{"title":"The mechanism of interactions between H2 and CH4 dissociative adsorption on the surface of pipeline steel","authors":"Yulin Song, Cailin Wang, Cuiwei Liu, Xiusai Xu, Xiusong Huang, Yuxing Li","doi":"10.1016/j.apsusc.2025.162967","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162967","url":null,"abstract":"The utilization of repurposing natural gas pipeline steels for hydrogen transportation requires consideration of the risk of hydrogen embrittlement (HE). The occurrence of HE begins with the initial process of hydrogen dissociative adsorption. However, due to the complicated gaseous environment, the interactions between CH<sub>4</sub> and H<sub>2</sub> adsorption on pipeline surfaces continue to be controversial. In this study, the influence of CH<sub>4</sub> on H<sub>2</sub> surface adsorption was demonstrated by the in-situ hydrogen permeation test on 20# steel. Based on Electron Backscatter Diffraction results, the interactions of H<sub>2</sub> and CH<sub>4</sub> adsorption on Fe(100) and high-angle grain boundary (HAGB) surfaces were calculated by DFT methods. The results determine the possibility of CH<sub>4</sub> dissociative adsorption on the pipeline surface and reveal that H<sub>2</sub> promotes the dissociative adsorption of CH<sub>4</sub> on HAGBs, whereas CH<sub>4</sub> inhibits the dissociative adsorption of H<sub>2</sub>. Moreover, the inhibitory effect of CH<sub>4</sub> on the dissociative adsorption of H<sub>2</sub> is positively correlated with the adsorption time of CH<sub>4</sub> on the surface. The mechanism of interactions between CH<sub>4</sub> and H<sub>2</sub> was clarified that CH<sub>4</sub> increases the energy barrier of dissociative adsorption of H<sub>2</sub>. In turn, the pre-adsorbed H<sub>2</sub> can change the charge of HAGB surface, increasing the electrons available for CH<sub>4</sub> dissociative adsorption.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"21 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666186","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":"Hierarchically periodic macroporous ZnS-ZnO alternating heterojunctions with a double Z-scheme for enhanced hydrogen evolution","authors":"Ling Zhou, Yuan Liu, Shaoqiang You, Linsen Peng, Rongbin Zhang, Junchao Wei, Xuewen Wang","doi":"10.1016/j.apsusc.2025.163034","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163034","url":null,"abstract":"Heterostructure construction, particularly concerning optimal band arrangement and efficient charge separation characteristics, is a critical factor influencing photocatalytic performance. In this study, the preparation of hierarchically periodic macroporous (HPM) architecture by pyrolytic restructuring of ZnS is demonstrated, thereby yielding a series of heterojunctions composed alternately of ZnS and ZnO. The HPM architecture effectively shortens the carrier transport distance and elevates the charge transport efficiency. The alternating bridge connections of ZnS and ZnO constrained by the HPM architecture, facilitate the presence of quantum wells under the double Z-scheme mechanism. The effective separation of photogenerated carriers is enabled by this configuration, and their recombination rates are reduced, and the redox capacity of the heterojunctions is enhanced. Through synergistic influences of quantum wells and HPM architectures, the HPM ZnS-ZnO heterojunctions showcase remarkable photocatalytic hydrogen evolution performance. This work demonstrates that quantum wells represent a powerful strategy for energy band engineering, when combined synergistically with HPM nanoarchitectures, they can significantly enhance photocatalytic performance.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"18 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666187","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}
N.S. Leel, M. Kiran, P.A. Alvi, B. Dalela, Shalendra Kumar, A. Sharma, N. Jakhar, S. Dalela
{"title":"Supercapacitor performance, electronic structure and ferromagnetic properties of TM and RE cations of co-doped (Fe, Yb) CeO2 nanoparticles","authors":"N.S. Leel, M. Kiran, P.A. Alvi, B. Dalela, Shalendra Kumar, A. Sharma, N. Jakhar, S. Dalela","doi":"10.1016/j.apsusc.2025.162934","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162934","url":null,"abstract":"The undoped CeO<sub>2</sub> and Ce<sub>1-x-y</sub>Yb<sub>x</sub>Fe<sub>y</sub>O<sub>2</sub> nanoparticles (NPs) while maintaining a consistent doping concentration of both cations. The effects of Yb-Fe co-doping on the overall structural, optical, electrical, and magnetic characteristics of CeO<sub>2</sub> NPs. The findings of XRD patterns demonstrated