Applied Surface Science最新文献

{"title":"Engineering MoGe2P4 monolayers via surface substitution: A pathway to enhanced optoelectronic and thermal performance","authors":"Ghulam Hussain ,&nbsp;Rajibul Islam ,&nbsp;Muhammad Rizwan Khan ,&nbsp;Ata Ur Rahman ,&nbsp;Zheng Wang ,&nbsp;Carmine Autieri ,&nbsp;Xiaoguang Li","doi":"10.1016/j.apsusc.2025.164128","DOIUrl":"10.1016/j.apsusc.2025.164128","url":null,"abstract":"<div><div>The search for novel two-dimensional (2D) materials with tunable properties is critical for advancing next-generation optoelectronic and thermal management applications. In this study, we investigate the impact of surface substitution on the unique physical attributes of MoGe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>P<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> monolayers through phosphorus (P) replacement with nitrogen (N), resulting in a modified compound, MoGe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>P<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>. The thermodynamic stability of both MoGe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>P<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> and its N-substituted counterpart MoGe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>P<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> is confirmed through formation energy calculations, ab initio molecular dynamics (AIMD) simulations, and phonon dispersion analyses. First-principles calculations reveal that N incorporation significantly enhances the phonon frequencies, modifies the electronic structure, and lowers the effective masses of charge carriers. The charge density becomes more localized around the electronegative N atoms, which alters the dielectric response and improves the optical absorption profile. In addition, the N-substituted monolayer exhibits a higher Young’s modulus, indicating enhanced mechanical stiffness. Notably, the lattice thermal conductivity increases substantially, driven by higher phonon group velocities, suppressed phonon scattering, and stronger interatomic bonding. These results demonstrate that targeted surface substitution is an effective strategy to engineer the optoelectronic and thermal transport properties of 2D materials, offering a promising pathway for the design and synthesis of high-performance monolayers for practical device applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164128"},"PeriodicalIF":6.9,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144748116","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":"Electrical transport and resistive switching in multilayer MoS2 memory devices","authors":"Cong Zeng, Han Yan, Zhiming Deng, Tiejun Li, Changjie Zhou, Yushan Chen, Weiyi Lin, Jing Liu, Pingping Zhuang","doi":"10.1016/j.apsusc.2025.164205","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164205","url":null,"abstract":"Resistive random access memory (RRAM) emerged as a promising technology due to its high performance, scalability, and compatibility with advanced applications, especially when integrated with two-dimensional (2D) materials known for their remarkable surface smoothness and potential for large-scale manufacturing. This study investigates current conduction mechanisms in multilayer molybdenum disulfide (MoS₂)-based resistive memristors using Ag and Cu as active electrodes. Temperature-dependent electrical measurements reveal distinct conduction mechanisms in high- and low-resistance states, including Schottky emission, trap-assisted tunneling (TAT), and hopping conduction at low voltage, transitioning to trap-filled space-charge-limited conduction (SCLC) at higher bias. Ag-based devices exhibited volatile switching, while Cu-based devices displayed higher resistance and enhanced stability. These findings enhance the understanding of RS behavior in 2D-material-based RRAM and provide insights for optimizing device performance in future memory applications.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"715 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144737696","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":"Time-resolved electrical potential pump – X-ray photoelectron spectroscopy probe developments for investigating dynamic processes occurring at electrochemical interfaces","authors":"Johannes Mahl, Pinar Aydogan Gokturk, Rebecca Hamlyn, Damon English, Sefik Suzer, Jin Qian, Ethan J. Crumlin","doi":"10.1016/j.apsusc.2025.164185","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164185","url":null,"abstract":"Electrode–electrolyte interfaces are of critical importance in several fields, including renewable energy, corrosion, and environmental chemistry. However, investigating these interfaces under operational conditions poses considerable