Applied Surface Science最新文献

{"title":"Electron transfer and hydrogen spillover Co-driven to enhance hydrogen evolution reaction over oxygen-deficient tungsten oxide-supported iridium clusters","authors":"Zihao Fan, Chong Gao, Guangping Lei, Huiyuan Cheng, Bo Pang, Fujun Cui, Xuemei Wu, Wanting Chen, Xiangcun Li, Gaohong He","doi":"10.1016/j.apsusc.2025.164792","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164792","url":null,"abstract":"The development of low-loading precious metal-based electrocatalysts for hydrogen evolution reaction (HER) remains a research priority and technical challenge, requiring the effective utilization of robust interfacial interactions and synergistic effects between metal clusters and corresponding supporting substrates. Herein, a highly active electrocatalyst for hydrogen evolution with iridium (Ir) clusters boosted on oxygen-deficient tungsten oxide (W₁₈O₄₉) support is proposed via a one-pot hydrothermal strategy. The 1.16 wt% Ir/W₁₈O₄₉ catalyst demonstrates a low overpotential of 33 mV at 10 mA cm⁻², along with superior Ir mass activity (13.9 A mg⁻¹) at − 50 mV versus reversible hydrogen electrode (<em>vs.</em> RHE) that surpasses Ir/C, commercial 20 wt% platinum on carbon (Pt/C), and most reported precious metal-based catalysts. Theoretical calculations reveal that the synergistic modulation of electron transfer from Ir clusters to the W₁₈O₄₉ support and the hydrogen spillover effect regulate the hydrogen adsorption and desorption, thus enhancing the HER performance.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"90 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255291","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":"Tuning thermal conductivity and electron–phonon interactions in carbon and boron nitride Moiré diamanes via twist angle manipulation","authors":"Rustam Arabov, Nikita Rybin, Victor Demin, Mikhail Polovinkin, Alexander Kvashnin, Leonid Chernozatonskii, Alexander Shapeev","doi":"10.1016/j.apsusc.2025.164801","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164801","url":null,"abstract":"We have investigated the effect of interlayer twist angle on lattice thermal conductivity (LTC) and band gap renormalization in boron nitride and carbon Moiré diamanes. Moment tensor potentials were used for calculating energies and forces of interatomic interactions. The methods based on the solution of Boltzmann transport equation (BTE) for phonons and the Green-Kubo (GK) formula were utilized to calculate LTC. The 20%–40% difference in LTC values obtained with GK and BTE-based methods showed the importance of high-order anharmonic contributions to LTC. Significant reduction (by 4.5–9 times) of the in-plane LTC with the twist angle increase caused by the growth of structural disorder was observed in the Moiré diamanes. This growth of disorder also leads to higher band gap renormalization (induced by classical nuclei motion) in the structures with higher twist angles. Significant band gap renormalization values obtained considering the quantum nuclear effects are caused by the high phonon frequencies related to the bonds with hydrogen atoms on the Moiré diamanes surfaces. Understanding of the twist angle effect on LTC and electron–phonon coupling in the Moiré diamanes provides a fundamental basis for manipulating their thermal and electronic properties, making these materials promising for thermoelectrics, microelectronics and optoelectronics.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"122 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255288","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":"In-situ engineered KBiFe2O5/BiOBr Z-scheme heterojunction photocatalyst for the pharmaceutical pollutant degradation and nitrogen fixation","authors":"Shijina Kottarathil, O.V. Abhinand, Kishore Sridharan","doi":"10.1016/j.apsusc.2025.164869","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164869","url":null,"abstract":"This study reports the rational design of a multifunctional Z-scheme heterojunction photocatalyst, KBiFe₂O₅/BiOBr (KBF-BB-I), synthesized via an in-situ hydrothermal method. Transmission electron microscopy confirmed the formation of an intimate heterojunction, with rod-like KBiFe₂O₅ uniformly anchored on plate-like BiOBr. Compared to the precipitation-derived counterpart (KBF-BB), the in-situ approach enhanced interfacial contact and band alignment, promoting efficient charge separation and interfacial transfer. Under visible light irradiation, KBF-BB-I exhibited outstanding photocatalytic