Applied Surface Science最新文献

{"title":"Functionalized graphene sensors for detecting coffee-related compounds","authors":"Gabriel L. Carvalho, João V.B. Del Piero, Flávia C. Assis Silva, Rodrigo G. Amorim, Jair C.C. Freitas, Wanderlã L. Scopel","doi":"10.1016/j.apsusc.2025.163739","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163739","url":null,"abstract":"Coffee is a globally consumed beverage that needs high quality and production standards. Consequently, concerns regarding its quality are widespread, making the identification of its chemical components and of potential substances resulting from the cultivation process highly desirable. In this work, theoretical calculations based on the density functional theory combined with non-equilibrium Green’s function were employed to assess the potential of graphene-based devices for molecular detection and sensing. The quantum calculations were used to investigate the interaction between graphene-based systems (including pristine graphene and oxygen-containing graphene sheets) and individual molecules such as caffeine, trigonelline, and glyphosate. The binding energy analysis revealed that epoxy- and hydroxyl-functionalized graphene sheets exhibit a stronger interaction with the target molecules in comparison with pristine graphene. The transmission curve obtained for each molecule allowed the identification of individual molecules on the devices based on conductance changes. Since reduced graphene oxide (rGO) is known to contain a distribution of oxygen functional groups (such as epoxy and hydroxyl groups) surrounded by large regions of interconnected hexagonal rings of sp<span><span style=\"\"><math><msup is=\"true\"><mrow is=\"true\"></mrow><mrow is=\"true\"><mn is=\"true\">2</mn></mrow></msup></math></span><span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"></span><script type=\"math/mml\"><math><msup is=\"true\"><mrow is=\"true\"></mrow><mrow is=\"true\"><mn is=\"true\">2</mn></mrow></msup></math></script></span>-hybridized carbon atoms, the obtained results indicate then that different types of target molecules can be detected using an rGO-based device. This underscores the capability of carbon-based materials to exhibit remarkable sensitivity and selectivity in the detection of organic molecules, which are of special interest for molecular sensing applications in general and for the coffee production sector in particular.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"626 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319428","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":"Suface AlCu alloying on sintered NdFeB magnets for enhancing the intrinsic corrosion resistance","authors":"","doi":"10.1016/j.apsusc.2025.163864","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163864","url":null,"abstract":"Aiming at the problem of poor corrosion resistance of NdFeB magnets, surface AlCu alloying on sintered NdFeB magnets was conducted by combining sputte…","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"1 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319429","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":"HOP-graphene: A high-capacity anode for Li/Na-ion batteries unveiled by first-principles calculations","authors":"Nicolas F. Martins, José A.S. Laranjeira, Kleuton A.L. Lima, Luis A. Cabral, L.A. Ribeiro, Julio R. Sambrano","doi":"10.1016/j.apsusc.2025.163737","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163737","url":null,"abstract":"The growing demand for efficient energy storage has driven the search for advanced anode materials for lithium- and sodium-ion batteries (LIBs and SIBs). In this context, we report the application of HOP-graphene (a 5-6-8-membered 2D carbon framework) as a high-performance anode material for LIBs and SIBs using density functional theory simulations. Diffusion studies reveal low energy barriers of 0.70 eV for Li and 0.39 eV for Na, indicating superior mobility at room temperature compared to other carbon allotropes, like graphite. Full lithiation and sodiation accommodate 24 Li and 22 Na atoms, respectively, delivering outstanding theoretical capacities of 1338 mAh/g (Li) and 1227 mAh/g (Na). Bader charge analysis and charge density difference maps confirm substantial electron transfer from the alkali metals to the substrate. Average open-circuit voltages of 0.42 V (Li) and 0.33 V (Na) suggest favorable electrochemical performance. HOP-graphene also demonstrates excellent mechanical strength. These findings position HOP-graphene as a promising candidate for next-generation LIB and SIB anodes.