Mei Hang Lei, Ding Ling Gao, Ya Yuan Zhang, Na Qin, Peng Xiang, Xiong Huang, Li Nan Xu, Jian Hua Chen, Qian Yang
{"title":"Efficient separation of phosphate ions from water across a wide pH range using a triphenylamine-p-phenylenediamine/TMC composite membrane","authors":"Mei Hang Lei, Ding Ling Gao, Ya Yuan Zhang, Na Qin, Peng Xiang, Xiong Huang, Li Nan Xu, Jian Hua Chen, Qian Yang","doi":"10.1016/j.apsusc.2025.164855","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164855","url":null,"abstract":"The persistent accumulation of phosphate ions in wastewater, which leads to eutrophication, has garnered substantial attention within the scientific community. Nanofiltration (NF) membranes are widely used for water treatment due to their simplicity, effective multivalent ion rejection, and absence of phase change; however, their practical application is limited by the “trade-off effect” and poor antifouling performance. Therefore, the development of membrane materials that simultaneously enhance rejection efficiency, flux, and anti-fouling performance is of great practical significance. In this study, polyaniline (Ani) and <em>para</em>-phenylenediamine (pPD) were polymerized in situ on a polyethersulfone (PES) support using ammonium persulfate as the oxidant to synthesize PAPD. Subsequently, PAPD was integrated with trimesoyl chloride through interfacial polymerization, thereby fabricating a PAPD/PES composite nanofiltration membrane specifically designed for phosphate separation. The membrane surface featured protruding structures with nanoscale particulate characteristics. At ambient temperature, under an operational pressure of 2.5 bar, with a solution pH of 9 and an initial phosphate concentration of 10 mg L<sup>–1</sup>, the membrane flux reached 58.15 L m<sup>–2</sup>h<sup>−1</sup> bar<sup>−1</sup>, with a phosphate rejection of 81.86 %. Stability tests confirmed excellent structural durability. In real wastewater containing 1.03 mg P L<sup>–</sup>1, the membrane reduced phosphate to 0.51 mg P L<sup>–</sup>1, meeting China’s Grade B discharge standard (1.0 mg P L<sup>–</sup>1). This work demonstrates that the PAPD/PES composite membrane, modified with Ani and pPD, provides enhanced phosphate rejection, high flux, and robust antifouling performance, offering a promising strategy for efficient water treatment and potential industrial-scale applications.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"36 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255294","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}
Iva Šarić Janković, Robert Peter, Ivna Kavre Piltaver, Harun Hano, Karlo Veličan, Antonio Borzatti, Mato Knez, Mladen Petravić
{"title":"Controlled reduction and development of in-gap states in anatase TiO2 under low-energy hydrogen bombardment","authors":"Iva Šarić Janković, Robert Peter, Ivna Kavre Piltaver, Harun Hano, Karlo Veličan, Antonio Borzatti, Mato Knez, Mladen Petravić","doi":"10.1016/j.apsusc.2025.164853","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164853","url":null,"abstract":"In this study, we investigate the reduction mechanism and modifications of the electronic structure of anatase TiO<sub>2</sub> thin films induced by low-energy H<sub>2</sub><sup>+</sup> ion bombardment at room temperature, focusing on hydrogen-induced changes in the oxidation states of Ti atoms, local chemical bonding of oxygen and the formation of defect states within the band gap. During the initial stages of bombardment, the energetic hydrogen reacts with lattice oxygen to form hydroxyl groups, followed by the reduction of Ti<sup>4+</sup> to Ti<sup>3+</sup>. For the higher doses, the formation of H − O − H bridge bonds causes splitting of O − Ti bonds and formation of H<sub>2</sub>O gas molecules, accompanied by a reduction of Ti<sup>3+</sup> and Ti<sup>4+</sup> states to Ti<sup>2+</sup>. At the same time, the reduction of Ti<sup>4+</sup> to lower oxidation states introduces some defect states within the band gap of TiO<sub>2</sub>, associated with Ti<sup>3+</sup> defects or the formation of double-oxygen-vacancy clusters at Ti<sup>2+</sup> sites.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"15 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255345","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}