activity, achieving 97 % degradation of tetracycline (TC) and 90 % of paracetamol (PCM) within 60 min, both individually and in binary mixtures. This is the first report on integration of KBiFe₂O₅ with BiOBr for pharmaceutical pollutant degradation and nitrogen fixation. The composite also demonstrated nitrogen fixation, producing 6 mmol L⁻¹g⁻¹ of ammonia after 240 min. Photoluminescence and Mott-Schottky analyses confirmed suppressed electron-hole recombination and favourable band alignment, supporting a direct Z-scheme mechanism. Radical trapping experiments verified the generation of key reactive oxygen species (^•O₂^–, ^•OH). The catalyst showed excellent stability and reusability. The enhanced performance arises from the synergistic effects of interfacial engineering, high surface area, and efficient charge migration, positioning KBF-BB-I as a promising photocatalyst for environmental remediation.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"86 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260720","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 substrate surface roughness on the adhesion behavior of mica nanolayers","authors":"","doi":"10.1016/j.apsusc.2025.164832","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164832","url":null,"abstract":"We investigate the adhesion behavior of mica nanolayers (MNLs) on oxygen plasma-etched Si substrates using an optical-microscope nanomanipulation brid…","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"19 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255209","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":"Two-dimensional NbMCO2 (M = Ge, Sn, Sb and Bi) monolayers as a novel anode material for sodium-ion batteries by simulation insight","authors":"Lingxia Li, Wenbo Zhang, Junchen Li, Maocheng Liu, Junqiang Ren, Xuefeng Lu","doi":"10.1016/j.apsusc.2025.164862","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164862","url":null,"abstract":"The development of novel anode materials is of paramount importance for next-generation rechargeable metal-ion batteries. In this contribution, the potential of Nb₂CO₂ and NbMCO₂ (M = Ge, Sn, Sb and Bi) monolayers as electrode materials for sodium-ion batteries is investigated upon the basis of first-principles within the framework of density functional theory. The five monolayers exhibit cohesive energies of 1.922, 0.935, 0.983, 0.910, and 1.051 eV/atom, suggesting that they are all energetically stable. Simultaneously, ELF analysis combined with AIMD simulations further confirmed that the five monolayers are structurally stable. It is found that except for the Sb-C terminal, the adsorption energy of other structures at each terminal T_C site is more stable than that at other sites. Upon adsorption of Na atoms, the characteristics are modified from semiconductors to metallic, denoting a significant enhancement of the electrical conductivity. Notably, the most favorable diffusion barriers for NbGeCO₂, NbSnCO₂, NbSbCO₂ and NbBiCO₂ monolayers at the M–C (Nb–C) termination are 0.376 eV (2.210 eV), 0.269 eV (0.443 eV), 0.518 eV (0.463 eV) and 0.246 eV (0.483 eV), respectively. Interestingly, the M–C terminals in the NbSnCO₂ and NbBiCO₂ monolayers have relatively lower migration barriers than the Nb₂CO₂ surfaces, implying that the incorporation of Sn and Bi makes the migration more favorable and helps to promote fast charge/discharge capability. These results demonstrate that the NbMCO₂ monolayers can provide potential applications as an anode material for sodium-ion batteries.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"50 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255293","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":"Immobilizing Pd nanoparticles on an energetic metal–organic farmwork MET-6-derived porous nitrogen-doped carbon nanocages for enhanced formic acid dehydrogenation","authors":"Xinyue Yang, Jinsong Hu, Xu Chen, Zhentao Liu, Zhicheng Nie, Chunhui Zhou, Xilong Wang","doi":"10.1016/j.apsusc.2025.164808","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164808","url":null,"abstract":"It is essential yet challenging to assemble the heterogeneous catalysts with satisfactory activity and recyclability for formic acid (HCOOH, FA) dehydrogenation to employ FA as a valid hydrogen (H₂) carrier. In this research, through pyrolysis of an energetic metal–organic framework (MOF) MET-6 at different calcination temperature, various porous nitrogen-doped carbon nanocages (PNCNCs-x, x represents different temperatures of calcination with the unit of °C, and the value could be 700, 800, 900 or 1000 in this study) supports were obtained accordingly. Followed by a simple wet chemical reduction method, Pd nanoparticles (NPs) anchored on PNCNCs-x supports were prepared successfully, and the resultant catalysts Pd@PNCNCs-x could be applied in the H₂ generation by FA dehydrogenation. The optimal catalyst Pd@PNCNCs-900 demonstrated exceptional catalytic activity over FA dehydrogenation, the catalyst yields an initial turnover frequency (TOF) value TOF of 3253 h⁻¹ in the FA/SF system (1:2) at 60 °C. The catalyst achieves complete FA conversion and 100 % H₂ selectivity, outperforming other reference catalysts Pd@PNCNCs-x (x = 700, 800, and 1000) with different temperatures of the pyrolysis of MET and most MOF-derived carbon supported monometallic Pd catalysts. Moreover, optimized catalyst Pd@PNCNCs-900 maintained its excellent recyclability over five consecutive reaction runs, displaying a slight decline in catalytic activity. In addition, the activation energy (<em>E</em>_a) of the optimized catalyst Pd@PNCNCs-900 for the FA dehydrogenation could be calculated at 45.97 kJ/mol, lower than most reported MOF-derived carbon supported monometallic Pd systems. The outstanding catalytic performance of Pd@PNCNCs-900 could be ascribed to the highly dispersed Pd NPs with ultrasmall size (2.0 nm) as the catalytic active centers, the metal-support interaction (MSI) effect between the introduced NPs and PNCNCs-900 support, and the modulated N sites in the PNCNCs-900 support as the basic sites for the promotion of the cleavage of O–H bonds of FA molecules. This study provides a novel approach for constructing high-performance Pd-based catalysts for FA dehydrogenation using N-containing energetic MOF-derived carbon materials as the supports.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"19 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255295","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":"Regulating carrier transport in dual Z-scheme heterojunction KNbO3/MoSe2/Zn2In2S5 by dual piezoelectric polarization electric field","authors":"Zhenfei Fu, Wenmei Ma, Shiwen Du, Shilong Suo, Yuanyuan Li, Ziwu Han, Yumin Wang, Jiapeng Fang, Hu Xu, Pengfei Fang","doi":"10.1016/j.apsusc.2025.164826","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164826","url":null,"abstract":"Reasonable design of heterojunction is a rational way to boost charge separation and piezo-photocatalytic performance of semiconductors. Herein, a dual Z-scheme KNbO₃/MoSe₂/Zn₂In₂S₅ (KMZIS) heterojunction was synthesized, in which KNbO₃ and MoSe₂ provide piezoelectricity, and Zn₂In₂S₅ offers photoactivity. UV–Vis DRS, Mott–Schottky plots, and DFT calculations confirmed the existence of two co-directional built-in electric fields, which respectively enhanced the accumulation of photogenerated electrons and holes on the conduction band of Zn₂In₂S₅ and the valence band of KNbO₃, respectively, enabling the heterojunction to exhibit stronger redox capabilities under illumination. Under mechanical vibration, the maximum piezoelectric current density of KMZIS-25 can reach up to 26.7 µA /cm², which is 1.7 and 2.6 times higher than that of KNbO₃/MoSe₂ and MoSe₂/Zn₂In₂S₅, respectively. Under the synergistic piezoelectric–photoelectric coupling effect, KMZIS-25 exhibits a TCH degradation rate constant of 60.53 × 10^-2 min⁻¹, a H₂O₂ yield of 64.70 mmol·h⁻¹·g⁻¹, and a H₂ evolution rate of 37.12 mmol·h⁻¹·g⁻¹, which are 4.6, 4.4, and 4.1 times higher than photocatalysis alone, and 3.8, 3.1, and 2.7 times higher than piezocatalysis alone. This indicates that the bi-piezoelectric field synergistically accelerates charge transfer in KMZIS, thereby significantly improving the catalytic performance of heterojunction.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"36 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255213","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":"Direct upcycling of spent lithium-ion battery cathodes to efficient water oxidation catalysts","authors":"Yuheng Guo, Min Yue, Chao Wu","doi":"10.1016/j.apsusc.2025.164867","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164867","url":null,"abstract":"Addressing the dual challenges of sustainable energy conversion and battery waste management, this work develops a mechanochemistry-assisted strategy to upcycle spent lithium-ion battery cathodes. The approach directly converts them into highly efficient oxygen evolution reaction (OER) catalysts. Through controlled reconstruction, the cathode material becomes a