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Synergistic coupling of NiLa2O2(CO3) with MnO2/GO for durable and efficient water splitting in an alkaline condition NiLa2O2(CO3)与MnO2/GO的协同耦合在碱性条件下实现持久高效的水分解
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-10-01 DOI: 10.1016/j.surfin.2025.107749
Samikannu Prabu , Ranjith Kumar Dharman , Jagadeesh Kumar Alagarasan , Kung-Yuh Chiang , Tae Hwan Oh
{"title":"Synergistic coupling of NiLa2O2(CO3) with MnO2/GO for durable and efficient water splitting in an alkaline condition","authors":"Samikannu Prabu ,&nbsp;Ranjith Kumar Dharman ,&nbsp;Jagadeesh Kumar Alagarasan ,&nbsp;Kung-Yuh Chiang ,&nbsp;Tae Hwan Oh","doi":"10.1016/j.surfin.2025.107749","DOIUrl":"10.1016/j.surfin.2025.107749","url":null,"abstract":"<div><div>Water electrolysis represents a promising route for clean energy production, driving the development of innovative non-precious electrocatalysts to enhance efficiency and kinetic rates. In this work, the NiLa<sub>2</sub>O<sub>2</sub>(CO<sub>3</sub>)@MnO<sub>2</sub>/GO (NLOC@MnO<sub>2</sub>/GO) was prepared using a two-step approach involving pyrolysis and a hydrothermal process. The NLOC@MnO<sub>2</sub>/GO electrocatalysts showed a lower overpotential of oxygen evolution reaction (OER) for 190 mV and hydrogen evolution reaction (HER) for 78 mV at the current density of 10 mA cm<sup>-2</sup>. Moreover, it exhibited excellent electrocatalytic stability over 55 h at a high current density of 50 and -100 mA cm<sup>-2</sup>. The NLOC@MnO<sub>2</sub>/GO served as both electrode (cathode and anode) in a two-electrode water splitting device, delivering 10, 100, and 300 mA cm<sup>-2</sup> at 1.56, 1.66, and 1.72 V, respectively. The exceptional activity arises from the intertwined architecture: Ni provides tunable electronic states, MnO<sub>2</sub> introduces multi-electron redox centers, and GO scaffolds facilitate rapid ion/electron transport while preserving structural integrity. This study advances bifunctional electrocatalyst design and rare-earth engineering, integrating electronic modulation, active-site density, and mass transport in a single platform, while laying the foundation for future multi-functional, earth-abundant hybrid catalysts in clean energy applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"74 ","pages":"Article 107749"},"PeriodicalIF":6.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145221626","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}
引用次数: 0
First-principle investigation of electronic coupling and charge transfer in ZnO/VS₂ Z-scheme heterostructure for superior photocatalytic water splitting ZnO/VS₂z异质结构中电子耦合和电荷转移的第一性原理研究
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-10-01 DOI: 10.1016/j.surfin.2025.107745
Saba Shoaib , Mian Azmat , Caimu Wang , Hajra Baig , Wei Guo , Zebiao Li , Xinxin Lu , Zhuo Chen
{"title":"First-principle investigation of electronic coupling and charge transfer in ZnO/VS₂ Z-scheme heterostructure for superior photocatalytic water splitting","authors":"Saba Shoaib ,&nbsp;Mian Azmat ,&nbsp;Caimu Wang ,&nbsp;Hajra Baig ,&nbsp;Wei Guo ,&nbsp;Zebiao Li ,&nbsp;Xinxin Lu ,&nbsp;Zhuo Chen","doi":"10.1016/j.surfin.2025.107745","DOIUrl":"10.1016/j.surfin.2025.107745","url":null,"abstract":"<div><div>Hydrogen energy is pivotal in facilitating a green and low-carbon transition, and solar irradiation offers a viable pathway for producing clean hydrogen. However, its efficiency is hindered by rapid electron-hole recombination. In the present study, this limitation is addressed by constructing a ZnO/VS<sub>2</sub> heterostructure that generates an interfacial electric field to improve charge separation and prolong carrier lifetimes. First-principles calculations reveal that the ZnO/VS<sub>2</sub> van der Waals heterostructure combines thermodynamic stability, confirmed by binding energy, elastic modulus, and AIMD simulations, with strong photocatalytic potential for the hydrogen evolution reaction (HER) under visible light. Differential charge density mapping shows an intrinsic interfacial electric field that improves charge separation, enabling spontaneous redox-driven water splitting at pH = 0. The heterostructure achieves a peak solar-to-hydrogen efficiency of 38.3 % and carrier mobility of 2882.14 cm²/Vs. Biaxial strain (−3 % to +3 %) progressively narrows the band gap, while hydrogen adsorption analysis yields a near-optimal ΔG<sub>H</sub> confirming favorable HER thermodynamics. These results position ZnO/VS<sub>2</sub> as a potential photocatalyst for high performance solar hydrogen production.