Applied Surface Science最新文献

{"title":"Utilizing size effect to enhance the corrosion inhibition performance of carboxylic acids for Cu CMP","authors":"Yuang Kuang, Pengfei Chang, Tao Hang, Ming Li, Anmin Hu","doi":"10.1016/j.apsusc.2025.164609","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164609","url":null,"abstract":"Organic small molecules containing oxygen, nitrogen, and sulphur heteroatoms with lone pairs of electrons have been widely used as highly effective inhibitors in copper chemical mechanical polishing (CMP). These molecules adsorb onto metal surfaces through electronic effect. Besides, size effect also has a significant impact on inhibitor performance, but there has been limited research on this aspect. In this work, five carboxylic acid molecules with varying chain lengths were compared to investigate impact of size effect on the corrosion inhibition performance of carboxylic acid molecules. As the carbon chain length increased, a transition from corrosive to anti-corrosion substances was observed. Dodecanoic acid (DA) demonstrated the best anti-corrosion property, with an inhibition efficiency of up to 90.39 % when added 20 mM. A smooth surface was attained after the CMP process. The adsorption energies calculated using density functional theory (DFT) showed no significant differences, suggesting that electronic effect did not contribute to the variation in corrosion inhibition performance. Molecular dynamics (MD) simulation demonstrated that the high corrosion inhibition efficiency of DA was attributed to the size effect, which prevented corrosive substances from approaching the copper substrate. This study systematically investigates the impact of size effect on anti-corrosion performance in CMP slurry.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"15 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145056954","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":"Porosity-property relationships in Siloxane-based low dielectric constant materials: From atomic visualization to performance prediction","authors":"Chaoyue Ji, Xintian Cai, Yang Zhang, Qijun Wang, Zeyuan Li, Yuzheng Guo, Zhaofu Zhang, Sheng Liu","doi":"10.1016/j.apsusc.2025.164582","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164582","url":null,"abstract":"Siloxane-based low dielectric constant material SiCOH is used as interlayer dielectric material in advanced integrated circuits, and introducing holes becomes an effective strategy to reduce capacitance. The porosity dependence of the properties of low-<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi is=\"true\">κ</mi></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"1.394ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -498.8 576.5 600.2\" width=\"1.339ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><use xlink:href=\"#MJMATHI-3BA\"></use></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi is=\"true\">κ</mi></math></span></span><script type=\"math/mml\"><math><mi is=\"true\">κ</mi></math></script></span> SiCOH is analyzed by molecular simulation. This paper aims to analyze the porosity-dependent performance of low-<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi is=\"true\">κ</mi></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"1.394ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -498.8 576.5 600.2\" width=\"1.339ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><use xlink:href=\"#MJMATHI-3BA\"></use></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi is=\"true\">κ</mi></math></span></span><script type=\"math/mml\"><math><mi is=\"true\">κ</mi></math></script></span> SiCOH by molecular simulation. A molecular model of low-<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi is=\"true\">κ</mi></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"1.394ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -498.8 576.5 600.2\" width=\"1.339ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><use xlink:href=\"#MJMATHI-3BA\"></use></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi is=\"true\">κ</mi></math></span></span><script type=\"math/mml\"><math><mi is=\"true\">κ</mi></math></script></span> SiCOH without defining the initial topology is constructed based on the ReaxFF potential function and melt-quenching method. By visualizing the distribution and evolution of","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"36 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145056944","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":"Bioinspired surface engineering of multifunctional tea polyphenols towards ambient fabrication of Cu@Ni nanowire flexible transparent conductive films","authors":"Qing Liu, Yuling Shi, Qianqian Pan, Danlong Yang, Yangeng Lan, Zhuo Chen, Tao Wang","doi":"10.1016/j.apsusc.2025.164600","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164600","url":null,"abstract":"Developing low-cost, oxidation-resistant transparent conductive films (TCFs) remains a critical challenge for advanced optoelectronic devices. Although nickel-coated copper nanowires (Cu@Ni NWs) exhibit better antioxidant properties than pure copper nanowires, their practical implementation is hindered by the poor dispersibility and reliance on high-temperature sintering. This work introduces a