the FCC structure of CeO<sub>2</sub> with improved crystallinity. By using EDX analysis, the elemental and compositional features were addressed and absorption spectra revealed red shifting. The luminescence emissions were identified as warm yellow light with CCT below 4000 K for indoor applications. The XPS observations for the core levels Ce 3d, O 1s, Yb 4d, and Fe 2p revealed the valence states of Ce with 3+ and 4+, Yb, Fe with 3+, O with 2- and the formation of oxygen vacancies. The weak ferromagnetic behaviour of the samples was attributed to the mechanisms of bound magnetic polarons and the formation of complexes promoting F<sup>+</sup> centers. At a scan rate of 5 mV/s in 2 M KOH electrolyte solution, the Ce<sub>0.91</sub>Y<sub>0.03</sub>F<sub>0.06</sub>O<sub>2</sub> sample demonstrated the highest supercapacitance of 89.66F/g, indicating the best cycle stability 109.27 % after 1000 cycles. The power density and energy density of this sample were determined to be 730 W/kg and 2.80 Wh/kg, respectively.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"45 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143665904","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":"Adhesion of ferroelectric CuInP2S6 on various substrates measured by a blister test","authors":"Herui Liu, Tingjun Wang, Yichong Chen, Wenchen Zhu, Zuolong Jia, Jiawang Hong, Yuanyuan Cui, Xueyun Wang","doi":"10.1016/j.apsusc.2025.162969","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162969","url":null,"abstract":"Van der Waals (vdW) ferroelectrics, characterized by the weak interlayer interaction and switchable polarization, effectively bypass the challenge of dangling bonds that are typically found on the surfaces of conventional perovskite ferroelectric. As a result, these materials are well-compatible for the integration into microelectronic devices for a range of substrates. Nonetheless, the adhesion energy between the vdW ferroelectric and various substrates determines the interfacial mechanical properties and operational stability. Consequently, accurately quantifying the adhesion energy of vdW ferroelectrics on various substrates is a crucial step in achieving reliable two-dimensional electronic devices. Herein, we utilized the blister test to evaluate the adhesion energy of a cutting edge vdW ferroelectric CuInP<sub>2</sub>S<sub>6</sub> (CIPS) on Au, Ti, Cr, and SiO<sub>2</sub> substrates, which were found to be 139 mJ/m<sup>2</sup>, 126 mJ/m<sup>2</sup>, 54 mJ/m<sup>2</sup>, and 71 mJ/m<sup>2</sup>, respectively. Additionally, loading/unloading cycle test under a strain of 0.6 % has been performed on CIPS/Metal/PET devices, the result suggests higher adhesion energy gives rise to more stable device performance in the presence of bending deformation.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"92 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143665905","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}
Xin Liang, Laishi Li, Yusheng Wu, Feng Liu, Yuzheng Wang
{"title":"Enhancement of CuS/Fe3O4@MIL-100(Fe) ternary composite by co-catalyst CuS for photo-Fenton degradation of oxytetracycline hydrochloride","authors":"Xin Liang, Laishi Li, Yusheng Wu, Feng Liu, Yuzheng Wang","doi":"10.1016/j.apsusc.2025.163029","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163029","url":null,"abstract":"The efficiency of Fenton-like catalysts was critically affected by the rapid transfer of Fe<sup>2+</sup>/Fe<sup>3+</sup>, a process that was essential for the formation of active free radicals by H<sub>2</sub>O<sub>2</sub>. Herein, we synthesized CuS/Fe<sub>3</sub>O<sub>4</sub>@MIL-100(Fe) (CFM) ternary composites using hydrothermal and in-situ growth methods to enhance the degradation of oxytetracycline hydrochloride (OTC-HCl) in a Fenton-like photocatalytic system. The incorporation of CuS as a co-catalyst into the double iron-based system significantly enhanced photocatalytic activity, achieving a 95.31 % degradation efficiency for OTC-HCl within 50 min under optimized conditions. The catalyst had good reusability, has 86.64 % degradation efficiency after five magnetic recovery cycles, and still showed good catalytic performance in the presence of five different concentrations of common anions. Further analysis using active species quenching and electron paramagnetic resonance (EPR) experiments revealed the role of oxygen-containing radicals in the process. Liquid chromatography-mass spectrometry (LC-MS) and density functional theory (DFT) calculations provided OTC-HCl degradation pathways and intermediates. X-ray Photoelectron Spectroscopy (XPS) analysis indicated that CuS enhanced the performance of the bis-iron-based materials by improving the transfer efficiency of Fe<sup>2+</sup>/Fe<sup>3+</sup> and Cu<sup>+</sup>/Cu<sup>2+</sup> ions, which in turn accelerated the generation of reactive radicals from H<sub>2</sub>O<sub>2</sub>.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"27 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143665872","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}