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"74 ","pages":"Article 107745"},"PeriodicalIF":6.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145221627","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}
引用次数: 0
Surface modification of PVDF membrane by physical co-deposition and bridging grafting strategy for enhanced anti-fouling performance 用物理共沉积和桥接枝策略对PVDF膜进行表面改性以提高其防污性能
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-10-01 DOI: 10.1016/j.surfin.2025.107779
Cong Shen , Pengfei Zhang , Shang Xiang , Zhenyu Cui
{"title":"Surface modification of PVDF membrane by physical co-deposition and bridging grafting strategy for enhanced anti-fouling performance","authors":"Cong Shen ,&nbsp;Pengfei Zhang ,&nbsp;Shang Xiang ,&nbsp;Zhenyu Cui","doi":"10.1016/j.surfin.2025.107779","DOIUrl":"10.1016/j.surfin.2025.107779","url":null,"abstract":"<div><div>Polyvinylidene fluoride (PVDF) has emerged as a prominent ultrafiltration (UF) membrane material owing to its exceptional chemical resistance, superior mechanical strength, and remarkable thermal stability. Nevertheless, its widespread application is constrained by inherent limitations, notably its pronounced hydrophobicity and suboptimal anti-fouling performance. In this work, we introduced an innovative approach combining physical co-deposition and bridging grafting technique to fabricate supramolecular hydroxyl bundles on PVDF membrane surface, thereby enhancing both hydrophilicity and anti-fouling performance. The PVDF/styrene-co-maleic anhydride (SMA)-g-polyethylene glycol (PEG)-g-polyvinyl alcohol (PVA) membrane was prepared through our novel grafting approach. We systematically investigated the formation and evolution of the grafted membrane surface, focusing on chemical structure and surface morphology at varying concentrations. Our results demonstrated that this method significantly improved membrane hydrophilicity, consequently enhancing its anti-fouling performance. Furthermore, we examined the correlation between membrane surface morphology and its permeability and anti-fouling performance. The implementation of the supramolecular hydroxyl bundle isolation layer (SHBIL) has shown remarkable improvements in anti-fouling performance, achieving a bovine serum albumin (BSA) rejection rate exceeding 97% at an optimal PVA concentration of 8%. This research provides valuable insights into the hydrophilic modification of PVDF membrane with superior anti-fouling performance and presents a novel perspective for understanding the underlying anti-fouling mechanism.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107779"},"PeriodicalIF":6.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223517","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}
引用次数: 0
CO2 methanation mechanism on Ru4/Cr2O3 and factors for selective hydrogenation on supported metal catalysts: A DFT study 负载型金属催化剂上Ru4/Cr2O3的CO2甲烷化机理及选择性加氢因素的DFT研究
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-10-01 DOI: 10.1016/j.surfin.2025.107771
Xiaowei Wang , Canxin Hua , Meifeng Ma , Xiuzhong Fang , Xiang Wang , Xianglan Xu
