Applied Surface Science Advances最新文献

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Electrolyte and electrolyte-additives for improved plasma electrolytic oxidation on magnesium alloys
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-29 DOI: 10.1016/j.apsadv.2025.100700
Viswanathan S. Saji
{"title":"Electrolyte and electrolyte-additives for improved plasma electrolytic oxidation on magnesium alloys","authors":"Viswanathan S. Saji","doi":"10.1016/j.apsadv.2025.100700","DOIUrl":"10.1016/j.apsadv.2025.100700","url":null,"abstract":"<div><div>Plasma electrolytic oxidation (PEO) is a pivotal method to create a thick and adherent protective oxide layer on magnesium (Mg) alloys, significantly enhancing their wear and corrosion resistance. The functional oxide layers fabricated via PEO have diverse potential applications, including automobile, aerospace, machinery, biomedical, thermal protection, catalysis, and energy materials. The type and nature of the electrolyte and electrolyte additives used in PEO play a decisive role in shaping the morphology, compactness, porosity, composition, thickness, wear/corrosion resistance, mechanical properties, and other functionalities of the resulting layer. The in-situ integration of chemicals/particles into the PEO layer, facilitated by optimized electrolyte additives, is a well-established method for producing enhanced composite oxide layers. This potential for creating enhanced composite PEO oxide layers is a promising aspect of PEO technology, and this review explores the latest strategies in optimizing electrolyte and electrolyte additives for superior PEO layers in various applications.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"26 ","pages":"Article 100700"},"PeriodicalIF":7.5,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143130005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High-performance composite anodes based on SBA-15 mesoporous silica modified with silicon, silicon oxide, titanium oxide, and germanium oxide for lithium-ion batteries
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-29 DOI: 10.1016/j.apsadv.2025.100699
Radu Dorin Andrei , Giorgian Cosmin Ungureanu , Luisa Roxana Mandoc , Violeta-Carolina Niculescu , Jeremy Rodriguez , Mihaela Ramona Buga , Athanasios Tiliakos
{"title":"High-performance composite anodes based on SBA-15 mesoporous silica modified with silicon, silicon oxide, titanium oxide, and germanium oxide for lithium-ion batteries","authors":"Radu Dorin Andrei ,&nbsp;Giorgian Cosmin Ungureanu ,&nbsp;Luisa Roxana Mandoc ,&nbsp;Violeta-Carolina Niculescu ,&nbsp;Jeremy Rodriguez ,&nbsp;Mihaela Ramona Buga ,&nbsp;Athanasios Tiliakos","doi":"10.1016/j.apsadv.2025.100699","DOIUrl":"10.1016/j.apsadv.2025.100699","url":null,"abstract":"<div><div>In this study, SBA-15 mesoporous silica was modified with silicon, silica, titania, and germania particles to prepare composite silica-based anodes for lithium-ion batteries. The materials and the ensuing anodes were extensively characterized at every stage of their synthesis and preparation (BET/BJH, XRD, SAXS, FTIR, SEM, EDX) and the electrochemical performances of the assembled composite anodes were audited by voltammetric and galvanostatic methods to determine their discharge capacities and coulombic efficiencies. The composite anodes, especially Ti/SBA-15 and Ge/SBA-15, displayed stable coulombic efficiencies and gradually increasing capacities with steady trends, with the Ti/SBA-15 anode reaching 240 mAh g<sup>–1</sup> and the Ge/SBA-15 one rising higher at 550 mAh g<sup>–1</sup> after 500 cycles, thus outperforming the Si/SBA-15 anode which, in contrast, reached the high mark of 550 mAh g<sup>–1</sup> within the first 50 cycles but continued with gradually diminishing performance and unstable efficiency. With indications of the underlying driving phenomenon pertaining to electrochemical grinding effects, our work encourages further investigations on the highly probable outcome of much increased lifetimes and higher performances for these types of composite anodes for lithium-ion batteries.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"26 ","pages":"Article 100699"},"PeriodicalIF":7.5,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143130151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A DFT study of lithium intercalation and metallization on oxygen-vacancy containing TiO2(110)
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-28 DOI: 10.1016/j.apsadv.2025.100704
J. Juan, M.G. Sandoval, P. Bechthold, E.A. González, P.V. Jasen