challenges due to the limitations of the instrumentation employed. While recent advancements in <em>in situ</em> and <em>operando</em> techniques have enhanced our comprehension of the steady-state properties of solid/liquid interfaces, the dynamic behaviors of these systems remain inadequately explored. This study introduces a time-resolved X-ray photoelectron spectroscopy (XPS) technique designed to capture transient reaction intermediates and charging dynamics at electrified interfaces. The presented proof-of-principle study demonstrates that electrochemical processes, represented by an equivalent electrical circuit (EEC) model, can be probed and understood using square wave voltage pulses of a potentiostat synchronized to the modified data acquisition of an XPS setup. This method offers a valuable alternative to traditional pump–probe techniques, facilitating the investigation of a broader range of electrochemical systems. A dedicated software package for analyzing time- and energy-resolved XPS with a focus on extracting parameters of the EEC is geared towards benchmarking different EECs in future real-world electrochemical experiments.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"26 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144737731","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":"Hierarchical coal/PAN blend carbon nanofibers through chemical activation for supercapacitor and CO2 adsorption","authors":"Yongfa Zhou,&nbsp;Quan Gao,&nbsp;Zhihan Wang,&nbsp;Yunxiang Xu,&nbsp;Tianxiang Hong,&nbsp;Longjiang Shu","doi":"10.1016/j.apsusc.2025.164196","DOIUrl":"10.1016/j.apsusc.2025.164196","url":null,"abstract":"<div><div>The performance of supercapacitor and CO₂ adsorption is mainly governed by the hierarchical porous structures, such as specific surface area and pore size distribution. However, it remains a significant challenge to precisely regulate the pore structures of carbon materials. In this study, the hierarchical porous carbon nanofibers (CNFs) were successfully fabricated from the coal/polyacrylonitrile (PAN) blend through electrostatic spinning combined with one-step carbonization/activation. Various activating agents-H₃PO₄, KOH and ZnCl₂-were employed for comparison. The CNF activated with 15 wt% KOH exhibited a high specific surface of 2607.01 m² g⁻¹, delivering a maximum supercapacitor capacitance of 258 F g⁻¹ at 0.5 A g⁻¹. Additionally, the CO₂ adsorption capacity reached up to 6.76 mmol g⁻¹ at 0 °C and 1 bar, which was mainly attributed to its abundant ultra-microporous. Among all activated CNFs, the KOH activation method was found to produce more adjustable and interconnected pore structures, particularly ultra-micropores features. Therefore, this strategy provided an effective approach for the high-value utilization of coal and the development of cost-effective carbon materials suitable for various applications.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164196"},"PeriodicalIF":6.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144719515","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":"Investigation into the catalytic roles of Mn-doped spherical CeO2 catalysts for CH3SH degradation at room temperature","authors":"Zhenjie Tang ,&nbsp;Yuanzhe Li ,&nbsp;Wenjie Zhu ,&nbsp;Dingkai Chen ,&nbsp;Tianhao Ai ,&nbsp;Jiangping Liu ,&nbsp;Yongming Luo","doi":"10.1016/j.apsusc.2025.164197","DOIUrl":"10.1016/j.apsusc.2025.164197","url":null,"abstract":"<div><div>Sulfur-containing volatile organic compounds (S-VOCs) are one of the significant sources of odorous pollution compounds and have led to growing concern due to their toxicity and detrimental health effects. Developing low-temperature efficient catalytic technologies for methanethiol (CH₃SH) degradation is pivotal to addressing this issue. This study doped manganese onto spherical ceria (CeO₂-S) via the isovolumetric impregnation method for catalytic CH₃SH hydrolysis. Experimental results demonstrated that the Mn (10 %)/CeO₂-S catalyst exhibited superior catalytic performance, achieving complete CH₃SH conversion under room temperature (30 ℃) and 20 % relative humidity (RH) while maintaining over 97 % conversion efficiency after 50 h of continuous operation. TEM, Raman spectroscopy, XPS, and EPR characterizations revealed that Mn incorporation significantly enhanced the concentration of surface oxygen vacancies and chemisorbed oxygen species in CeO₂-S. Furthermore, in situ DRIFTS analysis elucidated the reaction pathway: CH₃SH initially dissociates into CH₃S^-, CH₂S^-, and H⁺ intermediates on the catalyst surface. Partial CH₃S^- species dimerize to form CH₃SSCH₃, while the remaining intermediates react with surface hydroxyl groups to generate COO^–, CO₃^2–, SO₄^2-, and CO₂. These findings advance the development of room-temperature conversion technologies for transforming highly toxic pollutants into less toxic species while providing novel design strategies for metal-modified ceria-based catalysts and their performance optimization.