Dzaki Ahmad Syaifullah , Muhammad Arkan Nuruzzahran , Rizky Dio Idhola , Nadhratun Naiim Mobarak , Hamad AlMohamadi , Shashikant Patole , Sasfan Arman Wella , Fiki Taufik Akbar , Jenny Rizkiana , Ni Luh Wulan Septiani , Adhitya Gandaryus Saputro
{"title":"Tuning oxygen evolution activity via transition metal doping in bimetallic nickel phosphates","authors":"Dzaki Ahmad Syaifullah , Muhammad Arkan Nuruzzahran , Rizky Dio Idhola , Nadhratun Naiim Mobarak , Hamad AlMohamadi , Shashikant Patole , Sasfan Arman Wella , Fiki Taufik Akbar , Jenny Rizkiana , Ni Luh Wulan Septiani , Adhitya Gandaryus Saputro","doi":"10.1016/j.apsusc.2025.164846","DOIUrl":"10.1016/j.apsusc.2025.164846","url":null,"abstract":"<div><div>The oxygen evolution reaction (OER) activity of transition metal-doped bimetallic nickel phosphate (NiMPO-X; M = Mn, Fe, Co; dopant X = Mn, Fe, Co, Cu) has been explored based on density functional theory (DFT) calculations combined with the computational hydrogen electrode (CHE) method and microkinetic simulations. Our findings showed that transition metal doping significantly affects the OER activity of bimetallic nickel phosphates by altering the local <em>d</em>-band center and optimizing the *O binding strength at the surface active site. Among NiMPO-X systems, the best OER performance was achieved by NiFePO-Co with a minimum overpotential of 0.26 V, followed by NiMnPO-Fe (0.27 V) and NiFePO-Mn (0.28 V), outperforming the undoped bimetal NiMPO. These findings highlight the importance of dopant selection to maximize the OER activity of bimetallic nickel phosphate-based catalysts.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164846"},"PeriodicalIF":6.9,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255343","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":"Oxygen exchange kinetics of BaFeO3–δ modified with Ce and/or Y: oxygen isotope exchange and pressure relaxation","authors":"A.V. Khodimchuk , D.M. Zakharov , E.V. Gordeev , I.V. Svishch , N.M. Porotnikova , A.D. Koryakov , A.M. Shalamova , A.Yu. Suntsov","doi":"10.1016/j.apsusc.2025.164823","DOIUrl":"10.1016/j.apsusc.2025.164823","url":null,"abstract":"<div><div>The kinetics of surface oxygen exchange between the gas phase and new, highly efficient electrode materials based on doped barium ferrite oxide with triple H<sup>+</sup>/O<sup>2–</sup>/e<sup>–</sup> conductivity were studied by two independent methods. The oxygen chemical surface exchange coefficients (<em>k<sup>δ</sup></em>) for BaFe<sub>0.9</sub>Ce<sub>0.1</sub>O<sub>3–</sub><em><sub>δ</sub></em>, BaFe<sub>0.9</sub>Y<sub>0.1</sub>O<sub>3–</sub><em><sub>δ</sub></em> and BaFe<sub>0.8</sub>Ce<sub>0.1</sub>Y<sub>0.1</sub>O<sub>3–</sub><em><sub>δ</sub></em> dense samples have been measured by oxygen pressure relaxation (OPR) method under non-equilibrium conditions at <em>ΔT</em> = 600–800 °C and <em>Δp</em>O<sub>2</sub> = 0.1–3.5 kPa. A correlation was found between the chemical surface oxygen exchange coefficient and the oxygen content of the oxides. The mechanism of surface oxygen exchange in the gaseous oxygen – oxide system was determined by the method of pulsed isotope exchange (PIE) under conditions of adsorption–desorption equilibrium on oxide powders at <em>ΔT</em> = 350–600 °C and a partial pressure of oxygen <em>p</em>O<sub>2</sub> = 21.3 kPa. The values of the rates of oxygen heterogenous surface exchange (<em>r<sub>H</sub></em>) and the rates of elementary steps of oxygen exchange were calculated, and the effective activation energies of these processes were determined. The influence of the temperature, the oxygen pressure and the cationic composition of the material on the change in the kinetic characteristics of oxygen exchange was discussed.