Applied Surface Science Advances最新文献

{"title":"Theoretical study of the adsorption of methyl formate on the MgO (100) surface","authors":"R.E. Ambrusi ,&nbsp;J. Juan ,&nbsp;J.M. Marchetti","doi":"10.1016/j.apsadv.2025.100794","DOIUrl":"10.1016/j.apsadv.2025.100794","url":null,"abstract":"<div><div>A density functional theory study was performed to understand the interactions of the methyl formate molecule with the MgO (100) surface. In this context, the adsorption mechanisms of the molecule were investigated, with a focus on its stability on the substrate, the geometric structure of the system, and the interactions between the molecule and the surface. Two main stable configurations with approximately the same adsorption energy (about 0.47 eV) were found. The first configuration involves the oxygen of the carbonyl group on the Mg top site, while the second involves the remaining ester group oxygen on the same site. It is important to emphasize that each configuration interacts in different proportions in chemical and physical mechanisms, and with different bond participation. To comprehensively understand these phenomena, a systematic study was conducted, incorporating energy calculations, density of states, and charge and density difference analyses. Furthermore, chemical descriptors such as overlap population and bond order were employed to supplement the electronic results through a qualitative analysis of the main bonds.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100794"},"PeriodicalIF":7.5,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of pz band in hybrid carbon-bimetallic subnanocluster PtM (M = 3d, 4d, 5d block metals) catalysts to boost electrochemical oxygen reduction reaction","authors":"Eoyoon Lee ,&nbsp;Sangyong Shin ,&nbsp;Hyunjoo Lee ,&nbsp;Hyung Chul Ham","doi":"10.1016/j.apsadv.2025.100792","DOIUrl":"10.1016/j.apsadv.2025.100792","url":null,"abstract":"<div><div>The utilization of carbon-encapsulated Pt or Pt-alloy subnanocluster catalysts for proton exchange membrane fuel cells is a promising strategy to further reduce Pt loadings, enhancing catalytic activity and stability. However, such subnanocluster catalysts with carbon encapsulation remain prospective nanomaterials since they have been rarely explored to date. Here, using spin-polarized density functional theory (DFT) calculation, the carbon-encapsulated Pt and Pt-alloy catalysts (Pt<em>_n</em>@C and Pt₃M₃@C) featuring subnanoclusters are developed. Unlike the dissociative oxygen reduction occurring on a variety of metals, The Pt₆@C offered facile four-electron oxygen reduction reaction (ORR) pathway via H₂O₂ decomposition with low kinetic barrier (0.11 eV) at unique active site (carbon surface), and exhibited improved ORR activity with higher onset potential of 0.60 V over against Pt(111) catalyst (0.52 V). To reduce Pt loading and tune catalytic activity of Pt₆@C, the binary Pt₃M₃ alloy subnanoclusters (M = 3d, 4d and 5d block metals) were introduced. Using activity descriptor (*OOH adsorption energy), the screening of Pt₃M₃@C candidates was conducted. It suggested new Pt₃Co₃ (0.62 V), Pt₃Rh₃ (0.60 V), Pt₃Ta₃ (0.65 V), Pt₃Re₃ (0.61 V) alloy subnanoclusters possessing even or better ORR activity relative to Pt₆@C. The achievement of high ORR performance was also unveiled through an effective charge transfer from the metal subananocluster to the carbon shell. This leads to the down-shift of p_z band center of the carbon sites and in turn the formation of bonding orbital between *OOH and carbon at deeper energy level, which consequently strengthens *OOH adsorption and decreases the overpotential. Our study can provide valuable insight into developing the hybrid metal-carbon catalysts with highly reduced Pt loadings for the efficient ORR as well as other electrocatalysis applications.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100792"},"PeriodicalIF":7.5,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144321859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Soft magnetic composite obtained by interface reaction upon spark plasma sintering using double-coated Al-permalloy (Ni71.25Fe23.75Al5) composite particles","authors":"Traian Florin Marinca ,&nbsp;Florin Popa ,&nbsp;Amalia Zorica Mesaroș ,&nbsp;Bogdan Viorel Neamțu ,&nbsp;Virgiliu Călin Prică ,&nbsp;Horea Florin Chicinaș ,&nbsp;Ionel Chicinaș","doi":"10.1016/j.apsadv.2025.100793","DOIUrl":"10.1016/j.apsadv.2025.100793","url":null,"abstract":"<div><div>Soft magnetic composite with oxide matrix (mainly alumina) have been prepared by reactive sintering of double-coated Al-permalloy (Ni71.25Fe23.75Al5 wt. %) composite particles. Nanocrystalline Al-permalloy powder have been first superficially oxidized by immersion in HCl solution. Upon oxidizing a thin layer of