bio-inspired green interfacial engineering approach that constructs a uniform tea polyphenol (TP) shell on Cu@Ni NWs, simultaneously addressing dispersion challenges and sintering demands. The sequential “Pickling + TP” treatment removes oleylamine ligand from Cu@Ni NWs surface, enabling TP self-assembly into a core–shell configuration through physical adsorption. This method not only enhances the dispersibility of Cu@Ni NWs significantly, but also leverages TP’s hydrophilicity, reducibility and affinity to achieve sintering-free capillary welding, reduced metal–oxygen bonding, and high coating adhesion, respectively. The resulting TCFs demonstrate the advantage of comprehensive performance with the conductivity (162.6 Ω sq⁻¹), transmittance (83.6 %), adhesion (5B), mechanical flexibility (>1200 bending cycles) and oxidation resistance (>300 days), possessing reliable capacitive sensing functionality. This surface engineering approach is expected to establish a new route for manufacturing of stable metal nanowire-based transparent flexible electrodes.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"25 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145043061","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":"Defect-induced synergistic engineering of hierarchical heterostructures for microwave absorption","authors":"Baoyue Zhang, Ruixue Wang, Fan Wan, Baijie Cheng, Xueying Wu, Peipei Xu, Xiaoyun Liu, Hongyao Xu, Shanyi Guang","doi":"10.1016/j.apsusc.2025.164606","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164606","url":null,"abstract":"Defect engineering modulates polarization loss by controlling common defects, including oxygen vacancies, impurity atom doping, and lattice defects, thereby improving the electromagnetic wave (EMW) absorption capability. Here, we designed a cobalt–nickel/hollow-Fe₃O₄ (H-Fe₃O₄@CoNi) dual magnetic layer structure coated with nitrogen-doped carbon via a combined hydrothermal and pyrolysis. The dual magnetic architecture not only promotes magnetic loss but also introduces numerous heterogeneous interfaces. Simultaneously, nitrogen doping facilitates defect-induced dipole polarization, synergistically enhancing dielectric loss and impedance matching. By tuning the pyrolysis temperature, the electromagnetic parameters and EMW absorption performance of the composites were effectively optimized. The H-Fe₃O₄@CoNi@C-N-800 exhibited the best performance, with an effective absorption bandwidth (EAB) of 5.1 GHz and a minimum reflection loss (RL_min) of −55.6 dB. Density functional theory (DFT) calculations confirmed that electronic redistribution and charge transfer occurred at the N-doped carbon/Fe₃O₄–CoNi interface, validating that the enhanced dielectric loss stems from both dipole and interfacial polarization. Furthermore, CST simulation shows that the maximum radar cross section (RCS) value of H-Fe₃O₄@CoNi@C-N-800 can be reduced by 15.64 dB m². These results suggest that this composite is a promising high-performance EMW absorbing material.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"19 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145056907","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":"Axial ligand engineering: a strategy for promoting oxygen reduction activity of MN4 single-atom catalysts","authors":"Ya-Min Wang, Bo-Yang Luo, Yu-Mei Yang, Chen Li, Guang-Jie Xia","doi":"10.1016/j.apsusc.2025.164605","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164605","url":null,"abstract":"Recently, the axial-ligand coordination was found to promote Metal-nitrogen-carbon (M−N−C) single-atom catalysts (SACs) in oxygen reduction reaction (ORR), but the mechanism still remains underexplored. Here, we employ density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations to unravel the role of axial ligands in octahedral-coordinated MN₄/X-C SACs (M = Sc–Zn; X = –OCH₃, –NH₂, –CN, –Cl). The axial ligand coordination in most cases promotes not only the stability but also the activity of M−N−C catalysts, where nine of MN₄/X-C SACs exhibit better limiting potentials than the Pt (111) surface. Among different metals, this promotion effect is especially outstanding for Fe-N-C SAC, solving the over-strong Fe-O binding of the OH intermediate on the pristine FeN₄/C. The axial ligands will compete against OH for coordinating with Fe <em>d</em>_z2 orbitals. The more proper adsorption free energy of OH moves the FeN₄/X-C SACs approaching the apex in volcano plot, <em>i.e.</em>, the higher ORR activity. In addition, the AIMD simulations in aqueous phase validate the accelerated OH hydrogenation for FeN₄-Cl/C compared with the pristine FeN₄/C, in agreement with the previous experiment. These theoretical results open a new technique to promote ORR activities of M−N−C SACs by axial ligand engineering.