Joris More-Chevalier , Urszula D. Wdowik , Jiří Martan , Xavier Portier , Stanislav Cichoň , Esther de Prado , Petr Levinský , Ladislav Fekete , Jan Pokorný , Dejan Prokop , Petr Hruška , Markéta Jarošová , Jan Kejzlar , Dominik Legut , Michal Novotný , Ján Lančok
{"title":"Thermoelectric efficiency enhancement in ScN-based multilayers by Nb diffusion-driven doping","authors":"Joris More-Chevalier , Urszula D. Wdowik , Jiří Martan , Xavier Portier , Stanislav Cichoň , Esther de Prado , Petr Levinský , Ladislav Fekete , Jan Pokorný , Dejan Prokop , Petr Hruška , Markéta Jarošová , Jan Kejzlar , Dominik Legut , Michal Novotný , Ján Lančok","doi":"10.1016/j.apsadv.2025.100821","DOIUrl":"10.1016/j.apsadv.2025.100821","url":null,"abstract":"<div><div>The thermoelectric properties of ScN/Sc<sub>1-x</sub>Nb<sub>x</sub>N multilayers deposited on MgO (001) substrates were studied using a combined experimental and theoretical approach based on density functional theory. Four ScN/Sc<sub>1-x</sub>Nb<sub>x</sub>N multilayers with varying doped layer thicknesses were produced, resulting in an overall Nb atomic percentage in the samples of 0.4 %, 1.2 %, 1.8 %, and 4.8 %, respectively. Structural characterization confirmed the epitaxial growth of multilayers with sharp interfaces. Raman spectroscopy revealed a redshift of optical phonon modes with increasing Nb concentration. Temperature-dependent Raman measurements showed an irregular shift in transverse optical (TO) modes, while longitudinal optical (LO) modes experienced a blueshift, indicating complex phonon dynamics influenced by temperature and multilayer structure. Thermoelectric measurements indicated an increase in the Seebeck coefficient and a decrease in thermal conductivity with Nb-doped ScN interlayers. The figure of merit (ZT) potentially increased to over 0.3. This improvement highlights the potential of this approach for enhancing the thermoelectric performance of scandium nitride.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100821"},"PeriodicalIF":8.7,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144878674","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}
Hafsa Khurshid , Muhammad Aamir , It Ee Lee , Qamar Wali , Muhammad Sher , Muhammad Imran Din , Zaib Hussain , Javeed Akhtar , Md. Akhtaruzzaman , Md. Shahiduzzaman , Medvedev Dmitry
{"title":"Engineering multi-interface Co/Cu co-doped CdS@PCN hybrid architectures for use as high-efficiency visible light driven photocatalysis for the degradation of oxytetracycline","authors":"Hafsa Khurshid , Muhammad Aamir , It Ee Lee , Qamar Wali , Muhammad Sher , Muhammad Imran Din , Zaib Hussain , Javeed Akhtar , Md. Akhtaruzzaman , Md. Shahiduzzaman , Medvedev Dmitry","doi":"10.1016/j.apsadv.2025.100828","DOIUrl":"10.1016/j.apsadv.2025.100828","url":null,"abstract":"<div><div>Developing robust and efficient earth-abundant doped metal-sulfide-based hybrid materials for the photocatalytic degradation of pollutants is vital. This study demonstrates the controlled fabrication of multi-interfacial copper and cobalt co-doped CdS and phosphorus-incorporated g-C<sub>3</sub>N<sub>4</sub>-based hybrid architectures through chemical alloying and a co-precipitation method. The 15% Co/Cu-CdS@PCN-32(hetero) catalyst, with its diverse interfaces and a suitable optical band gap, exhibited excellent 96. 45% in 40 minutes with a rate constant of 0.0831 min<sup>-1</sup>. Moreover, the photocatalyst has shown excellent durability. This study has the potential to facilitate the development of a multifunctional composite material by combining hybrid component interfaces.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100828"},"PeriodicalIF":8.7,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144878663","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}
Junhao Wan, Zhaofan Yue, Huan Huan, Min Dan, Guoqing Tang, Fanya Jin
{"title":"Effect of yttrium doping on the structure and tribological properties of MoSx coatings in humid atmosphere","authors":"Junhao Wan, Zhaofan Yue, Huan Huan, Min Dan, Guoqing Tang, Fanya Jin","doi":"10.1016/j.apsadv.2025.100825","DOIUrl":"10.1016/j.apsadv.2025.100825","url":null,"abstract":"<div><div>MoS<sub>2</sub> is prone to oxidation and moisture-induced decomposition in humid environments, leading to a sharp decline in its frictional properties. This significantly restricts the application scope of MoS<sub>2</sub>. Therefore, modifying MoS<sub>2</sub> to enhance its frictional performance in humid conditions is of great necessity. To this end, MoS<sub>x</sub>-Y composite coatings with varying yttrium contents were fabricated by direct current magnetron sputtering. The effects of Y doping and its concentration on the structural characteristics, mechanical properties, and tribological performance of MoS<sub>x</sub> coatings were systematically investigated using SEM, XPS, XRD, nanoindentation, and friction tests. The results indicate that the doped Y element mainly existed in the form of Y<sub>2</sub>O<sub>3</sub> within the coating. As the Y element content increased, the hardness and elastic modulus of the MoS<sub>x</sub>-Y composite coating