{"title":"A DFT study of lithium intercalation and metallization on oxygen-vacancy containing TiO2(110)","authors":"J. Juan,&nbsp;M.G. Sandoval,&nbsp;P. Bechthold,&nbsp;E.A. González,&nbsp;P.V. Jasen","doi":"10.1016/j.apsadv.2025.100704","DOIUrl":"10.1016/j.apsadv.2025.100704","url":null,"abstract":"<div><div>We investigate the possible adsorption sites for Li on perfect and defective TiO<sub>2</sub>(110) using DFT+U calculations. Two systems with an oxygen di-vacancy are generated and we test the diffusion and the effects of increasing the number of Li in the most stable configurations. The oxygen vacancy in the first and second layers facilitates the diffusion of Li. We found that Li migration is stopped at the bulk-like defect-free layers in the direction normal to the surface. The DOS of the lithiated system shows that the changes take place at the lower end of the conduction band. Li becomes Li<sup>+1</sup>, and the charge density difference diagrams show the redistribution of charge to the neighboring atoms. When Li is intercalated at the (110) surface, the most important change occurs at the Fermi level (E<sub>F</sub>) and is caused by the interaction between Ti 3d and Li 2s orbitals. When N-lithium (N = 1, 2, 3) is considered in the defective system, the bonding order of Li atoms increases with the amount of adsorbed alkali metal atoms. In the case of Li intercalation, the sum of the bond order of all atoms is higher than in the adsorbed case, while for the Li atom, it is almost twice as high. When more Lithium is considered, new Li-O bonds are formed. Ab initio molecular dynamics simulations (AIMD) are performed, to check the stability of the system. This study shows that Li adsorption, intercalation and diffusion is possible for a realistic TiO<sub>2</sub>(110) surface.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"26 ","pages":"Article 100704"},"PeriodicalIF":7.5,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143130009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Robust highly conductive patterns in flexible PEEK materials with either sp3 or sp2 dominant carbon phases produced by using ultrashort laser pulses
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-25 DOI: 10.1016/j.apsadv.2025.100697
Ayesha Sharif , Nazar Farid , Yuhan Liu , Mingqing Wang , Robert G. Palgrave , Gerard M O'Connor
{"title":"Robust highly conductive patterns in flexible PEEK materials with either sp3 or sp2 dominant carbon phases produced by using ultrashort laser pulses","authors":"Ayesha Sharif ,&nbsp;Nazar Farid ,&nbsp;Yuhan Liu ,&nbsp;Mingqing Wang ,&nbsp;Robert G. Palgrave ,&nbsp;Gerard M O'Connor","doi":"10.1016/j.apsadv.2025.100697","DOIUrl":"10.1016/j.apsadv.2025.100697","url":null,"abstract":"<div><div>This study reports ultrashort direct laser writing of highly conductive patterns on 50 µm thick flexible polyether-ether-ketone (PEEK) using two distinctive, electrically conductive regimes confirmed by XPS; an <em>sp<sup>3</sup></em>-carbon dominant regime with minor <em>sp<sup>2</sup></em> contribution (Phase-I) and an <em>sp<sup>2</sup></em>-carbon dominant regime with a small <em>sp<sup>3</sup></em> contribution (Phase-II). Phase-I is produced using a single laser scan strategy with a narrow fluence window. Phase-II is optimally produced using four sequential laser scan passes, each with a specific fluence. The rationale for the first pass was to disrupt carbon atoms, the second and third exposures were to gently modify this disrupted phase, and the fourth pass was to anneal the final structure. No characteristic graphene peaks were observed in Raman spectra for Phase-I, however, this phase surprisingly showed higher conductivity when compared with Phase-II. Raman peaks for graphene were observed for single laser scan passes at higher laser fluences with the onset of surface damage. In Phase-II, PEEK was laser scanned multiple times to transform into <em>sp<sup>2</sup></em> graphene integrated in the form of laser induced periodic surface structures. The lowest sheet resistance obtained was 9.60 Ω/□ and 11.53 Ω/□ corresponding to an electrical conductivity of ∼4.33 × 10<sup>3</sup> S/m and 4.17 × 10<sup>3</sup> S/m for Phase-I and Phase-II, respectively. The reported low-fluence process is significant for direct laser writing of conductive structures on polymers providing a precise and controlled manipulation of carbon configuration to produce components which are not impacted by mechanical friction.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"26 ","pages":"Article 100697"},"PeriodicalIF":7.5,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143130007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improving the charge transport of perovskite nanocrystal light-emitting-diodes through Benzylammonium ligand exchange