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"41 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145056948","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":"Enhanced g-C3N4 photocatalysis by high pressure and high temperature treatment: Structural and mechanistic insights","authors":"Qing Zhang, Yue Yin, Yanan Qi, Ye Wu, Martin T. Dove, Lei Tan, Haijun Huang","doi":"10.1016/j.apsusc.2025.164575","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164575","url":null,"abstract":"Graphitic carbon nitride (g-C&lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"&gt;&lt;svg focusable=\"false\" height=\"1.509ex\" role=\"img\" style=\"vertical-align: -0.582ex;\" viewbox=\"0 -399.4 453.9 649.8\" width=\"1.054ex\" 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;/g&gt;&lt;g is=\"true\" transform=\"translate(0,-150)\"&gt;&lt;g is=\"true\"&gt;&lt;use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-33\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/script&gt;&lt;/span&gt;N&lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"&gt;&lt;svg focusable=\"false\" height=\"1.509ex\" role=\"img\" style=\"vertical-align: -0.582ex;\" viewbox=\"0 -399.4 453.9 649.8\" width=\"1.054ex\" 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;/g&gt;&lt;g is=\"true\" transform=\"translate(0,-150)\"&gt;&lt;g is=\"true\"&gt;&lt;use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-34\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/script&gt;&lt;/span&gt;) is a promising photocatalyst for environmental remediation and energy conversion. In this work, we systematically explored the effects of high pressure and high temperature (HPHT) treatments on the structural and photocatalytic properties of g-C&lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"&gt;&lt;svg focusable=\"false\" height=\"1.509ex\" role=\"img\" style=\"vertical-align: -0.582ex;\" viewbox=\"0 -399.4 453.9 649.8\" width=\"1.054ex\" 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;/g&gt;&lt;g is=\"true\" transform=\"translate(0,-150)\"&gt;&lt;g is=\"true\"&gt;&lt;use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-33\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/script&gt;&lt;/span&gt;N&lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"&gt;&lt;svg focusable=\"false\" height=\"1.509ex\" role=\"img\" style=\"vertical-align: -0.582ex;\" viewbox=\"0 -399.4 453.9 649.8\" width=\"1.054ex\" 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;/g&gt;&lt;g is=\"true\" transform=\"translate(0,-150)\"&gt;&lt;g is=\"true\"&gt;&lt;use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-34\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/script&gt;&lt;/spa","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"43 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145043053","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":"A study of structural variations during graphitization of β-sheets protein in silk (Bombyx mori) under hot-press","authors":"Shubhanth Jain, Malavika Shaji, V. Vedavyas, Animesh Das, Govindaraj Achutharao","doi":"10.1016/j.apsusc.2025.164530","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164530","url":null,"abstract":"This study investigates the influence of high-temperature hot pressing on the pyrolysis and graphitization of silk fibroin, a natural protein derived from <em>Bombyx mori</em>. Degummed silk samples were subjected to controlled hot pressing, and the resulting structural and chemical changes were comprehensively analyzed. Notably, the formation of graphitic layers (4–5 layers) was observed at 1000 °C—a transformation that typically requires temperatures above 1600 °C under ambient pressure. Powder X-ray diffraction (PXRD) and transmission electron microscopy (TEM) confirmed the development of graphitic domains and the presence of calcium carbonate (CaCO₃), indicating calcium retention during pyrolysis. X-ray photoelectron spectroscopy (XPS) was used to monitor the evolution of carbon (C1s) and nitrogen (N1s) functional groups with temperature. X-ray Auger Electron Spectroscopy (XAES) was employed to extract the D-parameter, a sensitive measure of the sp²/sp³ carbon ratio and local electronic structure. In carbon-rich materials such as graphene, polymers, and biopolymers like silk, the D-parameter exhibits a linear relationship with bonding configuration, typically falling between diamond (sp³-rich) and graphene (sp²-rich). In this work, pressure and temperature effects pushed the D-parameter to values approaching—or exceeding—those of graphite, even at relatively low sp² carbon content. This behavior suggests enhanced electronic delocalization and <span><span style=\"\"></span><span data-mathml='&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;mi is=\"true\"&gt;&amp;#x3C0;&lt;/mi&gt;&lt;/math&gt;' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"1.394ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -498.8 573.5 600.2\" width=\"1.332ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><use xlink:href=\"#MJMATHI-3C0\"></use></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi is=\"true\">π</mi></math></span></span><script type=\"math/mml\"><math><mi is=\"true\">π</mi></math></script></span>-bond conjugation induced by high-pressure conditions. The findings provide insight into pressure-assisted graphitization mechanisms and offer a low-temperature route for tailoring advanced carbon architectures from sustainable biopolymer sources.