Xiaole Qiu, Wenjun Zhang, Jiaxi Zhang, Kai Han, Hongchao Yang
{"title":"Tunable electronic and magnetic properties of monolayer electride Hf2S by N decorating","authors":"Xiaole Qiu, Wenjun Zhang, Jiaxi Zhang, Kai Han, Hongchao Yang","doi":"10.1016/j.apsusc.2025.163020","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163020","url":null,"abstract":"Electrides have attracted considerable attention in both experimental and theoretical research owing to the unique electron distribution characteristics in real space. The presence of free-electron gas in electrides increases the flexibility in regulating its physical properties. Here, we systematically investigate the electronic and magnetic properties of monolayer Hf<sub>2</sub>S via N-atom adsorption. We find that one-side-coverage N atoms can regulate the system to change from an antiferromagnetic metal to a ferromagnetic half-metal. The physical origin of the ferromagnetic property can be elucidated by the Stoner mechanism. Notably, two-side-coverage N atoms will further transform the system to a nonmagnetic semiconductor with large valley splitting at the K and K’ valleys. When applied an in-plane electric field, the valley Hall and spin Hall effects occurred due to optical excitation and charge doping. With these flexible properties, N-absorbed monolayer Hf<sub>2</sub>S exhibits significant potential applications in future electronic, spintronic, and valleytronic devices.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"91 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660555","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":"Crystal plane regulation and heterostructure construction of ZnIn2S4/h-BN for boosting photocatalytic hydrogen evolution","authors":"Ping Zou, Zewen Wu, Shenggui Ma, Guangmei Cao, Xia Jiang, Hualin Wang","doi":"10.1016/j.apsusc.2025.163017","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163017","url":null,"abstract":"Visible light photocatalytic decomposition of water to form hydrogen provides a green and safe production method for clean energy, in which high activity and stability of heterocatalysts are high demand. In this paper, we report an inorganic anion regulation strategy to tune different exposed crystal planes of hexagonal ZnIn<sub>2</sub>S<sub>4</sub>, while modifying them with h-BN cocatalyst to form van der Waals heterojunction (vdWH) and reduce the photocorrosion, thereby boosting the photocatalytic hydrogen evolution activity. Consequently, ZnIn<sub>2</sub>S<sub>4</sub>(102)-20BN (ZIS-20BN) photocatalysts showed a remarkable photocatalytic H<sub>2</sub> production performance of 3.61 mmol/g<sub>cat</sub>/h with a 10 W LED as the light source, 1.64 times higher than that of ZnIn<sub>2</sub>S<sub>4</sub>(102) (ZIS-(102)). Moreover, characterization and density functional theory calculations demonstrated that ZIS-(102) exhibited the lowest work function and the introduction of an appropriate amount of h-BN induced the formation of the van der Waals heterostructure, which are conducive to the improvement of the photocatalytic hydrogen evolution activity and stability. Therefore, this study provides a new feasible option for the rational design of heterojunction photocatalysts utilizing specific crystal planes and non-noble metal cocatalysts to achieve efficient photocatalytic production of hydrogen.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"32 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660922","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}
Fajie Hu, Rushuo Li, Danfeng Zhao, Xiubing Huang, Ge Wang