gradually increased. The tribological properties of the coatings with different Y contents under a humid atmosphere (RH=60 %) were comprehensively evaluated through rotary friction experiments. The experimental results reveal that the introduction of appropriate Y contents can effectively reduce the friction coefficient of the MoS<sub>x</sub> coating in a humid environment to approximately 0.1, and significantly enhance its friction life. The doping of the Y element inhibits the growth of the (100) and (110) planes of MoS<sub>x</sub>, causing the coating to grow preferentially along the (002) plane, which is an important factor contributing to the enhancement of the tribological properties of the MoS<sub>x</sub> coating by yttrium doping. This work demonstrates the controllability and potential of the tribological properties of the MoS<sub>x</sub> coating.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100825"},"PeriodicalIF":8.7,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144864190","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}
Seokgyu Ryu , Murali Ramu , Patrick Joohyun Kim , Junghyun Choi , Kangchun Lee , Jihoon Seo
{"title":"Review on atomistic and quantum mechanical simulation approaches in chemical mechanical planarization","authors":"Seokgyu Ryu , Murali Ramu , Patrick Joohyun Kim , Junghyun Choi , Kangchun Lee , Jihoon Seo","doi":"10.1016/j.apsadv.2025.100819","DOIUrl":"10.1016/j.apsadv.2025.100819","url":null,"abstract":"<div><div>Chemical mechanical planarization (CMP) faces critical challenges including non-uniform material removal, surface defect generation, and complex tribochemical interactions that limit process control at advanced semiconductor nodes. This review examines computational simulation approaches that address these challenges through atomistic and quantum mechanical methods. Significant progress has been achieved using Fukui function analysis for additive screening, density functional theory (DFT) for surface passivation mechanisms, and molecular dynamics (MD) simulations for CMP processes. These simulation approaches have generated quantitative insights into key CMP metrics: surface roughness reduction from ∼5 nm to sub-1 nm scales, material removal rates ranging from 100 to 1000 Å/min depending on slurry chemistry, and subsurface damage layer thickness characterization. Mechanistically, simulations reveal three primary pathways: chemical dissolution through surface oxidation, mechanical abrasion via particle-surface interactions, and synergistic tribochemical reactions combining both effects. DFT calculations elucidate electronic structure-property relationships governing selectivity between different materials, while MD simulations capture real-time surface evolution and particle dynamics. Reactive force field methods bridge quantum mechanical accuracy with classical simulation timescales, enabling comprehensive mechanistic understanding across multiple length scales. Future research directions include development of machine learning-accelerated simulations, integration of multiphysics models connecting molecular-scale phenomena to wafer-scale uniformity, and predictive frameworks for novel slurry chemistries. Enhanced computational methods targeting industrial-scale process optimization and real-time process control represent critical advancement opportunities for next-generation CMP technology development.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100819"},"PeriodicalIF":8.7,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144864193","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}
José Mario Ferreira Jr , Vineeta Shukla , Muhamad Yudatama Perdana , Felipe Maluf Rojob , Patrick Alfred Johnson
{"title":"Temperature-dependent X-ray degradation in dicarboxylic acids: Insights from low-temperature XPS analysis","authors":"José Mario Ferreira Jr , Vineeta Shukla , Muhamad Yudatama Perdana , Felipe Maluf Rojob , Patrick Alfred Johnson","doi":"10.1016/j.apsadv.2025.100807","DOIUrl":"10.1016/j.apsadv.2025.100807","url":null,"abstract":"<div><div>In this study, we investigate the effects of X-ray exposure on low-temperature samples of dicarboxylic acids - malonic acid, succinic acid, and glutaric acid - using X-ray photoelectron spectroscopy (XPS). Unlike previous findings with powdered samples, where X-ray induced degradation was evident, the LT samples exhibited remarkable stability under X-ray irradiation. By maintaining the samples at cryogenic temperatures, we effectively mitigated the thermal degradation pathways that typically lead to decarboxylation and other chemical modifications. High-resolution XPS spectra acquired over extended periods revealed no significant changes in the chemical composition or binding energy states of the low-temperature samples, confirming their stability. This work highlights the critical role of temperature control in preserving the integrity of X-ray sensitive materials during surface analysis. Our findings provide a robust framework for conducting accurate and reliable XPS analyses on thermally labile compounds, offering valuable insights for researchers in surface science and materials characterization.