalytic efficiency for the nanocomposite resulting from the boric acid-modified polydopamine deposition.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"3 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840846","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":"Synergistic effect of hierarchical pores and self-doped heteroatoms of biochar in rapid and efficient adsorption of PPCPs residues","authors":"Qiong Chen, Jiaming Kang, Youliang Ma, Zhongmin Feng, Jiali Li, Hongtao Fan, Yun Wang, Ting Sun","doi":"10.1016/j.apsusc.2024.162126","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162126","url":null,"abstract":"Pore structure and surface activities synergistically enhanced the adsorption performance of self-doped heteroatoms biochar for PPCPs (Pharmaceuticals and Personal Care Products). This biochar was prepared by two-step pyrolysis (TSP) using UPs (<em>Ulmus pumila</em> L. samara) with cavity structure, nitrogen and sulfur atoms, and higher cellulose and hemicellulose. UPBC-2 was prepared using the optimal dose of activator with a specific surface area of 2401 m<sup>2</sup>g<sup>−1</sup> and a pore volume of 1.984 cm<sup>3</sup>g<sup>−1</sup>. Micropores in the hierarchical porous played a decisive role in the adsorption capacity of UPBC-2. Nitrogen (1.67 at. %) and sulfur (0.35 at. %) atoms were rapid adsorption sites for PPCPs, which were rapidly diffused into the interior of UPBC-2 through the hierarchical pores. The synergistic effect of pore structure and surface activity resulted in short equilibrium time (5, 7, and 5 min) and high saturation capacity (655.6, 754.0, and 601.7 mg/g) of CBZ, CQ, and DCF by UPBC-2. The adsorption capacity of UPBC-2 on PPCPs was almost independent of pH, ionic strength, coexisting ions, and adsorption–desorption cycles, but was influenced by molecular sizes and hydrophilicity of PPCPs. The dominant interaction in the adsorption process was the rapid π-electron sharing between PPCPs and graphitic N / thiophenic S.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"35 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840847","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}
Fan Wu, Dandan Wu, Qi Zuo, Jing Cao, Ning Kong, Kang Feng, Jianan Li, Shaojun Bai
{"title":"Study on the mechanism of ammonium carbamate in promoting the separation of chalcopyrite and arsenopyrite in oxidation systems","authors":"Fan Wu, Dandan Wu, Qi Zuo, Jing Cao, Ning Kong, Kang Feng, Jianan Li, Shaojun Bai","doi":"10.1016/j.apsusc.2024.162127","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162127","url":null,"abstract":"Arsenopyrite frequently occurs alongside chalcopyrite and is characterized by its high arsenic content. The similar surface properties of arsenopyrite and chalcopyrite pose significant challenges to their separation via flotation. This study investigated the inhibitory effect of sodium hypochlorite (NaClO) on arsenopyrite and the activation mechanism of ammonium carbamate on chalcopyrite through a series of single-mineral and artificial mixed-mineral flotation experiments. Techniques employed include atomic force microscopy (AFM), scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), Zeta potential analysis, and adsorption experiments. The results from flotation indicated that NaClO oxidation significantly suppressed the arsenopyrite recovery to as low as 7.80%, while chalcopyrite recovery was reduced to 54.02%. Upon the addition of ammonium carbamate, the flotation recovery of chalcopyrite increased to 81.71%, while the recovery of arsenopyrite remained largely unaffected. Further analysis with AFM, SEM, EDS, Zeta potential, adsorption tests, and XPS revealed that NaClO facilitated the formation of a hydrophilic film on the surface of arsenopyrite, reducing the adsorption of the trap on the minerals, and suppressing the hydrophobicity of arsenopyrite. Conversely, ammonium carbamate did not activate arsenopyrite but enhanced the adsorption of butyl xanthate on chalcopyrite. The results indicated that the combination of NaClO and ammonium carbamate presents an effective method for the selective separation of arsenopyrite and chalcopyrite.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"52 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840820","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}
Liu Xiao, Zhiying Liu, Gang Zhang, liangyi Liu, Wenlin Feng