{"title":"Promoted synergistic interactions between Ce and Ni in hierarchical porous Ce-UiO-66 supported Ni NPs for dicyclopentadiene hydrogenation to tetrahydrodicyclopentadiene","authors":"Fajie Hu, Rushuo Li, Danfeng Zhao, Xiubing Huang, Ge Wang","doi":"10.1016/j.apsusc.2025.163022","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163022","url":null,"abstract":"The hydrogenation of dicyclopentadiene (DCPD) to synthesize tetrahydrodicyclopentadiene (THDCPD) is one of the key processes for the preparation of high-energy–density fuels, and the development of low-temperature and high-activity Ni catalysts is still challenging. In this work, hierarchical porous (HP) Ce-UiO-66 loaded Ni nanoparticles (NPs) catalysts were prepared based on the soft template method and liquid-phase in situ reduction method. The introduction of mesopores into Ce-UiO-66 can effectively enhance the transfer and adsorption of the substrate, and Ni NPs act as the main active centers. Furthermore, the modulation of the electronic structure of Ni NPs and the promotion of Ce-Ni interaction were effectively achieved by changing the in-situ deposition conditions. With a low loading of 3 wt% Ni NPs, the prepared 3Ni/HP-UiO-66 catalysts could achieve the observed complete DCPD conversion and 100 % selectivity of THDCPD within 1 h and retained good cycling stability. The results demonstrated preferential adsorption and hydrogenation of the norbornene ring, confirming the reaction pathway of the 3Ni/HP-UiO-66 catalyst for the hydrogenation of DCPD. The present work provides a guidance for exploring and designing non-noble metal catalysts for the hydrogenation of olefins and aromatics.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"91 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660527","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 sensitive non-enzymatic electrochemical sensor for uric acid detection using copper oxide nanopebbles-modified glassy carbon electrode","authors":"Arun Kumar Gunasekaran, Noel Nesakumar, Balu Mahendran Gunasekaran, Arockia Jayalatha Kulandaisamy, John Bosco Balaguru Rayappan","doi":"10.1016/j.apsusc.2025.162956","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162956","url":null,"abstract":"A highly sensitive mediator-dependent electrochemical non-enzymatic biosensor for uric acid sensing was developed using copper oxide nanopebbles as an effective electrochemical sensing platform. For this purpose, CuO nanopebbles were prepared using a simple wet chemical route and employed to fabricate CuO-modified glass carbon (GC) electrode with chitosan as a binder to form GC/CuO/Chitosan. The electrochemical oxidation and reduction of uric acid at the electrode–electrolyte interface were facilitated by the electrocatalytic behaviour of CuO nanopebbles. Upon employing differential pulse voltammetry, the fabricated electrode detected uric acid over a broad linear range of 0.1–1.2 mM with a high sensitivity of 0.020 µA µM<sup>−1</sup> and a low limit of detection of 28.2 nM. The developed electrode offers high stability over a period of 14 days with good repeatability (1.61 % RSD) and reproducibility (2.27 % RSD). Finally, the fabricated electrode was tested to quantify the spiked uric acid concentrations in synthetic urine samples to analyse the practical ability of the electrode in real-world analysis, and the recovery results (99.4–100.7 %) were satisfactory. Taken together, the fabricated CuO nanopebble-based GC electrode could be used as a promising candidate for sensing and quantifying ultra-low levels of uric acid in urine samples.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"29 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660524","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":"Preparation of Z-scheme hetero-structure Co-doped BiFeO3/BiVO4 film photoanode for photoelectrochemical water splitting","authors":"Xingang Kong, Hao Tian, Xinmiao Yang, Guoyu Ren, Jianfeng Huang, Lixiong Yin, Hao Zhang","doi":"10.1016/j.apsusc.2025.162961","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.162961","url":null,"abstract":"The Co-doped BiFeO<sub>3</sub>/BiVO<sub>4</sub> composite photoanode was successfully synthesized via the sol–gel method. The surface work function of BiFeO<sub>3</sub> was modified by doping Co<sup>3+</sup> ions, resulting in the formation of a Z-scheme Co-BiFeO<sub>3</sub>/BiVO<sub>4</sub> hetero-structure. In this hetero-structure, the photogenerated carriers were not only able to effectively separated, but also the high oxidation capacity of BiVO<sub>4</sub> and the high reduction of Co-BiFeO<sub>3</sub> retained. And the direction of the spatial electric field on the BiVO<sub>4</sub> surface aligned with the electric field on the Co-BiFeO<sub>3</sub>/BiVO<sub>4</sub> interface, which enhanced the separation of photogenerated carriers and promoted the photogenerated hole migration forward the surface of photoanode. As a result, the Z-scheme Co-BiFeO<sub>3</sub>/BiVO<sub>4</sub> composite photoanode exhibited strong photoelectrochemical performance compared with BiFeO<sub>3</sub>/BiVO<sub>4</sub> composite photoanode.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"20 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660525","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}