a mixture of oxides is formed. The Ni71.25Fe23.75Al5@oxide particles have been homogenised with Fe₂O₃ nanoparticles to obtain double layer coated particles. The as-obtained double coated particles have been densified at 900 °C by spark plasma sintering. Upon sintering, reactions at the interface between the metallic part of the particles and the double-layer of oxides occurs. Al atoms diffused to the particles' outer layer and reacted with the oxides layers, resulting mainly alumina. The microstructure is consisting of metallic Ni-based clusters embedded in alumina matrix. The alumina layer is continuous offering a high electrical resistivity. The interface between the metallic and oxide layer was analysed and discussed. The powder has been characterised by scanning electron microscopy (SEM), X-ray microanalyses (EDX), X-ray diffraction (XRD), Fourier-transformed infrared spectroscopy (FTIR) and the sintered composite compacts by SEM and from magnetic and electric point of views. The characteristics of powder and compacts are discussed and corelated with the process and interface reactions.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100793"},"PeriodicalIF":7.5,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of SiC nanoparticles on the wear and corrosion resistance of Ag-Si composite coatings prepared by electrodeposition technique","authors":"F. Bakhtiarifard,&nbsp;N. Nayebpashaee","doi":"10.1016/j.apsadv.2025.100791","DOIUrl":"10.1016/j.apsadv.2025.100791","url":null,"abstract":"<div><div>This study aims to improve the corrosion and wear resistance of Ag-Si-SiC composite coatings by pulse-reverse electrodeposition and the addition of SiC nanoparticles. The effects of important parameters such as SiC nanoparticles, direct current, and pulse reverse electrodeposition on the microstructure, wear, and corrosion resistance of Ag-Si-SiC coatings were investigated. The coatings were evaluated using different characterization techniques such as SEM, EDS, XRD, XRF, LSV and electrochemical analysis. In addition, the pin-on-disk method and Vickers microhardness were developed to investigate the wear behavior. The coating process resulted in coatings with a target thickness of 30–40 µm, which were accompanied by a significant improvement in surface quality. This improvement was reflected in the roughness reduction from 251.4 µm to 107.8 µm. The results of the analyses showed that coatings with a Si content of 0.3 % exhibited a reduction in grain size from 20 µm to 1.2 µm and a subsequent reduction in corrosion current strength from 478×10⁻⁸ A.cm⁻² to 7.31×10⁻¹⁰ A.cm⁻² in the artificial human sweat electrolyte. The addition of 4 g/L SiC nanoparticles resulted in increased wear resistance, as indicated by a decrease in the friction coefficient from 0.5 ± 0.05 to 0.4 ± 0.03 while maintaining the same corrosion resistance. The remarkable performance of the coatings was observed under exposure to corrosive ammonium sulfide electrolytes and artificial human sweat, illustrating the effectiveness of pulsed reverse electrodeposition in producing dense, fine-grained structures of Ag-Si-SiC composite coatings, resulting in increased mechanical and corrosion resistance.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100791"},"PeriodicalIF":7.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144280395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly porous single-phase rhombohedral CrxRh2−xO3 nanofibers expediting oxygen evolution reaction","authors":"Taehui Kwon ,&nbsp;Kyungmin Kim ,&nbsp;Sampath Prabhakaran ,&nbsp;Subin Choi ,&nbsp;Jiwon Kim ,&nbsp;Yeji Yim ,&nbsp;Jihyun Park ,&nbsp;Hoi Ri Moon ,&nbsp;Myung Hwa Kim ,&nbsp;Do Hwan Kim ,&nbsp;Youngmi Lee","doi":"10.1016/j.apsadv.2025.100789","DOIUrl":"10.1016/j.apsadv.2025.100789","url":null,"abstract":"<div><div>Single-phase rhombohedral Cr<em>_x</em>Rh₂₋<em>_x</em>O₃ nanofibers are demonstrated as an excellent and stable electrocatalyst for oxygen evolution reaction (OER) under alkaline condition. Facile optimization of the annealing temperature for electrospun nanofibers composed of Cr/Rh metal precursors and poly(vinylpyrrolidone) could produce highly porous nanofibers of single-phase Cr<em>_x</em>Rh₂₋<em>_x</em>O₃ by randomly distributing two metal ions of Cr³⁺ and Rh³⁺ in the rhombohedral crystalline lattice sites. Single-phase Cr<em>_x</em>Rh₂₋<em>_x</em>O₃ could then induce the best synergistic effect of Cr and Rh owing to the perturbation of the surface electronic structure of the electrocatalyst active site and much enlarged electroactive surface area. Density functional theory (DFT) simulation integrated with experimental data indicated that the increased activity was due to moderate <em>d</em>-band center energy levels. This regulates oxygen desorption and adsorption capacities in the intermediates (*OH, *O, and *OOH). Conclusively, Cr<em>_x</em>Rh₂₋<em>_x</em>O₃ nanofibers exhibited superior OER catalytic performances (low overpotential and Tafel slope with high stability and easy product desorption) compared to other Rh-related catalysts reported to date.