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164823"},"PeriodicalIF":6.9,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255348","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":"Addressing phosphate removal issues during peritoneal dialysis using colloidally stable iron oxide nanoclusters coated with tannic acid","authors":"Théo Lucante , Philippe Choquet , Joana Vaz-Ramos , Vincent Ball , Dominique Bégin , Cedric Leuvrey , Vasiliki Papaefthymiou , Spyridon Zafeiratos , Ariane Zaloszyc , Sylvie Bégin-Colin","doi":"10.1016/j.apsusc.2025.164782","DOIUrl":"10.1016/j.apsusc.2025.164782","url":null,"abstract":"<div><div>Removal of chronic excess phosphates in blood is critical for patients suffering from end-stage renal disease (ESRD). ESRD patients can be treated with peritoneal dialysis (PD), during which phosphates are transported from the blood to a specific solution, named dialysate, introduced into their peritoneal cavity. However, phosphate removal in PD is currently insufficient but could be improved by introducing in dialysate phosphate adsorbents. Iron oxide nanoparticles are biocompatible and well-known effective phosphate adsorbents, but their colloidal stability at physiological pH and adsorption capacity in high ionic strength aqueous media such as dialysate are significant challenges. Here, we have evaluated the potential of tannic acid-coated iron oxide raspberry-shaped nanoclusters (RSNs@TA) for improving phosphate adsorption in dialysate. We have investigated the influence of the TA coating on phosphate adsorption by performing adsorption experiments with uncoated and TA-coated RSNs. In parallel, we have studied the influence of electrolytes and compounds in dialysate on phosphate adsorption by conducting experiments in pH 7 water and dialysate. The TA coating was shown to provide a high colloidal stability to the nanoclusters and mitigates the inhibitory effect of electrolytes in dialysate on phosphate adsorption. Indeed, electrolytes in dialysate decreased the phosphate adsorption on both nanoclusters but especially on uncoated ones by disturbing phosphate outer-sphere complexes. Thus, RSNs@TA demonstrated enhanced adsorption capacity compared to uncoated RSNs in dialysate (20.7 ± 6.4 mg P.g<sup>−1</sup>) and in pH 7 water (26.4 ± 8.1 mg P.g<sup>−1</sup>). These results established RSNs@TA as promising adsorbents for phosphate removal in dialysate during a PD process<strong>.</strong></div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164782"},"PeriodicalIF":6.9,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255351","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}
Woon-San Ko , Myeong-Ho Song , Hye-Ri Hong , Do-Yeon Lee , Dong-Hyeuk Choi , Ga-Won Lee
{"title":"Endurance enhancement of ZnO RRAM through interfacial oxidation control and conduction mechanism analysis","authors":"Woon-San Ko , Myeong-Ho Song , Hye-Ri Hong , Do-Yeon Lee , Dong-Hyeuk Choi , Ga-Won Lee","doi":"10.1016/j.apsusc.2025.164807","DOIUrl":"10.1016/j.apsusc.2025.164807","url":null,"abstract":"<div><div>In this study, the reliability of ZnO RRAM with Ti electrodes is investigated, with a focus on the formation of titanium oxide (TiO<sub>X</sub>) at the Ti<img>ZnO interface. Electrical measurements, including DC sweep endurance tests, reveal that the TiO<sub>X</sub> interfacial layer contributes to elevated high-resistance states and overall performance degradation. To directly observe interfacial composition, atom probe tomography (APT) was employed, providing high-resolution three-dimensional chemical mapping. The APT results confirmed that oxygen diffuses from the ZnO layer into the Ti electrode during operation, forming a distinct TiOx layer. To further understand the impact of this interfacial oxide on electrical behavior, we performed current–voltage fitting with Schottky emission models. These analyses indicated that the formation of the TiO<sub>X</sub> layer increased the Schottky barrier height. To mitigate these phenomenon, we introduced a silicon carbon nitride (SiCN) layer between the ZnO and Ti electrodes, deposited via plasma-enhanced atomic layer deposition (PEALD). The SiCN layer acts as an effective oxygen diffusion barrier. Devices incorporating this layer exhibited significantly improved switching uniformity, enhanced endurance, and reduced cycle-to-cycle variability. The structural properties of the ZnO layer were verified using X-ray diffraction (XRD), and secondary ion mass spectrometry (SIMS) confirmed the suppression of oxygen migration. Although the SiCN barrier caused a slight increase in operating voltage, the overall improvement in device stability and reliability highlights the effectiveness of interface engineering. These findings offer valuable insight into interfacial control strategies for high-performance and reliable oxide-based RRAM devices.