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-25 DOI: 10.1016/j.apsadv.2025.100698
Minsik Gong , Dong Gyu Lee , Gwang Yong Shin , Yun Seop Shin , Donghwan Yun , Yunhye Jeong , Sang Wook Park , Chan Beom Park , Yung Jin Yoon , Sung Yong Bae , Yun-Hi Kim , Jin Young Kim , Tae Kyung Lee , Gi-Hwan Kim
{"title":"Improving the charge transport of perovskite nanocrystal light-emitting-diodes through Benzylammonium ligand exchange","authors":"Minsik Gong ,&nbsp;Dong Gyu Lee ,&nbsp;Gwang Yong Shin ,&nbsp;Yun Seop Shin ,&nbsp;Donghwan Yun ,&nbsp;Yunhye Jeong ,&nbsp;Sang Wook Park ,&nbsp;Chan Beom Park ,&nbsp;Yung Jin Yoon ,&nbsp;Sung Yong Bae ,&nbsp;Yun-Hi Kim ,&nbsp;Jin Young Kim ,&nbsp;Tae Kyung Lee ,&nbsp;Gi-Hwan Kim","doi":"10.1016/j.apsadv.2025.100698","DOIUrl":"10.1016/j.apsadv.2025.100698","url":null,"abstract":"<div><div>Lead halide perovskite nanocrystals (LHP NCs) have emerged as promising materials for next-generation display area due to their exceptional luminescence efficiency, size-dependent band gap, and shape control. Ligands on the NC surfaces can be substituted using ligand exchange, which significantly influence the properties and performance of LHP light-emitting diodes (LEDs). The alkyl chain in the surface ligands significantly affect external stimuli depending on their length. Additionally, aromatic ring-containing ligands improve conductivity of the film due to their conjugated structure. Herein, we introduced benzalkonium (BA) to synthesize CsPbBr<sub>3</sub> NCs with high quality and explored ligand their optical and electrical properties. The result is that ligand exchange significantly impacts the LHP NCs' characteristics due to overlapped orbitals between the NC surface and <em>π</em>-bonds of the aromatic ring, enhancing charge injection and transport while reducing surface defects. We confirmed the successful anion exchange, which is bound to ammonium ion of BA and the stability of the LHP NCs through various analyses. The modified LHP NCs improved photoluminescence quantum yield and narrower full width at half maximum, indicating improved material purity. This study highlights the potential of ligand exchange to customize LHP NCs’ properties, paving the way for the development of high-efficiency blue LHP LEDs, and other advanced optoelectronic devices. As results, the LHP LEDs using these ligand-exchanged LHP NCs, achieving a notable increase maximum current efficiency (CE<sub>max</sub>,) to 5.88 %, 19.5 cd A<sup>-1</sup> at BA bromide, and 5.50 %, 16.6 cd A<sup>-1</sup> at BA chloride, compared to devices using pristine LHP NCs, which achieved external quantum efficiency (EQE) 2.4 %, CE<sub>max</sub> 7.8 cd A<sup>-1</sup>.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"26 ","pages":"Article 100698"},"PeriodicalIF":7.5,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143130008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dual-functional passivation on highly-efficient air-processed FAPbI₃ perovskite solar cells fabricated under high humidity without auxiliary equipment
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-01 DOI: 10.1016/j.apsadv.2024.100683
Bo-Tau Liu , His-Sheng Su , I-Ru Chen , Rong-Ho Lee , Yi-Fang Su , Kai-Ting Sun , Shoaib Siddique
{"title":"Dual-functional passivation on highly-efficient air-processed FAPbI₃ perovskite solar cells fabricated under high humidity without auxiliary equipment","authors":"Bo-Tau Liu ,&nbsp;His-Sheng Su ,&nbsp;I-Ru Chen ,&nbsp;Rong-Ho Lee ,&nbsp;Yi-Fang Su ,&nbsp;Kai-Ting Sun ,&nbsp;Shoaib Siddique","doi":"10.1016/j.apsadv.2024.100683","DOIUrl":"10.1016/j.apsadv.2024.100683","url":null,"abstract":"<div><div>Formamidinium lead triiodide (FAPbI<sub>3</sub>) perovskite has garnered significant attention due to its narrow bandgap and excellent thermal stability. However, the photo-active <em>α</em>-phase FAPbI<sub>3</sub> suffers the poor structural stability, easily transforming to photo-inactive <em>δ</em>-phase FAPbI<sub>3</sub> at room temperature, a process that is accelerated by the moisture. While numerous methods have been proposed to address this issue, most efforts have relied on glove-box conditions, substrate heating, or air-knife flow. To date, few studies have reported a strategy for fabricating highly efficient FAPbI<sub>3</sub> perovskite solar cells (PSCs) under humid