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"234 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319435","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":"CuCo2O4 nanosheet array as a multi-functional three-dimensional current-collector for high-performance lithium-sulfur batteries","authors":"Minghui Xue, Xiaohui Tian, Yunnian Cheng, Xuan Liu, Guangyu Li, Naomie Beolle Songwe Selabi, Yingke Zhou, Shichao Zhang","doi":"10.1016/j.apsusc.2025.163859","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163859","url":null,"abstract":"Lithium-sulfur battery (LSB) is regarded as prospective secondary battery because of high specific capacity/energy density. However, the capacity attenuation resulted from slow reaction kinetics and severe “shuttle effect” during the cycle process seriously hinder its practical application. Herein, a carbon cloth supported CuCo₂O₄ nanosheet array (CCO@CC) was designed as a novel three-dimensional current-collector, adsorbent and electrocatalyst to restrain “shuttle effect” of lithium polysulfides (LiPSs). The combination of nanosheet array and bimetallic oxide increases the adsorption/catalytic sites of CCO@CC for lithium polysulfides and promotes ion/electron transfer, thus effectively accelerating redox reaction kinetic and inhibiting “shuttle effect” of LiPSs. The CCO@CC/AB@S-based cell exhibits high specific discharge capacities of 1296 mAh g⁻¹ (0.1C) and 567 mAh g⁻¹ (3C), and low decay per cycle of 0.037 % for 1500 cycles (1C). Even with high-sulfur loading of 5.4 mg cm⁻², the CCO@CC/AB@S-based cell still achieves high areal capacity of 5.47 mAh cm⁻² at 0.1C and a capacity retention rate of 81.5 % after 100 cycles at 0.5C, which provides a convenient and effective material design strategy for high-performance LSB.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"36 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319436","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":"CuCoO2/CuMO2 (M = B, Al, Ga, In) delafossite isomorphous heterostructures for photocatalytic overall water splitting: Design strategy from DFT study","authors":"Chen-Guang Tao, Jian Yang, Xianglin Xiang, Zong-Yan Zhao","doi":"10.1016/j.apsusc.2025.163860","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163860","url":null,"abstract":"Delafossite CuCoO₂, with its half-metal electronic configuration, shows remarkable photocatalytic O₂ evolution activity. While the heterostructure approach enhances H₂ evolution and promotes water splitting, conventional non-isomorphic heterostructures often face interface stress, distortions, and defects, which destabilize interfaces and hinder optimal band alignment. Herein, a systematic Density Functional Theory (DFT) calculation investigation was conducted on CuCoO₂/CuMO₂ (M = B, Al, Ga, In) delafossite isomorphous heterostructures, focusing on the effects of varying M−site. CuCoO₂/CuBO₂ and CuCoO₂/CuInO₂ exhibit stronger interfacial chemical bonding, and the obvious atomic relaxation at the interface of the CuCoO₂/CuBO₂ model accounts for its most negative interfacial binding energy. The density of states demonstrates superior carrier transport efficiency in CuCoO₂/CuInO₂. Meanwhile, the spin polarization phenomenon mainly occurs on the CuCoO₂ side, while the CuMO₂ side remains nearly spin-degenerate. Quantitative analysis of interfacial electric fields elucidates the photocatalytic enhancement mechanisms, with CuCoO₂/CuBO₂ and CuCoO₂/CuAlO₂ forming traditional type-II heterojunctions, while CuCoO₂/CuGaO₂ and CuCoO₂/CuInO₂ exhibit direct Z-scheme charge transfer mechanisms. Notably, M = Al/Ga/In configurations display favorable overpotentials for overall water splitting. Furthermore, optical characterization demonstrates broadened visible/infrared light absorption in isomorphous heterostructures. This study offers theoretical guidance for future experiments and provides principles for designing efficient photocatalysts for water splitting.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"28 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144311742","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":"Nonwoven fabrics with camouflage and antibacterial properties","authors":"Bartosz Kopyciński, Ewa Langer, Dorota Kowalczyk, Anna Baranowska-Korczyc, Mariola Bodzek-Kochel, Małgorzata Cieślak","doi":"10.1016/j.apsusc.2025.163856","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163856","url":null,"abstract":"Recurring epidemics underscore the need for the development of new military material with masking and antibacterial properties. To develop lightweight camouflage coverings with antibacterial functionality, we designed composites based on two different spunlace nonwoven structures made of hydrophobic polyester fibers and their blends with hydrophilic cellulose fibers. Both nonwoven fabrics were coated with developed green (Gr), brown (Br) and black (Bl) waterborne paints. The re-emission coefficient (R) values for the camouflage coatings are between the upper and lower R limits specified in the defense standard NO-80-A200:2021. Antibacterial functionality was achieved by enriching the camouflage paint formulas with the addition of 2.5 wt% AgNPs@SiO₂ modifier. The values of antibacterial activity (A) vary depending on the type of nonwoven fabric, paint color and bacteria. For modified polyester nonwoven fabric, the A values for color Gr, Br and Bl are 4.02, 2.87 and 4.18 (<em>Staphylococcus aureus</em>) and 6.88, 4.46 and 6.89 (<em>Klebsiella</em> pneumoniae), respectively, and for cellulose/polyester nonwoven fabric, they are 2.25, 2.21 and 5.43 and 6.91, 4.90 and 6.93, respectively. The surface of the coatings is hydrophobic with a water contact angle of 104.5 to 118.5°. These materials serve multiple technical applications that require camouflage and protection against microorganisms.