{"title":"Synthesis of thermally stable Cu3SbS4 thin films with high charge density: Doping of Sb atoms in hexagonal Cu9S5 close-packed planes","authors":"Liu Xiao, Zhiying Liu, Gang Zhang, liangyi Liu, Wenlin Feng","doi":"10.1016/j.apsusc.2024.162123","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162123","url":null,"abstract":"Cu<sub>3</sub>SbS<sub>4</sub> is commonly used as a hole transport layer in heterojunction devices due to its high valence vacancy, which provides a large number of carriers. The preparation of Cu<sub>3</sub>SbS<sub>4</sub> by large-scale dry chemistry is often accompanied by the generation of other copper antimony sulfide ternary phases during the heating process. By exploiting phase transitions in the crystal structure, the synthesis of nanophases can be controlled to improve the properties of the material. Different choices of the main material structure can trigger the evolution of the internal structure of the product material. In the experiment, the fusion of antimony atoms with host Cu<sub>9</sub>S<sub>5</sub> crystals will preferentially produce thermally stable Cu<sub>3</sub>SbS<sub>4</sub>. The stepwise synthesis of Cu<sub>3</sub>SbS<sub>4</sub> films from Sb-Cu<sub>9</sub>S<sub>5</sub> stacked films was discovered. The influence of reaction temperatures on crystal structure, surface morphology, chemical composition of the films was investigated, and the optical and electrical properties of the films were analyzed during the alloying process. The pure Cu<sub>3</sub>SbS<sub>4</sub> was obtained by heating and melting Cu<sub>9</sub>S<sub>5</sub> and Sb in a sulphur vapor environment. The Cu<sub>3</sub>SbS<sub>4</sub> films obtained at 450 °C have a forbidden bandwidth of 0.89 eV and a charge density of 1.39 × 10<sup>20</sup> cm<sup>−3</sup>. These findings provide an explanation for the phase transition and morphological changes during the synthesis of copper antimony sulphide and offer a new thinking strategy for the alloying of synthetic ternary copper-based sulphides.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"258 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840814","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}
Yang Zhang, Haoran Wu, Zixiu Li, Shaoxiong Qin, Hualin Ding, Jun Cao, Jiaqi Pan, Chaorong Li, Jingjing Wang
{"title":"Boosting photocatalytic and SERS performance of n%M−ZnO/CeO2/Ag 3D porous microspheres through a dual modification strategy with interface and doping engineering","authors":"Yang Zhang, Haoran Wu, Zixiu Li, Shaoxiong Qin, Hualin Ding, Jun Cao, Jiaqi Pan, Chaorong Li, Jingjing Wang","doi":"10.1016/j.apsusc.2024.162135","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162135","url":null,"abstract":"The application of surface-enhanced Raman scattering (SERS) spectroscopy is widespread in the fields of material science, surface and analytical chemistry due to its distinctive fingerprint effect, rapid detection capabilities, and exceptional trace sensitivity. Among these attributes, the utmost significance lies in the utilization of high-quality SERS substrates. A bifunctional platform featuring high photocatalytic activity and superior SERS activity was developed via a dual modification strategy integrating interface and doping engineering. Utilizing one-step hydrothermal method, ZnO/CeO<sub>2</sub> 3D porous microspheres (PMSs) with varied doping concentrations were fabricated, followed by the photodeposition of Ag nanoparticles to obtain n%M−ZnO/CeO<sub>2</sub>/Ag PMSs (M = Ga or Mg) with enhanced catalytic degradation efficiency and SERS activity. The pronounced enhancement is primarily ascribed to the synergistic effects of the surface plasmon resonance (SPR) of Ag nanoparticles, interfacial charge transfer between ZnO, CeO<sub>2</sub> and Ag, and the augmented chemical interactions mediated by defects induced through doping. The optimized 6.25 %M−ZnO/CeO<sub>2</sub>/Ag PMSs exhibited remarkable catalytic performance, decomposing rhodamine 6G (R6G) within 8 min and crystal violet (CV) within 6 min, manifesting a potent degradation activity towards organic dye molecules. Notably, the degradation efficiency remained basically unchanged following three consecutive cycles of reuse. As SERS-active substrate, the detection limit for R6G was achieved at 10<sup>−11</sup> M, demonstrating a fine linear relationship (R<sup>2</sup> > 0.99) within a concentration range from 10<sup>−6</sup> M to 10<sup>−11</sup> M. Even after three months of exposure to ambient air, the SERS activity was essentially unaffected, with a retention of 89 %. The detection threshold for the pesticide thiram was found to be as low as 10<sup>−9</sup> M, which is significantly below the national standard. This novel bifunctional catalytic and SERS detection platform, refined through a combination of interfacial and doping modifications, holds great potential for significant applications in environmental monitoring and food safety.