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100807"},"PeriodicalIF":8.7,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144852363","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":"High-yield photolithography protocol to pattern metallic electrodes on 2D materials without adhesive metallic layers","authors":"Wenwen Zheng , Kaichen Zhu , Sebastian Pazos , Yaqing Shen , Yue Yuan , Osamah Alharbi , Yue Ping , Mario Lanza","doi":"10.1016/j.apsadv.2025.100820","DOIUrl":"10.1016/j.apsadv.2025.100820","url":null,"abstract":"<div><div>When using two-dimensional (2D) materials to build electronic devices, adjacent metallic films need to be deposited to form electrodes. However, weak adhesion in high-quality van der Waals interfaces often leads to a low fabrication yield due to materials cracking and even peeling during photolithography. Several researchers use ultra-thin adhesive metallic layers, such as Ti, Cr, or Ni; while this method effectively enhances adhesion, all these metals are oxygen scavengers (in more or less degree) and they significantly alter the charge transport. Here we present a fabrication process for 2D-materials-based electronic devices that leads to high yield without the need of using adhesive metallic layers. Our method consists on using a discontinuous coverage of the 2D material during the photolithography step assisted by a negative photoresist, combined by electron beam evaporation of metal under moderate vacuum (5 × 10<sup>−6</sup> Torr) to produce a truly van der Waals interface and avoid damaging the 2D material. When using this improved method, we systematically achieve defect-free Au/hBN interfaces with good adhesion, which lead to 100 % fabrication yield (340 devices were fabricated correctly). Electrical characterization reveals low leakage currents below 10 pA and minimal device-to-device variability, demonstrating the process’s effectiveness. Our method provides a viable pathway towards the fabrication of 2D material-based electronic devices and circuits with higher performance and reliability.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100820"},"PeriodicalIF":8.7,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144841004","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}
Anna Knaislová , Diana Horkavcová , Eva Jablonská , Dalibor Vojtěch
{"title":"Sol-gel TiO2-based coatings in 3D printed porous Ti-6Al-4V alloy structures as efficient antibacterial drug delivery systems: Thorough structural and biological characterization","authors":"Anna Knaislová , Diana Horkavcová , Eva Jablonská , Dalibor Vojtěch","doi":"10.1016/j.apsadv.2025.100816","DOIUrl":"10.1016/j.apsadv.2025.100816","url":null,"abstract":"<div><div>The application of sol-gel coatings on titanium-based materials offers a promising approach for enhancing their bioactivity, antibacterial properties, and adhesion, particularly for biomedical applications. This study focuses, for the first time, on the preparation and characterization of sol-gel TiO<sub>2</sub>-based coatings containing hydroxyapatite and silver in 3D-printed porous gyroid and dodethick structures. TiO<sub>2</sub>-based coatings on the standard wrought Ti-Al-V alloy rods were used as a reference. The coatings were applied via the specific dip-coating process developed by the author team. The microstructural analysis revealed that the sol-gel coatings on the reference wrought rod samples were homogeneous and well-adhered. The coatings on the porous gyroid and dodethick structures exhibited some localized cracking due to the complex geometry of the porous structures. Bioactivity was evaluated through the standard <em>in vitro</em> simulated body fluid tests, confirming hydroxyapatite precipitation on HA-containing coatings. Antibacterial properties were assessed against <em>Escherichia coli</em>, demonstrating nearly 100 % bacterial inhibition for Ag-containing coatings. Cytotoxicity tests with L929 fibroblast cells indicated that coatings with lower Ag concentrations in sol were non-toxic, while higher Ag concentrations in sol resulted in reduced cell viability, particularly in gyroid structures.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100816"},"PeriodicalIF":8.7,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144828260","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}
Wengang Bu, Jiamao Hao, Xiangyang Wang, Rong Wang, Zhenfeng Hu, Xiubing Liang