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"1 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144311739","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":"Revealing the nature of surface charging during X-ray photoelectron spectroscopy analysis of thin film insulators with metal capping layers","authors":"Grzegorz Greczynski","doi":"10.1016/j.apsusc.2025.163853","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163853","url":null,"abstract":"X-ray photoelectron spectroscopy (XPS) analysis of chemical bonding in electrically insulating samples is seriously complicated by sample charging. Recently, capping an insulator with a few nm thick metallic layer with low affinity to oxygen was shown to eliminate charging in several common insulators. Here, results of the follow-up study aiming at a better understanding of the mechanisms behind this effect are reported. SiO&lt;sub&gt;2&lt;/sub&gt; films, used as model insulators, are grown by magnetron sputtering with the thickness &lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span data-mathml='&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;msub is=\"true\"&gt;&lt;mi is=\"true\"&gt;d&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi mathvariant=\"italic\" is=\"true\"&gt;SiO&lt;/mi&gt;&lt;/mrow&gt;&lt;mn is=\"true\"&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;/msub&gt;&lt;/math&gt;' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"&gt;&lt;svg aria-hidden=\"true\" focusable=\"false\" height=\"2.548ex\" role=\"img\" style=\"vertical-align: -0.812ex;\" viewbox=\"0 -747.2 2159.5 1096.9\" width=\"5.016ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"&gt;&lt;g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"&gt;&lt;g is=\"true\"&gt;&lt;g is=\"true\"&gt;&lt;use xlink:href=\"#MJMATHI-64\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;g is=\"true\" transform=\"translate(520,-155)\"&gt;&lt;g is=\"true\"&gt;&lt;g is=\"true\"&gt;&lt;use transform=\"scale(0.707)\" xlink:href=\"#MJMATHI-53\"&gt;&lt;/use&gt;&lt;use transform=\"scale(0.707)\" x=\"613\" xlink:href=\"#MJMATHI-69\" y=\"0\"&gt;&lt;/use&gt;&lt;use transform=\"scale(0.707)\" x=\"959\" xlink:href=\"#MJMATHI-4F\" y=\"0\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;g is=\"true\" transform=\"translate(1217,-107)\"&gt;&lt;use transform=\"scale(0.5)\" xlink:href=\"#MJMAIN-32\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;span role=\"presentation\"&gt;&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;msub is=\"true\"&gt;&lt;mi is=\"true\"&gt;d&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\" mathvariant=\"italic\"&gt;SiO&lt;/mi&gt;&lt;/mrow&gt;&lt;mn is=\"true\"&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;msub is=\"true\"&gt;&lt;mi is=\"true\"&gt;d&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi mathvariant=\"italic\" is=\"true\"&gt;SiO&lt;/mi&gt;&lt;/mrow&gt;&lt;mn is=\"true\"&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/script&gt;&lt;/span&gt; in the range 30–3000 nm to study phenomena operating on different length scales. Metal caps, with different photoelectron yields (W and Al), are applied either as a global layer grounded on top with Cu clips or as dots with 1- or 5-mm diameter connecting to the ground only through the silica film. Charging elimination irrespective of &lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span data-mathml='&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;msub is=\"true\"&gt;&lt;mi is=\"true\"&gt;d&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi mathvariant=\"italic\" is=\"true\"&gt;SiO&lt;/mi&gt;&lt;/mrow&gt;&lt;mn is=\"true\"&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;/msub&gt;&lt;/math&gt;' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"&gt;&lt;svg aria-hidden=\"true\" focu","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"100 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144311737","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":"Biomass waste-enabled porous raw clay comp for efficient pollutant removal","authors":"Tiantian Zhang, Renlu Yuan, Song Yin, Sixiao Wang, Yinfeng Yu, Zepeng Zhang, Junming Geng","doi":"10.1016/j.apsusc.2025.163852","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163852","url":null,"abstract":"This study presents the fabrication