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100789"},"PeriodicalIF":7.5,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144280394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-organized morphological and compositional evolution in Al1-xInxN structures on GaN layers","authors":"Da Mi Kwon ,&nbsp;Hyun Jin Choi ,&nbsp;Chan Hee Hwang ,&nbsp;Jong Hoon Kim ,&nbsp;Tae Hyeon Jeong ,&nbsp;Eun Ah Cheon ,&nbsp;Young-Kyun Noh ,&nbsp;Mino Yang ,&nbsp;Young Heon Kim","doi":"10.1016/j.apsadv.2025.100786","DOIUrl":"10.1016/j.apsadv.2025.100786","url":null,"abstract":"<div><div>The temperature-dependent microstructural and compositional characteristics of Al_1-xIn_xN structures grown by molecular beam epitaxy (MBE) were investigated to understand the growth behaviors using scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray diffraction (XRD), and transmission electron microscopy (TEM) techniques. Self-organized 2D layers and 3D nanostructures were identified in the Al_1-xIn_xN structures grown at 620 °C and 685 °C, while a complete 2D layer formed at 735 °C. As the growth temperature increased from 620 °C to 685 °C, the thickness of the 2D layer increased, while the length of the 3D nanostructures decreased. With increasing temperature, the indium composition in the Al_1-xIn_xN structures decreased from approximately 12 % at 620 °C to 0 % at 735 °C. Compositional fluctuations were observed in the structures grown at 620 °C and 685 °C. Indium-rich clusters resulting from phase separation appeared predominantly in the 3D nanostructures grown at these temperatures. The observed microstructural evolution and compositional fluctuation were interpreted based on growth kinetics. These findings offer valuable insights for optimizing epitaxial growth strategies of ternary compound semiconductors to control morphological features and improve microstructural quality.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100786"},"PeriodicalIF":7.5,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Performance of Ni-Ce oxide black protective coatings produced via photo-assisted potentiodynamic deposition","authors":"Zizhou Qin ,&nbsp;Yumeng Yang ,&nbsp;Yang Zhang ,&nbsp;Benfeng Zhu ,&nbsp;Jiao Liu ,&nbsp;Li Jiang ,&nbsp;Ming Liu ,&nbsp;Zhiji Deng ,&nbsp;Guoying Wei","doi":"10.1016/j.apsadv.2025.100788","DOIUrl":"10.1016/j.apsadv.2025.100788","url":null,"abstract":"<div><div>Black coatings have garnered considerable interest from researchers due to their distinctive properties and wide-ranging applications. This study investigates the effects of illumination and deposition potential on the properties of Ni-Ce oxide black protective coatings and elucidates the possible reasons for the changes in hydrophobicity. The results indicate that illumination accelerates the coating deposition process. Under illumination, the coating thickness increased from 3.27 μm to 5.44 μm, and the surface roughness rose from 0.38 to 0.84. The absorption rate in the UV–visible region and emission properties of the coating deposited with photo illumination reached up to 95 % and 0.87, respectively. Moreover, by manipulating of the deposition potential range, precise control over the coating’s thickness and roughness was achieved, enabling the optimization of its absorption and emission properties. The optimal deposition potential range was found to be between 0 and -1.4 V. Illumination conditions also play a crucial role in the rate of change of the water contact angle. The contact angle of water increased from 19.2° to 132° as the placement time increased. This significant enhancement in the water contact angle variation could be attributed to the adsorption of hydrocarbons from the ambient air. This research provides a promising methodology for the development of black coatings with exceptional absorptivity and emissivity, which may find applications in the aerospace industry and precision optical instruments.