{"title":"CO2 methanation mechanism on Ru4/Cr2O3 and factors for selective hydrogenation on supported metal catalysts: A DFT study","authors":"Xiaowei Wang ,&nbsp;Canxin Hua ,&nbsp;Meifeng Ma ,&nbsp;Xiuzhong Fang ,&nbsp;Xiang Wang ,&nbsp;Xianglan Xu","doi":"10.1016/j.surfin.2025.107771","DOIUrl":"10.1016/j.surfin.2025.107771","url":null,"abstract":"<div><div>Unraveling reaction mechanisms and identifying the drivers of selectivity remain grand challenges in heterogeneous catalysis. Here, density functional theory calculations were performed to investigate CO<sub>2</sub> methanation on an oxygen-deficient Cr<sub>2</sub>O<sub>3</sub> (012)-supported Ru<sub>4</sub> cluster (Ru<sub>4</sub>/Cr<sub>2</sub>O<sub>3</sub>–O<sub>v</sub>) and to decode the origin of product selectivity across M<sub>4</sub>/Cr<sub>2</sub>O<sub>3</sub>–O<sub>v</sub> (M = Ru, Ni, Pt) surfaces. CO<sub>2</sub> adsorbs at bridge Ru sites and is readily activated, while H₂ dissociates spontaneously on Ru sites. The CO* pathway that CO<sub>2</sub>* → CO* → HCO* → CH<sub>2</sub>O* → CH<sub>2</sub>* → CH<sub>4</sub>, is the most favorable route, with the dissociation of CO<sub>2</sub>* and deoxygenation of CH<sub>2</sub>O* acting as rate-determining steps with energy barriers of approximately 1.0 eV. Comparative analysis shows that the oxygen adsorption energy on M<sub>4</sub>/Cr<sub>2</sub>O<sub>3</sub>–O<sub>v</sub> dictates CO<sub>2</sub> hydrogenation selectivity. Moreover, a smaller work function of metal strengthens O* binding and thereby promotes CH<sub>4</sub> selectivity. Conversely, a bigger work function weakens O* adsorption and favors CO formation. These findings establish the work function of metals as an intrinsic, experimentally accessible descriptor for tuning CO<sub>2</sub> hydrogenation selectivity, guiding the rational design of supported metal catalysts.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107771"},"PeriodicalIF":6.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270730","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}
引用次数: 0
‘Similar but compatible’ inspired functionalisation of different 4-substituted benzoic acid functionalised MWCNT to improve dispersibility in NMP solvent 不同4-取代苯甲酸功能化MWCNT的“相似但兼容”启发功能化,以提高NMP溶剂中的分散性
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-10-01 DOI: 10.1016/j.surfin.2025.107726
Zhenyu Zhang , Tao Zhang , Chen Ke , Dandan Wu , Jichao Shi , Lin Lin , Guangyue Wan , Shufang Chang , Xiaowei Xu , Runping Jia
{"title":"‘Similar but compatible’ inspired functionalisation of different 4-substituted benzoic acid functionalised MWCNT to improve dispersibility in NMP solvent","authors":"Zhenyu Zhang ,&nbsp;Tao Zhang ,&nbsp;Chen Ke ,&nbsp;Dandan Wu ,&nbsp;Jichao Shi ,&nbsp;Lin Lin ,&nbsp;Guangyue Wan ,&nbsp;Shufang Chang ,&nbsp;Xiaowei Xu ,&nbsp;Runping Jia","doi":"10.1016/j.surfin.2025.107726","DOIUrl":"10.1016/j.surfin.2025.107726","url":null,"abstract":"<div><div>MWCNTs are frequently used as filler materials in lithium-ion battery anodes due to their excellent electrical conductivity, thermal conductivity, and mechanical properties. Achieving uniform dispersion of MWCNTs at high solid content in NMP while maintaining the conductive properties of the slurry is a prerequisite for preparing high-performance battery materials. However, the tendency of MWCNTs to intertwine and agglomerate, which increases proportionally with their solid content as fillers, currently hinders the effective dispersion of high-solid-content MWCNTs in solvents. This study uses NMP, a common solvent for lithium-ion battery anodes, as an example. Various functionalized benzoic acids with similar electrostatic potentials to NMP were selected to functionalize inert MWCNTs via electrophilic substitution reactions. This approach achieves uniform, ‘ink-like’ dispersion of functionalized multi-walled carbon nanotubes (X-MWCNTs) with 8 % solid content in NMP while minimizing conductivity loss. with stable dispersion lasting over 60 days. The effectively dispersed X-MWCNTs exceeded the solid content of conventional MWCNT fillers by fourfold. The experimental design drew inspiration from the chemical adage ‘like dissolves like,’ and DFT computational simulations confirmed this ‘like dissolves like’ characteristic. Both theoretical and experimental results indicate that MWCNTs modified with alkoxybenzoyl, aminobenzoic acid, hydroxybenzoyl groups whose polarity slightly exceeds that of NMP yields superior dispersion of X-MWCNTs in NMP compared to MWCNTs modified with halogenated or nitro groups, whose polarity is slightly lower than NMP.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"74 ","pages":"Article 107726"},"PeriodicalIF":6.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145221609","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}