{"title":"Investigating the influence mechanism of Mo content on solid solution and grain boundary strengthening in NiCoMo alloys using molecular dynamics","authors":"Wengang Bu, Jiamao Hao, Xiangyang Wang, Rong Wang, Zhenfeng Hu, Xiubing Liang","doi":"10.1016/j.apsadv.2025.100822","DOIUrl":"10.1016/j.apsadv.2025.100822","url":null,"abstract":"<div><div>This study systematically investigates the effects of varying molybdenum (Mo) content on the solid solution strengthening and grain boundary strengthening mechanisms in NiCoMo alloys using molecular dynamics (MD) simulations. Through comparative analyses of dislocation evolution, stress distribution, and phase transformation behavior, the critical role of Mo in enhancing the mechanical properties of the material is revealed. The results indicate that: In solid solution strengthening, at a Mo content of 12% (NiCoMo12), lattice distortion effectively inhibits dislocation slip, significantly improving the matrix strength. For grain boundary strengthening, at a Mo content of 30% (GB-30), the pinning effect of grain boundaries is markedly enhanced, with the most uniform local stress distribution and the smallest shear strain regions, demonstrating optimal strengthening performance. Additionally, increasing Mo content accelerates the FCC → HCP phase transformation, but an appropriate Mo concentration effectively suppresses this transformation, maintaining the stability of the crystal structure. The synergistic effects of solid solution strengthening and grain boundary strengthening achieve dual improvements in material strength and stability. This work provides theoretical support for the design and optimization of NiCoMo alloys.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100822"},"PeriodicalIF":8.7,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144841005","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":"Electrode materials for electrochemical synthesis of carbon nanotube from CO2: Surface properties, mechanisms, and perspectives","authors":"I Ketut Rai Asmara Dipta, Chan Woo Lee","doi":"10.1016/j.apsadv.2025.100823","DOIUrl":"10.1016/j.apsadv.2025.100823","url":null,"abstract":"<div><div>Carbon nanotubes (CNTs) are nanomaterials with exceptional electrical, thermal, and mechanical properties, making them highly attractive for advanced technological applications. While conventional synthesis methods, such as chemical vapor deposition (CVD) are well-established for large-scale CNT production, molten salt electrolysis has emerged as an alternative pathway that simultaneously enables CO<sub>2</sub> utilization and potential energy saving. This review highlights recent developments in the electrochemical synthesis of CNTs via molten salt systems, with particular emphasis on the surface properties and roles of electrode materials. Various electrode materials, including metals, alloys, metal oxides, graphite, and liquid metals, are critically analyzed based on their catalytic activity, carbon–metal interactions, and influence on carbon morphology. In addition, the criteria for stable anode materials under oxygen evolution conditions are discussed. The review also addresses major challenges, including CNT purity and structural control, scaling up the process for industrial applications, and enhancing energy efficiency. By consolidating recent progress and identifying key knowledge gaps, this work aims to guide future innovation in the rational design of electrode materials for sustainable CNT production via electrochemical CO<sub>2</sub> conversion.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100823"},"PeriodicalIF":8.7,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144828261","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":"Evaluation of biological properties of green-synthesized ZnSe quantum dots using microfluidic systems: A novel approach to enhancing antibacterial activity","authors":"Zinab Moradi Alvand , Fateme Aghamir , Hamid Reza Rajabi , Hasan Rafati","doi":"10.1016/j.apsadv.2025.100812","DOIUrl":"10.1016/j.apsadv.2025.100812","url":null,"abstract":"<div><div>This study developed a green, eco-friendly, and rapid method for synthesizing zinc selenide quantum dots (ZnSe QDs) using the aqueous extract of <em>Ficus johannis</em> as a natural reducing and stabilizing agent. The extract was prepared through ultrasonic treatment at 40 °C for 15 min, enabling the synthesis of ZnSe QDs via the reaction between zinc nitrate and selenium dioxide. The ZnSe QDs were characterized using UV–Vis spectroscopy (absorption at ∼410 nm), fluorescence spectroscopy (emission at ∼473 nm), transmission electron microscopy (spherical morphology), and X-ray diffraction, (crystalline structure), confirming their spherical shape and average size of 6.9±1.2 nm. The synthesized ZnSe QDs demonstrated significant antibacterial activity, with minimum inhibitory concentration values of 0.8 mg/mL against Gram-positive <em>B. subtilis</em> and 1.6 mg/mL against Gram-negative <em>Escherichia coli</em>. Mechanistic studies revealed damage to bacterial membranes via potassium leakage and protein/nucleic acid release, supported by scanning electron microscopy observations of bacterial cell lysis. Using a microfluidic system further enhanced antibacterial efficacy, enabling faster and higher potassium leakage than conventional methods. Toxicity assays using <em>Allium cepa</em> bulbs revealed cytotoxic effects, suggesting the need for further research to mitigate toxicity for biomedical applications. Overall, this study showcases a green synthesis method with promising potential in nanomedicine.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"29 ","pages":"Article 100812"},"PeriodicalIF":8.7,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144781191","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}