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164807"},"PeriodicalIF":6.9,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255353","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}
Zhengjie Wang, Chunlei Huang, Weiwei Zeng, Yiming Chen, Fengyan Xie, Dongli Meng, Hualiang Yu, Jun Wang
{"title":"Three-dimensional ZnO/g-C3N4/Ag SERS substrate: A three-in-one synergistic enhancement strategy for trace-level pesticide detection on fruits","authors":"Zhengjie Wang, Chunlei Huang, Weiwei Zeng, Yiming Chen, Fengyan Xie, Dongli Meng, Hualiang Yu, Jun Wang","doi":"10.1016/j.apsusc.2025.164852","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164852","url":null,"abstract":"Surface-enhanced Raman scattering (SERS) substrates with intense hot spots, superior charge transfer, and exceptional adsorption properties have garnered significant interest in ultrasensitive pesticide detection on fruits. Herein, we developed three-dimensional ZnO nanoflowers coated with ultrathin g-C<sub>3</sub>N<sub>4</sub> layers and decorated with Ag nanoparticles (ZnO/g-C<sub>3</sub>N<sub>4</sub>/Ag) as SERS substrates. Electromagnetic simulations reveal that the ZnO/g-C<sub>3</sub>N<sub>4</sub> nanosheets enhance electromagnetic field localization and generate abundant “hot spots”. The ZnO/g-C<sub>3</sub>N<sub>4</sub> nanosheets also provide extensive heterojunction areas and improve analyte adsorption, facilitating charge separation and transfer. These synergistic effects yield exceptional SERS performance, achieving a picomolar-level detection limit for R6G and exceptional self-cleaning capabilities. This substrate effectively detects multiple pesticides on apple skin, with detection limits as low as a few ng/cm<sup>2</sup>. This research paves the way for developing novel 3D g-C<sub>3</sub>N<sub>4</sub>-based SERS substrates, advancing the highly sensitive detection of pesticide residues on fruits.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"26 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255296","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":"Atomic-level contact formation between LiNbO3 and Si wafers via surface-activated bonding at room temperature","authors":"Seigo Murakami, Ryo Takigawa","doi":"10.1016/j.apsusc.2025.164850","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164850","url":null,"abstract":"Fabrication of high-quality LiNbO<sub>3</sub>/Si interfaces is crucial for the heterogeneous wafer-level integration of single crystal LiNbO<sub>3</sub> and Si. Bonded LiNbO<sub>3</sub>/Si wafers are promising for integrated photonics and RF devices owing to their unique electro-optic, nonlinear-optic, and piezoelectric properties. This study focuses on forming a directly bonded interface between LiNbO<sub>3</sub> and Si wafers using the surface-activated bonding (SAB) method, combined with Ar fast atom beam irradiation at room temperature, and on performing atomic-level analyses of the LiNbO<sub>3</sub>/Si bonded interface and debonded surfaces. The surface activation process produces amorphous Li-deficient LiNbO<sub>3</sub> and Si layers. The SAB method enables LiNbO<sub>3</sub> and Si wafers to form a void-free, atomically bonded interface. Atomic-scale observations and elemental analyses of both the bonded interface and debonded surfaces suggest that the bond strength between LiNbO<sub>3</sub> and Si is primarily determined by the Ar irradiation-induced amorphous LiNbO<sub>3</sub> layer. This study lays a foundation for the future development and mechanistic understanding of SAB for fabricating heterogeneously integrated LiNbO<sub>3</sub> wafers, with potential applications in photonic and RF devices.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"122 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255346","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}