引用次数: 0
Temperature-dependent impurity control and electronic structure optimization in ALD-deposited Al2O3 films for enhanced functional applications ald沉积Al2O3薄膜的温度依赖性杂质控制和电子结构优化,用于增强功能应用
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-10-01 DOI: 10.1016/j.surfin.2025.107778
Bingbing Xia , Emrick Briand , Sébastien Steydli , Jean-Jacques Ganem , Aleksandra Baron-Wiechec , Ian Vickridge
{"title":"Temperature-dependent impurity control and electronic structure optimization in ALD-deposited Al2O3 films for enhanced functional applications","authors":"Bingbing Xia ,&nbsp;Emrick Briand ,&nbsp;Sébastien Steydli ,&nbsp;Jean-Jacques Ganem ,&nbsp;Aleksandra Baron-Wiechec ,&nbsp;Ian Vickridge","doi":"10.1016/j.surfin.2025.107778","DOIUrl":"10.1016/j.surfin.2025.107778","url":null,"abstract":"<div><div>Al<sub>2</sub>O<sub>3</sub> thin films grown by atomic layer deposition (ALD) have been subject to great attention due to their application in electronic and energy devices. We present a new look at classical Al<sub>2</sub>O<sub>3</sub> ALD growth with water vapour and Al(CH<sub>3</sub>)<sub>3</sub> precursors by paying particular attention to the nature and concentration of contaminant atoms coming from residual precursor. Using a combination of Ion Beam Analysis (IBA), Monochromatized X-ray photoelectron spectroscopy (XPS), Ultraviolet photoelectron spectroscopy (UPS) and electron energy loss spectroscopy (EELS) we show that the band structure can be influenced by the residual hydrogen concentration which determines a balance between hydroxyl formation and the formation of oxygen vacancies, whereas the band structure is insensitive to residual carbon contamination. Use of deuterium enriched water vapour as precursor, combined with isotopically sensitive IBA analysis shows that the residual source of the hydrogen in the film, the TMA and water varies with the growth temperature. This finding is particularly relevant for applications where hydrogen state and oxygen stoichiometry is crucial, such as in battery, dielectrics, passivation layers, or gas-sensing applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107778"},"PeriodicalIF":6.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270383","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}
引用次数: 0
Slurry erosion performance of HVOF-sprayed WC-based coatings on Al6061 alloy Al6061合金hvof喷涂wc基涂层的液浆侵蚀性能
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-09-30 DOI: 10.1016/j.surfin.2025.107777
Vijay C G , Manjunatha K , Santhosh Kumar B M , Girish D P , Dinesh M H
{"title":"Slurry erosion performance of HVOF-sprayed WC-based coatings on Al6061 alloy","authors":"Vijay C G ,&nbsp;Manjunatha K ,&nbsp;Santhosh Kumar B M ,&nbsp;Girish D P ,&nbsp;Dinesh M H","doi":"10.1016/j.surfin.2025.107777","DOIUrl":"10.1016/j.surfin.2025.107777","url":null,"abstract":"<div><div>This study examines the wear resistance and erosion resistance of tungsten carbide (WC) coatings sprayed with HVOF on Al6061 alloy. It highlights the impact of coating thicknesses (100 µm and 200 µm) under slurry erosion circumstances. Even though Al6061 alloy has good mechanical qualities, it does not withstand erosion well in high-velocity slurry conditions. Surface hardness and resistance to material loss were greatly increased by the application of WC coatings using the HVOF technique. A dense, homogeneous coating morphology with low porosity was validated by microstructural analysis using SEM and EDAX, guaranteeing excellent adherence to the substrate. In comparison to uncoated Al6061, the 200 µm WC coating reduced weight loss by up to 46 % in the slurry erosion tests, prevailing over the 100 µm coating, which demonstrated a 30 % reduction. The Hardness of Al6061 increased from 80 VHN to 500 VHN with the 200 µm WC coating, representing a remarkable improvement. The study highlights the novelty of systematically optimizing WC coating thickness for superior erosion resistance, with results demonstrating the effectiveness of thicker coatings in mitigating erosion-induced material loss.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107777"},"PeriodicalIF":6.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270320","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}