of novel porous composite spheres (PCS) using biomass waste (maple leaf powder) and Linze palygorskite (LZ) via a polyvinyl alcohol-formaldehyde process. Material characterization reveals that the composite spheres exhibit a bulk density of 1.14 g·mL⁻¹, a porosity of 46.31 %, a particle strength of 218.40 N, and a loss rate of 2.09 %, with significantly improved pore structures compared to the biomass-free control (CS). At the optimal mass ratio of LZ to maple leaf powder (9: 1), PCS achieves high adsorption capacities for methylene blue, crystal violet, Pb²⁺, Ni²⁺, ciprofloxacin, and tetracycline hydrochloride, reaching 121.40, 110.40, 49.32, 33.87, 99.09, and 113.13 mg·g⁻¹, respectively—markedly higher than those of CS. After six recycling cycles, the adsorption capacities retain 72.87 %–97.86 % of their initial values. The adsorption mechanism highlights that the organic components of biomass enhance the removal of organic pollutants via π-π stacking interactions. This work provides a novel pathway for developing low-cost and high-efficiency adsorbents for wastewater treatment.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"296 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144311741","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":"Adjusting the electron configuration of MOFs-derived Ag/MnO1.1@C via electron transfer strategy to achieve a high-performance catalyst for potassium-oxygen batteries","authors":"Shuming Yu, Kedi Cai, Hao Zhao, Tan Wang, Tingting Qu, Lan Li, Jianbin Li, Chuangang Yao, Xiaoshi Lang","doi":"10.1016/j.apsusc.2025.163863","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163863","url":null,"abstract":"Potassium-oxygen (K-O₂) batteries can offer high energy density and low cost, but suffer from poor cycle life due to low efficiency and slow kinetics. Therefore, the development of efficient catalysts is the key to solve the problems. In this study, an efficient Ag/MnO_1.1@C composite is designed as a catalytic cathode for K-O₂ batteries via calcining MnAg-MOFs precursors. The porous chain structure of the material facilitates the storage of discharge products and diffusion of oxygen, while the oxygen vacancies enhance the adsorption of O₂ and catalytic activity. Furthermore, the interfacial electron transfer between Ag and MnO_1.1 induces surface charge redistribution, facilitating improved electrochemical reaction kinetics that effectively promote both formation and decomposition of the discharge product. And then, the coupling effect between Ag and MnO further promotes the electron transfer in the K-O₂ battery, which greatly enhances the ORR and OER activities. As a result, the Ag/MnO_1.1@C composite as an air cathode for K-O₂ batteries show a specific initial discharge capacity of 2328 mAh g⁻¹ (200 mAh g⁻¹ limiting capacity) and 145 stable cycles.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"44 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144319576","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":"Artemisia sphaerocephala krasch gum for selective pyrite depression in chalcopyrite flotation: Interfacial reaction and application research","authors":"Tao Chen, Runqing Liu, Min Wei, Jiale Sun, Wei Sun","doi":"10.1016/j.apsusc.2025.163851","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163851","url":null,"abstract":"This study investigates the use of artemisia sphaerocephala krasch gum (ASKG) as a biocompatible pyrite depressant to effectively achieve the flotation of chalcopyrite. The flotation performance of pyrite and chalcopyrite treated with ASKG was investigated through micro-flotation tests, and the interaction mechanism between ASKG and pyrite was systematically studied using various characterization techniques. Micro-flotation results showed that ASKG effectively depresses the flotation of pyrite at pH 8, while its effect on chalcopyrite flotation is negligible. Mixed-mineral micro-flotation tests further demonstrated that, under pH 8.0, the addition of 60 mg/L ASKG and 60 mg/L sodium butyl xanthate (SBX) resulted in a recovery rate of chalcopyrite in the froth product that was 60.46 % higher than that of pyrite. Contact angle measurements and Fourier-transform infrared spectroscopy (FTIR) revealed that ASKG preferentially adsorbs on pyrite rather than on chalcopyrite, and the pre-adsorbed ASKG hinders the subsequent adsorption of SBX on pyrite. X-ray photoelectron spectroscopy (XPS) and molecular dynamics (MD) simulations further confirmed that the –OH group in ASKG acts as the active group interacting with the pyrite surface, forming chemical chelation with ferric hydroxide on the pyrite surface. In conclusion, ASKG shows potential as a pyrite depressant for the selective flotation of chalcopyrite.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"30 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144311740","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}