defect-rich transition metal hydroxide phase with abundant charge transfer states. The resulting catalyst shows excellent OER performance, which achieves a low overpotential of 253 mV at 10 mA cm⁻²_geo and maintains high stability in alkaline media. In situ Raman and X-ray absorption spectroscopy reveal that the high activity comes from dynamically formed NiOOH species during operation condition. Meanwhile, the stable Co/Mn coordination and inherent defects ensure long-term durability. Compared with conventional Ni(OH)₂, the restructured catalyst exhibits better structural integrity under prolonged operation. This study presents a novel strategy for battery reclamation and the design of cost-effective, high-performance electrocatalysts for water splitting.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"139 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255285","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":"Electronic structure modulation of p-n type CeO2/Eu-CN heterojunction system: efficient promotion of photocatalytic degradation of tetracycline","authors":"Morigejile Liu, Xiang Fu, Jianwei Zhao, Siqin Zhao, Ying Shi, Wen Dusu","doi":"10.1016/j.apsusc.2025.164757","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164757","url":null,"abstract":"Antibiotic pollution seriously damages the ecological balance of the water environment. Efficient degradation of excessive antibiotics in water is worth further exploration. Photocatalytic antibiotic degradation not only makes full use of solar energy, but also exhibits high degradation efficiency and no by-product generation. In this paper, a novel <em>y</em>CeO₂/5Eu-CN photocatalyst with a <em>p</em>-<em>n</em> heterojunction was successfully synthesized by solid-phase methodology, which can effectively photodegrade the antibiotic tetracycline under visible light. Firstly, rare earth Eu ions were doped into the layered g-C₃N₄ prepared by melamine calcination, and then combined with CeO₂ to obtain the effective composite photocatalyst 0.3CeO₂/5Eu-CN. Catalytic exploration indicates that it can effectively photodegrade tetracycline antibiotics with a degradation of 94.0 %, and is recycled three times without loss of photoactivity. Control experiments show 5Eu-CN photocatalyst possesses abundant hole states with a certain width and DOS distribution of VBM through the hybridization of N 2p and Eu 3d, which not only provides more active sites but also exhibits a unique very narrow energy band structure, showing <em>p</em>-type semiconductor characteristics. In addition, 5Eu-CN photocatalyst composites with the <em>n</em>-type semiconductor CeO₂ to form the <em>p</em>-<em>n</em> heterojunction 0.3CeO₂/5Eu-CN. The composite structure efficiently promoted the separation and migration of photogenerated carriers by utilizing the different energy bands of the two semiconductors, significantly suppressing electron-hole pair complexation and enhancing the photocatalytic efficiency. Theoretical calculation also reveals the charge transfer and interaction at the <em>p</em>-<em>n</em> heterojunction interface. This work has achieved innovation in the entire chain of “material design structure – optimization − mechanism elucidation”, providing clearer ideas and theoretical basis for the design of high-performance <em>p-n</em> heterojunction photocatalysts.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"31 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255289","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":"Corrigendum to “Cotton fabrics with antibacterial and antiviral properties produced by a simple pad-dry-cure process using diphenolic acid”. [Appl. Surf. Sci. 600 (2022) 154152]","authors":"Liwen Shen, Jingjing Jiang, Jun Liu, Feiya Fu, Hongyan Diao, Xiangdong Liu","doi":"10.1016/j.apsusc.2025.164859","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164859","url":null,"abstract":"The authors regret &lt; The images for the Fig. 5b (Co-DPA 0.6 %, Co-DPA 0.8 % and Co-DPA1.0 % against <em>S. aureus</em>) were inadvertently misused. This error occurred during the figure preparation process and was not detected prior to publication. The correct Fig. 5 is this:<span><figure><span><img alt=\"\" height=\"436\" src=\"https://ars.els-cdn.com/content/image/1-s2.0-S0169433225025759-fx1.jpg\"/><ol><li><span><span>Download: <span>Download high-res image (430KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"114 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260721","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}