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164197"},"PeriodicalIF":6.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144719617","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":"Cu doping in TiNbCrZrN high-entropy ceramic films: structural and mechanical optimization for enhanced resistance to hydrogen-induced brittleness","authors":"Tao Yang ,&nbsp;Yonghao Su ,&nbsp;Xin Wei ,&nbsp;Pengxiang Zhao ,&nbsp;Xinyu Liu ,&nbsp;Xin Jiang ,&nbsp;Yongxiang Leng","doi":"10.1016/j.apsusc.2025.164194","DOIUrl":"10.1016/j.apsusc.2025.164194","url":null,"abstract":"<div><div>High-entropy nitride ceramic films demonstrate exceptional wear resistance through their extreme hardness but suffer from inherent brittleness that compromises service reliability in hydrogen-rich environments. This study adopted a copper-phase toughening strategy for TiNbCrZrCuN films synthesized by high-power impulse magnetron sputtering (HiPIMS), systematically investigating the effects of Cu doping (0–9.2 at%) on the microstructural evolution and mechanical properties of the films. The optimal 2.1 at% Cu-doped film achieves a synergistic combination of solid solution strengthening and copper-mediated ductile-phase toughening, resulting in balanced mechanical performance with 18.5 GPa hardness and enhanced fracture toughness. The Cu-containing films reduces wear rate by 43 % (2.43 × 10⁻⁶ mm³/N m) compared to Cu-free counterparts through crack deflection at Cu-rich interfaces and plastic strain accommodation. Electrochemical hydrogen charging tests further reveal enhanced hydrogen embrittlement resistance of Cu-doped films, with their service life extended by 150 % due to Cu-induced partial amorphization that obstructs hydrogen diffusion pathways, enabling the film to achieve a lower hydrogen diffusion coefficient (1.3 × 10⁻⁹ cm²/s) and higher hydrogen trap density (1.4 × 10⁻³ mol/cm³) while maintaining mechanical integrity. The findings demonstrate the effectiveness of ductile-phase toughening strategy in overcoming the intrinsic brittleness limitation of ceramic nitride films, providing a viable pathway for designing wear-resistant films capable of withstanding combined mechanical stresses and hydrogen-induced degradation.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164194"},"PeriodicalIF":6.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144737733","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 electrochemical performance of Li-CO2 batteries enabled by MWCNT/Ru catalyst and NASICON-type LASTP solid electrolyte","authors":"Dan Na ,&nbsp;Dohyeon Yu ,&nbsp;Hwan Kim ,&nbsp;Yoonseob So ,&nbsp;Sangwon Noh ,&nbsp;Young-Kwon Kim ,&nbsp;Inseok Seo","doi":"10.1016/j.apsusc.2025.164189","DOIUrl":"10.1016/j.apsusc.2025.164189","url":null,"abstract":"<div><div>The use of conventional Li-CO₂ batteries (LCBs) is limited by high charge overpotentials for Li₂CO₃ decomposition, cathode passivation by these insulating products, and safety and stability risks posed by traditional liquid electrolytes. To address these limitations, this paper reports the synthesis and evaluation of a Ru-decorated multi-walled carbon nanotube (MWCNT/Ru) cathode combined with a Si-doped NASICON-type LiAlSiTi(PO₄)₃ (LASTP) solid electrolyte for enhancing the performance of LCBs. The MWCNT/Ru composite was synthesized using a wet-chemical method, producing uniformly dispersed metallic Ru nanoparticles. The LASTP electrolyte, synthesized via a solution-based method, exhibited a dense, crack-free microstructure with high ionic conductivity (1.07 × 10^–3 S/cm) and robust structural integrity and chemical stability for Li. Electrochemical evaluations confirmed exceptional battery performance, with a discharge capacity of 32,168 mAh g⁻¹ and stable cycling over 380 cycles at a high current density of 200 mA g⁻¹, highlighting the synergistic effects of the Ru catalyst and LASTP electrolyte. Post-cycling characterizations verified the integrity of the cathode surface and its overall state and confirmed the highly reversible formation and decomposition of Li₂CO₃. The proposed integrated cathode–electrolyte design effectively addresses the aforementioned challenges of traditional LCBs, offering a promising pathway toward practical, high-performance energy-storage solutions.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164189"},"PeriodicalIF":6.