引用次数: 0
Strain-modulated photocatalytic hydrogen production and storage capacity analysis of Li2S monolayer: A DFT approach 应变调制光催化制氢及Li2S单层储氢容量分析:DFT方法
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-09-30 DOI: 10.1016/j.surfin.2025.107772
Abdul Rehman , Ghulam Nabi , S.S.A. Gillani , Abdullah K. Alanazi , M. Shakil
{"title":"Strain-modulated photocatalytic hydrogen production and storage capacity analysis of Li2S monolayer: A DFT approach","authors":"Abdul Rehman ,&nbsp;Ghulam Nabi ,&nbsp;S.S.A. Gillani ,&nbsp;Abdullah K. Alanazi ,&nbsp;M. Shakil","doi":"10.1016/j.surfin.2025.107772","DOIUrl":"10.1016/j.surfin.2025.107772","url":null,"abstract":"<div><div>The theoretical prospect of Li<sub>2</sub>S monolayer for hydrogen production and storage is reported. The density functional theory is used to examine its structural, electronic, photocatalytic, optical properties, and hydrogen storage capabilities under biaxial strain. The phonon dispersion graphs alongside AIMD simulations at 300 K &amp; 500 K confirmed the structure as stable. The investigated material revealed itself as a direct band gap semi-conductor and good optical absorption in the visible region under all applied strains. The suitable band edge positions and spontaneous water splitting for hydrogen evaluation reaction under 4% biaxial strain make it a leading candidate for hydrogen production. Furthermore, the hydrogen storage analysis revealed that the highest adsorption energy for H<sub>2</sub> adsorption appears when monolayer is under -4% strains. For full storage analysis, studied monolayer adsorbed 21 H<sub>2</sub> with an average adsorption energy (<span><math><mover><mrow><msub><mi>E</mi><mrow><mi>a</mi><mi>d</mi></mrow></msub></mrow><mo>‾</mo></mover></math></span>) of -0.276 eV and desorption temperature of 352.9 K at -4% strain. Its gravimetric capacity is evaluated as 9.3% which swiftly surpasses the landmark of 5.5% from US department of energy and many renowned materials like C<sub>3</sub>N (6.78%), and C<sub>3</sub>N<sub>4</sub> (7.29%). Therefore, Li<sub>2</sub>S monolayer under biaxial strain can be estimated as an ideal candidate for hydrogen’s production and storage.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107772"},"PeriodicalIF":6.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270725","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}
引用次数: 0
Machine learning-enhanced Kretschmann configuration plasmonic biosensor for real-time brain tumor biomarker detection 用于实时脑肿瘤生物标志物检测的机器学习增强Kretschmann配置等离子体生物传感器
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-09-30 DOI: 10.1016/j.surfin.2025.107774
Jacob Wekalao , Ming Li , Fangxin Zhang , Xinyu Zhang , Wen Liu
{"title":"Machine learning-enhanced Kretschmann configuration plasmonic biosensor for real-time brain tumor biomarker detection","authors":"Jacob Wekalao ,&nbsp;Ming Li ,&nbsp;Fangxin Zhang ,&nbsp;Xinyu Zhang ,&nbsp;Wen Liu","doi":"10.1016/j.surfin.2025.107774","DOIUrl":"10.1016/j.surfin.2025.107774","url":null,"abstract":"<div><div>Brain tumors present significant diagnostic challenges due to delayed symptom manifestation and inadequate early detection methods. Conventional imaging techniques (MRI, CT) lack molecular specificity, while spectroscopic approaches typically exhibit limited sensitivity. In this study, we developed a plasmonic biosensor utilizing Kretschmann configuration with Au/Ag/WS₂ multilayers and graphene for real-time, label-free brain tumor biomarker detection. The sensor exploits surface plasmon resonance amplification in the infrared spectrum to identify distinct molecular vibrational signatures of tumor-associated biomolecules, including altered proteins and lipids.Numerical simulations