Li Shao , Xuan Li , Yanli Yang , Yuantao He , Yan Li , Jiehu Cui
{"title":"Ag-doped P3S2-I monolayers: selective and robust toxic gas detection in ambient environments","authors":"Li Shao , Xuan Li , Yanli Yang , Yuantao He , Yan Li , Jiehu Cui","doi":"10.1016/j.apsusc.2025.164844","DOIUrl":"10.1016/j.apsusc.2025.164844","url":null,"abstract":"<div><div>The sensing capabilities of pristine and Ag-doped P<sub>3</sub>S<sub>2</sub>-I (Ag-PS) monolayers toward toxic gases such as SO<sub>2</sub>, CO, HCN, and H<sub>2</sub>S were investigated using DFT simulations. Intrinsic P<sub>3</sub>S<sub>2</sub>-I exhibits semiconductor properties but shows limited gas adsorption capacity due to low adsorption energies (E<sub>ad</sub>). In contrast, Ag-doping induces metallization (bandgap closure) and enhances surface reactivity. Ag-PS demonstrates strong chemisorption of all target gases (E<sub>ad</sub> ranging from −0.682 to −1.149 eV), accompanied by the reopening of a direct bandgap (1.269–1.398 eV). Variations in work function and optical properties further support Ag-PS’s potential for selective gas detection. Notably, Ag-PS maintains selectivity even in humid/ambient conditions (with negligible interference from O<sub>2</sub>, H<sub>2</sub>O, CO<sub>2</sub>, and N<sub>2</sub>), affirming its utility as a robust detector and scavenger for toxic gases. These findings highlight Ag-PS as a promising candidate for environmental monitoring systems, leveraging doping-enhanced electronic and optical responsiveness for gas sensing applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164844"},"PeriodicalIF":6.9,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145254901","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":"Multiscale separation mechanisms of novel eco-friendly depressants in hematite reverse flotation","authors":"Chao Yang, Jinxia Zhang, Fusheng Niu","doi":"10.1016/j.apsusc.2025.164729","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164729","url":null,"abstract":"This study delves into the separation mechanism of hematite from quartz in reverse flotation using quercetin as a novel eco-friendly depressant. Micro-flotation tests were combined with molecular dynamics simulations. The underlying separation mechanisms were then elucidated through multi-scale analyses, including FTIR, XPS, AFM, and optical microscopy. Results show quercetin effectively separates hematite and quartz at pH 10, yielding a TFe grade of 63.44 % and recovery of 89.72 % in the mixed ore concentrate. Compared to neutral conditions, the concentrate grade increased by 1.21 %, with the recovery rate decreasing by only 0.24 %. FT-IR analysis showed that the surface of hematite treated with quercetin, a novel eco-friendly depressant, exhibited hydroxyl group peaks characteristic of quercetin. XPS analysis further indicated that the hydroxyl groups in quercetin chemically adsorbed onto the Fe on the hematite surface. AFM analysis revealed that after treatment with quercetin, the vertical fluctuation range of the cross-sectional height of hematite was relatively large, and the hematite surface exhibited several flaky protuberances. Molecular dynamics calculations show a significant peak near 2 Å for the interaction between the –OH in quercetin and Fe on hematite, and a peak near 3 Å for the interaction between the –NH<sub>2</sub> in DDA and O on quartz. These results are consistent with flotation tests results, indicating the accuracy of the molecular dynamics simulation calculations. This study offers an eco-efficient selective depressant for hematite and gangue mineral separation, with theoretical and practical significance for the sustainable development of clean mines.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"20 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255352","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}