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144737732","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":"Facile fabrication of silicon-alginate carbon aerogels for high-capacity Li-ion anode","authors":"Hafiz Muhammad Saleem ,&nbsp;Asif Hussain Khoja ,&nbsp;Ang Li ,&nbsp;Huaihe Song","doi":"10.1016/j.apsusc.2025.164198","DOIUrl":"10.1016/j.apsusc.2025.164198","url":null,"abstract":"<div><div>Pure silicon anodes have a theoretically high capacity of 4200 mAh g⁻¹ in lithium-ion batteries, but it’s commercial use is hindered by practical challenges such as inadequate electrical conductivity and significant volume expansion. In this research, we precisely synthesized a biomass-derived porous carbon aerogel encapsulating silicon nanoparticles, which are enveloped in pitch-derived carbon (SCAPs), through systematic freeze-drying, wet ball milling, and carbonization. This method involves the uniform coating of carbon aerogels to entrap silicon nanoparticles (Si NPs), helping to enhance compatibility and addressing the problems associated with significant volume fluctuations caused by repeated cycles. By incorporating 22 % pitch in one of the compositions, the SCAPs demonstrate a reversible specific capacity of 541 mAh g⁻¹ following 1000 cycles at 1 A g⁻¹, an acceptable initial coulombic efficiency of 84 % and noteworthy high-rate capabilities of 505 mAh g⁻¹ at 2 A g⁻¹. This study presents a feasible approach for silicon-based anodes by providing a multi-stage architecture that improves the diffusion kinetics and mitigates volume expansion, leading to enhanced cyclability and rate performance in lithium-ion battery anodes with high capacity.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164198"},"PeriodicalIF":6.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144737698","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":"Highly selective ammonia detection by SnS2 nanosheets functionalized Ti3C2Tx","authors":"Lizhai Zhang ,&nbsp;Jiayuan Xu ,&nbsp;Xinyu Lei ,&nbsp;Henghui Sun ,&nbsp;Taotao Ai ,&nbsp;Fei Ma ,&nbsp;Paul K Chu","doi":"10.1016/j.apsusc.2025.164190","DOIUrl":"10.1016/j.apsusc.2025.164190","url":null,"abstract":"<div><div>SnS₂ is very promising for next-generation gas sensors due to the abundant edge-exposed sites, large surface-to-volume ratio, and high charge carrier mobility. However, SnS₂ suffers from low response and poor selectivity in gas sensing. In this paper, the self-activated SnS₂ gas sensor functionalized with Ti₃C₂T_x is designed and fabricated to monitor NH₃ at room temperature (RT) in daily life. The response of SnS₂ and Ti₃C₂T_x composites to 500 ppm NH₃ is about 86.35 % at RT, which is enhanced by 43.82 % and 38.33 % in comparison with pure SnS₂ and Ti₃C₂T_x, respectively. The SnS₂-functionalized Ti₃C₂T_x micropatterns show high selectivity to NH₃ and a low detection limit of 143 ppt. Density-functional theory (DFT) calculations reveal that the SnS₂/Ti₃C₂T_x heterojunction provide the additional active sites for NH₃ adsorption, enhancing the absorption and diffusion capabilities of NH₃. In addition, the remarkable metallic conductivity of Ti₃C₂T_x MXene ensures efficient electron transfer to improve the sensing characteristics.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164190"},"PeriodicalIF":6.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144737730","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":"Friction-induced structural transformation and lubrication mechanism of cerium oxide-decorated biodiesel soot composites as water-based additives","authors":"Chuan Li ,&nbsp;Rong Wu ,&nbsp;Qiangqiang Zhang ,&nbsp;Bo Wu ,&nbsp;Xianguo Hu ,&nbsp;Xiaoyong Xu","doi":"10.1016/j.apsusc.2025.164192","DOIUrl":"10.1016/j.apsusc.2025.164192","url":null,"abstract":"<div><div>Water-based lubricants are inherently environmentally sustainable; however, their limited load-bearing capacity poses a critical challenge. This study was devoted to exploring the application of rare earth-based lubricant additives with excellent tribological properties to improve the extreme performances of water-based lubricant. A novel water-based lubricant additive, CeO₂/A-BDS composites, was developed by combining cerium oxide particles with acidified biodiesel soot. The composite particles exhibited excellent dispersion stability in water and superior tribological properties, significantly enhancing the load-bearing capacity of water-based lubricants. Through comprehensive chemical characterizations and simulation analyses, the tribological mechanism of CeO₂/A-BDS composites under high-load conditions was elucidated. This study presents a promising strategy for the development of environmentally friendly, high-performance lubricants.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"712 ","pages":"Article 164192"},"PeriodicalIF":6.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144719613","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}