conditions. In this study, we are the first to demonstrate the fabrication of FAPbI<sub>3</sub> PSCs using a one-step solution deposition method in a relative humidity of 70 % without the need for auxiliary processes or equipment, achieved through the addition of a highly volatile solvent and the incorporation of methacrylic acid (MAA) into the perovskite layer. The addition of the volatile solvent enables the fabrication of FAPbI<sub>3</sub> perovskite in a high-moisture environment without adversely affecting the phase transformation process. The MAA incorporation not only decreases pinholes in the perovskite layer but also passivates the deep-level defects through the interaction of carboxyl groups with formamidinium cations, resulting in a low trap-state density, high charge recombination resistance, and long charge lifetime. The thermal treatment used for phase transformation of the perovskite also induces the polymerization of MAA, which further improves the long-term stability of PSCs. This dual-functional passivation approach enables PSCs to achieve high power conversion efficiency, surpassing many previously reported values for PSCs fabricated without additional processes or specialized equipment, even under highly humid conditions.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"25 ","pages":"Article 100683"},"PeriodicalIF":7.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Water-repellent and self-repairing capabilities integration: Enhancing longevity and practicality of fabric-based flexible devices 防水和自我修复功能一体化:提高织物柔性设备的使用寿命和实用性
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-01 DOI: 10.1016/j.apsadv.2024.100691
Su Bin Choi , Youngmin Kim , Jong-Woong Kim
{"title":"Water-repellent and self-repairing capabilities integration: Enhancing longevity and practicality of fabric-based flexible devices","authors":"Su Bin Choi ,&nbsp;Youngmin Kim ,&nbsp;Jong-Woong Kim","doi":"10.1016/j.apsadv.2024.100691","DOIUrl":"10.1016/j.apsadv.2024.100691","url":null,"abstract":"<div><div>This study delineates the development of a versatile and flexible heater achieved through the sequential coating of polycaprolactone (PCL) fibers with MXene, silver nanowires (AgNW), and Aerosil/polydimethylsiloxane (AP). The primary innovation of this research lies in the concurrent realization of self-healability at low temperatures and exceptional mechanical flexibility, biocompatibility, and robust superhydrophobicity-based waterproof properties. PCL, recognized for its biocompatibility, demonstrates self-healing capabilities under mild thermal conditions, while the MXene layer mitigates damage and deformation during the healing process by providing thermal stability and efficient heat dissipation. AgNW significantly enhances electrical conductivity, thereby facilitating efficient Joule heating. The AP layer, introduced for the first time in wearable fibrous devices, imparts superior water-repellent properties by forming a hydrophobic surface that repels water and prevents moisture penetration, effectively safeguarding the electrode material from humid environments and acidic solutions. Comprehensive evaluations indicate that the heater maintains stable electrical and thermal properties, even after enduring 50,000 cycles of bending at a radius of curvature of 500 μm, 100 h of washing, and multiple cycles of cutting and healing. The fabric-based heaters were seamlessly integrated into commercially available arm sleeves, preserving their heating functionality despite being subjected to bending motions.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"25 ","pages":"Article 100691"},"PeriodicalIF":7.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143181989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Functionalized epoxy resins for enhanced interface properties and corrosion resistance: Tailoring of surface and interface properties and performance 功能化环氧树脂可增强界面性能和耐腐蚀性:定制表面和界面特性及性能
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-01 DOI: 10.1016/j.apsadv.2024.100685
Chandrabhan Verma , Kyong Yop Rhee , Akram Alfantazi