demonstrate exceptional performance metrics: sensitivity of 804.020°/RIU, detection limit of 0.003 RIU, and figure of merit of 164.086 RIU⁻¹ across refractive indices spanning 1.3333–1.4833, encompassing varied biomarker concentrations. XGBoost machine learning optimization enhances detection accuracy and reliability. Correlation analyses between predicted and Simulation absorption values yield R² coefficients of 88–94 % across WS₂ thickness variations and Ag/Au layer parameters. Under optimized conditions, maximum R² values achieve 94–100 % for Ag layers and 96–100 % for Au layers, confirming robust predictive capability and superior performance under optimal operating parameters. This integrated plasmonic-ML platform represents a promising advancement toward sensitive, early-stage brain tumor diagnosis.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107774"},"PeriodicalIF":6.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145223538","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}
引用次数: 0
"Navigating the impurity-obstructive electronegative interfacial carbonate on the hybrid ceria/carbonate interface for solid oxide fuel cells." “在固体氧化物燃料电池的混合氧化铈/碳酸盐界面上导航杂质阻碍电负性界面碳酸盐。”
IF 6.3 2区 材料科学
Surfaces and Interfaces Pub Date : 2025-09-30 DOI: 10.1016/j.surfin.2025.107776
Muhammad Sarfraz Arshad , Caren Billing , Wanbing Guan , Naveed Mushtaq
{"title":"\"Navigating the impurity-obstructive electronegative interfacial carbonate on the hybrid ceria/carbonate interface for solid oxide fuel cells.\"","authors":"Muhammad Sarfraz Arshad ,&nbsp;Caren Billing ,&nbsp;Wanbing Guan ,&nbsp;Naveed Mushtaq","doi":"10.1016/j.surfin.2025.107776","DOIUrl":"10.1016/j.surfin.2025.107776","url":null,"abstract":"<div><div>Ceria-carbonate composite electrolytes have received much attention in recent years for application in low-temperature solid oxide fuel cells (LT-SOFCs). The principal advantage of carbonate in composite electrolytes is its role in conductivity enhancement, proposed through several different mechanisms. This study navigates the scarcely studied obstruction caused by electronegative interfacial carbonate to impurity intrusion into the ceria lattice, with some interesting facts being noted. The methodically examined structure-property relationship of systematically annealed doped ceria, incorporated with carbonate at the grain boundary region, revealed a change in the nature of carbonate especially when annealed between 600 –800 °C. Owing to the electronegativity difference between carbonate and host ceria, the added impurities (magnesium and lithium) showed preferential bonding with the interfacial carbonate evidenced by a change in peak positions for carbonate in the Raman spectra. This was further supported by an increase in defect concentration for samples that were annealed at 600 °C, which unexpectedly declined when the annealing temperature was increased to 800 °C, as demonstrated by the quantitative analysis of Raman spectra. Electrochemical impedance spectroscopy (EIS) indicated lower activation energy in the presence of carbonate, leading to reduced electrolyte resistance, thereby resulting in enhanced interfacial conductivity. Volatilizing the interfacial carbonate by annealing the prepared samples at higher temperatures (1200 °C) resulted in a second-stage incorporation of impurities, especially lithium, in the ceria phase. The fuel cell performance of selected high-temperature annealed samples showed impressive results and suitability for fuel cell applications provided the materials prove to display long-term stability. Therefore, long-term stability studies with microstructural characterization would be needed as the carbonate-containing electrolytes may show residual porosity after sintering, which could affect gas-tightness and long-term stability.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"75 ","pages":"Article 107776"},"PeriodicalIF":6.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270318","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}
引用次数: 0
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