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100788"},"PeriodicalIF":7.5,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mobility of antifreeze proteins as a key factor in their use to control ice growth on surfaces and polymers","authors":"Laura Hoebus,&nbsp;Miisa J. Tavaststjerna,&nbsp;Santiago J. Garcia","doi":"10.1016/j.apsadv.2025.100790","DOIUrl":"10.1016/j.apsadv.2025.100790","url":null,"abstract":"<div><div>The successful use of ice-binding proteins (IBPs) to develop anti-icing surfaces requires a comprehensive understanding of their working mechanism when introduced in environments distinct from the protein's natural setting. This study systematically addresses this aspect by investigating how IBPs control ice accretion when grafted onto an aluminum alloy using polyethylene glycol (PEG) linkers of various lengths and on the polymer backbone of a PEG hydrogel matrix. Freezing experiments monitored through thermal imaging reveal that the degrees of freedom of the proteins significantly influence their functionality. Specifically, we demonstrate that when the degrees of freedom of anti-freeze proteins (AFPs) are restricted by their functionalization on surfaces using short linkers or when they are present in restricted volumes in polymers, they behave as ice-nucleating proteins (INPs) promoting ice accretion. In conditions where their degrees of freedom are enhanced (long linkers, water-rich environment), AFPs effectively inhibit ice nucleation and propagation. The work underlines the relevance of protein mobility as a so far unforeseen key design factor needed to fully benefit from the potential use of natural or synthetic AFPs grafted on surfaces for cryopreservation of biological samples and the design of next-generation low-icing surfaces and coatings.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100790"},"PeriodicalIF":7.5,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Measurement of interfacial adhesion strength of Copper-Silicon based dielectric interfaces via laser spallation test","authors":"Young-Min Ju ,&nbsp;Dukyong Kim ,&nbsp;Se-Min Lee ,&nbsp;Heuisu Kim ,&nbsp;Daewoong Lee ,&nbsp;Yeon-Taek Hwang ,&nbsp;Seung Hwan Lee ,&nbsp;Hak-Sung Kim","doi":"10.1016/j.apsadv.2025.100783","DOIUrl":"10.1016/j.apsadv.2025.100783","url":null,"abstract":"<div><div>In this study, the interfacial adhesion strength between copper (Cu) and dielectric films was investigated using laser spallation test. To quantitatively evaluate the interfacial strength, the compressive stress wave generated by laser pulse was precisely calibrated, and interface stress was analyzed through wave propagation simulation. The highest adhesion strength was observed in plasma-enhanced chemical vapor deposition (PECVD) silicon oxide (63.57±11.31 MPa), followed by PECVD silicon nitride (53.95±12.04 MPa) and low-pressure chemical vapor deposition (LPCVD) silicon nitride (26.06±6.44 MPa). Scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS) analysis confirmed that failure consistently occurred at the Cu/dielectric interface. The relatively high adhesion of PECVD silicon oxide was attributed to both mechanical and chemical factors. Atomic force microscopy (AFM) analysis revealed its rougher surface enhances mechanical interlocking. In addition, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FTIR) analyses confirmed the presence of hydroxyl groups (-OH) at the interface, facilitating Cu oxidation and Cu-O bond formation. Overall, this comprehensive study provides critical understanding for improving Cu/dielectric interfacial reliability in semiconductor devices.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100783"},"PeriodicalIF":7.5,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144231884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bilayered metallic cathodes consisting of pure Mg and Zn:Al thin films optimized by Laser-induced Thermionic Vacuum Arc (LTVA) technology","authors":"Aurelia Mandes ,&nbsp;Rodica Vladoiu ,&nbsp;Virginia Dinca ,&nbsp;Milan Tichy ,&nbsp;Pavel Kudrna ,&nbsp;Elena Matei ,&nbsp;Silviu Polosan","doi":"10.1016/j.apsadv.2025.100787","DOIUrl":"10.1016/j.apsadv.2025.100787","url":null,"abstract":"<div><div>Bilayer metallic electrodes of magnesium and zinc-aluminum alloys Mg/Zn:Al were prepared using combined laser-thermionic vacuum arc methods. Plasma diagnosis suggests laser-plasma interaction by increasing the discharge voltage when the laser is on, which is converted by thermal annealing of plasma ions. A magnesium thin film with a lower work function, covered with a Zn:Al (4:1) layer was successfully used for efficient charge injection into electroluminescent diodes. The zinc-aluminum combination preserved the electrical conductivity of the thin magnesium film and protected it against oxidation. The capacitance-voltage measurements confirmed the integrity of the magnesium layer, whereas the work function was not affected. The zinc-aluminum alloy obtained through a thermionic vacuum arc exhibits good conductivity compared to pure zinc layers and better stability against degradation.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"28 ","pages":"Article 100787"},"PeriodicalIF":7.5,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144231885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}