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"67 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145043057","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":"Surface properties and mechanism analysis of polyimide films treated by atmospheric pressure plasma","authors":"Shuang Yang,&nbsp;Jing Wang,&nbsp;Yiming Gao,&nbsp;Rong Ren,&nbsp;Xuhai Xiong","doi":"10.1016/j.apsusc.2025.164608","DOIUrl":"10.1016/j.apsusc.2025.164608","url":null,"abstract":"<div><div>This paper investigates the effect of atmospheric pressure plasma treatment speed on the surface properties of polyimide (PI) thin films and reflects the plasma modification mechanism through DFT calculations. Through experiments, the effects of treatment speed on surface chemical composition, morphology, wettability, and mechanical properties were analyzed in detail. The results show that as the treatment speed decreases, the content of oxygen elements and oxygen-containing functional groups on the film surface first increases and then decreases, reaching a peak at 6 mm/s. At the same time, the surface free energy increases significantly, and wettability is improved. Surface roughness increases as speed decreases, but excessive machining may result in a decline in mechanical properties. The tensile test results show that after being treated at a speed of 6 mm/s, the tensile strength of the film reached 259.2 MPa, and the elongation at break was 25.02 %. Based on Materials Studio (MS) software and density functional theory (DFT) calculations, the chemical bond dissociation energy of PI molecules was analyzed, and the reactivity order of polar functional groups (−C=O, –OH, –COOH) was determined, thereby revealing the reaction mechanism of the plasma treatment process.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"715 ","pages":"Article 164608"},"PeriodicalIF":6.9,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145043303","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":"Unraveling the defect-induced resistance mechanism of MoS2 memristors at the atomic scale","authors":"Yifan Zhang, Shengbo Sang, Yang Ge, Xiaojie Chai, Yan Liu","doi":"10.1016/j.apsusc.2025.164614","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164614","url":null,"abstract":"MoS₂-based memristors are promising candidates for non-volatile memory and neuromorphic computing. Although the memristive behavior is routinely attributed to defects present in the system, the underlying switching mechanism remains unclear. In this work, the non-volatile resistive switching process of a MoS₂ based memristor is investigated using first principles calculations. The results reveal that the intrinsic sulfur vacancies, which are the dominant defects in MoS₂, appear to be insufficient in changing the conductive properties of MoS₂. Although the energy barrier of metal atoms penetrating the MoS₂ has reduced because of the sulfur vacancies, metallic atoms can’t form fully bridged conductive filaments through monolayer MoS₂ because of the high energy barrier. Instead, with the assistance of sulfur vacancies, metallic atoms interact with monolayer MoS₂ to form semi-filamentary conductive paths. Furthermore, the transport characteristics of Metal/MoS₂/Metal memristors under different resistive switching states are investigated using the non-equilibrium Green’s function formalism. The results demonstrate that the double sulfur defect has a more significant impact on the conductive filament. Moreover, the metal electrodes with lower migration barriers in defective MoS₂ contribute to an enhanced the ON-state current of the memristor. This work will be a reference for memristor-device design or optimization.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"15 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145043301","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":"Constructing high-performance Cu/Ce catalyst with a high density of Cu+ and high-mobility lattice oxygen via defect-rich spherical CeO2 for CO-PROX","authors":"Jian Fang, Hao Wang, Yiru Liu, Jialin Liu, Chuanyun Qin, Shimin Ma, Jichang Lu, Xiaohua Cao, Zhizhi Xu, Shuquan Huang, Yongming Luo","doi":"10.1016/j.apsusc.2025.164610","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164610","url":null,"abstract":"Maintaining high catalytic performance at PEMFC operation temperature (&lt;100 °C) as well as a wider temperature window for CO preferential oxidation (CO-PROX) remains challenging due to the complexity of heterogeneous active sites and reaction mechanisms, as well as the lack of high-performance materials. Here, we developed a high-density Cu⁺-based catalyst utilizing defect- and hydroxyl-rich spherical CeO₂, achieving close 100 % CO conversion over a wider-temperature window (86-160°C) for CO-PROX. A series of advanced characterizations, including in situ DIRFTS, elucidate that a high density of Cu⁺ species and highly mobile lattice oxygen are confined and stabilized by CeO₂ bulk lattice vacancies, forming an interfacial Cu⁺-O-Ce³⁺ structure that governs the low-temperature activity. Concurrently, the highly stable Cu⁺ species and an additional hydroxyl-mediated reaction pathway contribute to the excellent performance at elevated temperatures. This work provides a straightforward and effective strategy for the design of highly active metal-oxide catalysts applicable to CO-PROX and various other catalytic oxidation reactions.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"14 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145043305","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}