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"30 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840816","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}
Mohamed Lahouij, Nassima Jaghar, Matej Drobnič, Youssef Samih, Aljaž Drnovšek, Janez Kovač, Miha Čekada, Mohammed Makha, Jones Alami
{"title":"Influence of carbon incorporation on the microstructure, morphology, hardness, Young modulus and corrosion resistance of TiAlCN coatings deposited via reactive-HiPIMS","authors":"Mohamed Lahouij, Nassima Jaghar, Matej Drobnič, Youssef Samih, Aljaž Drnovšek, Janez Kovač, Miha Čekada, Mohammed Makha, Jones Alami","doi":"10.1016/j.apsusc.2024.162115","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162115","url":null,"abstract":"TiAlCN coatings, designed as advanced alternatives to TiAlN for enhanced tribological performance, were deposited via reactive high-power impulse magnetron sputtering (HiPIMS) with acetylene flow rates varying between 0 and 10 sccm. The carbon content, ranging from 1 at.% to 58 at.%, significantly influenced the microstructure, hardness and Young modulus properties of the coatings. At lower carbon concentrations (up to 17 at.%), carbon atoms substituted nitrogen in the TiAlN lattice. However, higher levels of carbon led to the formation of TiAl(CN) nanocrystals and amorphous carbon phases. These structural changes resulted in a shift in the coating’s growth orientation from (1<!-- --> <!-- -->1<!-- --> <!-- -->1) to (200) and the presence of amorphous carbon at grain boundaries, which contributed to a steady decline in hardness and Young’s modulus. Additionally, the increased carbon content reduced the coatings’ corrosion resistance. These findings highlight the complex interplay between carbon content, microstructure, and performance, providing insights for optimizing TiAlCN coatings.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"30 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142832132","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 Cr and Al contents on the corrosion resistance of FeCrAl coatings on Zry-4 under simulated pressurized water reactor conditions","authors":"Xiaohan Deng, Haiyan Liao, Weijiu Huang, Haibo Ruan, Yuan Niu, Kangkai Yan, Pengzhou Zhu, Xiangkong Xu, Yongyao Su","doi":"10.1016/j.apsusc.2024.162113","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.162113","url":null,"abstract":"This study explores the impact of Cr (13 wt%, 23 wt%) and Al (3 wt%, 5 wt%, 7 wt%) content on the corrosion resistance of FeCrAl coatings deposited on Zry-4 substrates via magnetron sputtering, under simulated pressurized water reactor (PWR) conditions (360 °C, 18.6 MPa). The findings reveal that increasing Cr and Al content enhances the density and mechanical strength of the coatings, with Cr playing a more dominant role in corrosion resistance. Coatings with 23 wt% Cr exhibited significantly better corrosion resistance than those with 13 wt% Cr, primarily due to reduced Fe<sub>2</sub>O<sub>3</sub> formation and the development of a denser FeFe<sub>2-x-y</sub>Cr<sub>x</sub>Al<sub>y</sub>O<sub>4</sub> spinel layer, which effectively blocks the outward diffusion of Fe and the penetration of corrosive medium. The first principles simulation of H<sub>2</sub>O adsorption on FeCrAl surface further verified the excellent stability and corrosion resistance of chrome-rich coating in aqueous environment. This study underscores the critical importance of Cr in optimizing FeCrAl coatings for PWR conditions, offering valuable insights for their application in nuclear systems.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"85 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142832141","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}