{"title":"Functionalized epoxy resins for enhanced interface properties and corrosion resistance: Tailoring of surface and interface properties and performance","authors":"Chandrabhan Verma ,&nbsp;Kyong Yop Rhee ,&nbsp;Akram Alfantazi","doi":"10.1016/j.apsadv.2024.100685","DOIUrl":"10.1016/j.apsadv.2024.100685","url":null,"abstract":"<div><div>The use of functionalized epoxy resins (FERs) to improve corrosion resistance in various industrial applications has grown. Covalent and noncovalent modifications are the two main techniques for functionalizing epoxy resins. The addition of hydroxyl (‒OH), amino (‒NH<sub>2</sub>), or carboxyl (‒COOH) groups through covalent functionalization to the ERs enhances their reactivity, adhesion, and solubility of epoxy resins. Noncovalent functionalization entails adding nanomaterials such as metals, metal oxides, and carbon allotropes to the resin matrix. Functionalized ERs are more effective anti-corrosive materials in the aqueous phase and the coating. Growing solubility and more polar functional groups are responsible for FERs' improved potential to guard against corrosion in the aqueous phase. Mechanical strength, chemical and thermal stability, and corrosion resistance are traits that these alterations improve. Significant improvements in corrosion resistance have been demonstrated when epoxy resin coatings with inorganic (TiO<sub>2</sub>, CeO<sub>2</sub>, SiO<sub>2</sub>, Al<sub>2</sub>O<sub>3</sub>, h-BN, lanthanides, etc.) and organic (G, GO, CNTs, PANI, MXenes, MOFs, PDA, BIM, LDH, polymers, etc.) additives are used. The curing agents greatly influence the efficiency of the functionalized epoxy resins. The curing environment and agent type directly affect the resin's mechanical, thermal, and chemical properties. The adhesion qualities of epoxy resins can be significantly improved by functionalized curing agents, such as those treated with silane. The present article describes the corrosion protection behavior of FERs in aqueous and coating phases and their current challenges and opportunities.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"25 ","pages":"Article 100685"},"PeriodicalIF":7.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143183408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analysis and 3D modelling of percolated conductive networks in nanoparticle-based thin films 纳米粒子薄膜中的渗流导电网络分析与三维建模
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-01 DOI: 10.1016/j.apsadv.2024.100689
Stanislav Haviar , Benedikt Prifling , Tomáš Kozák , Kalyani Shaji , Tereza Košutová , Šimon Kos , Volker Schmidt , Jiří Čapek
{"title":"Analysis and 3D modelling of percolated conductive networks in nanoparticle-based thin films","authors":"Stanislav Haviar ,&nbsp;Benedikt Prifling ,&nbsp;Tomáš Kozák ,&nbsp;Kalyani Shaji ,&nbsp;Tereza Košutová ,&nbsp;Šimon Kos ,&nbsp;Volker Schmidt ,&nbsp;Jiří Čapek","doi":"10.1016/j.apsadv.2024.100689","DOIUrl":"10.1016/j.apsadv.2024.100689","url":null,"abstract":"<div><div>A methodology to model the percolated conductive network in nanoparticle-based thin films, synthesized by means of a magnetron-based gas aggregation source, was developed and validated. Two differently sized copper oxide nanoparticles were produced by varying the diameter of the exit orifice. Comprehensive characterization of these films was performed using scanning electron microscopy, transmission electron microscopy, small-angle X-ray scattering and X-ray diffraction to determine particle morphology, size distribution, porosity, vertical density profiles, and phase composition. Using the experimental data, virtual films were generated through a data-driven stochastic 3D microstructure model that is based on a sphere packing algorithm, where the particle size distribution, porosity and vertical density profile are taken into account. The generated 3D structures have been then refined to cover the effect of oxidation of as-deposited nanoparticles and non-zero roughness of real films. A computational model incorporating a simplified adsorption model was developed to simulate the effects of oxygen adsorption on the surface conductivity of the nanoparticles. Then, the electrical conductivity of the percolated networks in these virtual structures was computed using the finite element method for various partial oxygen pressures. Simulated resistivity values were compared with experimental measurements obtained from four-point probe resistivity measurements conducted under varying oxygen partial pressures at 150<!--> <!-->°C A discussion of the validity of the model and its ability to cover qualitatively and quantitatively the observed behaviour is included.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"25 ","pages":"Article 100689"},"PeriodicalIF":7.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preface - Hot Topics in Surfaces Science: Laser-assisted functionalization and nano/micro-processing of advanced material
IF 7.5
Applied Surface Science Advances Pub Date : 2025-01-01 DOI: 10.1016/j.apsadv.2024.100677
Alberto Pique , Juan Marcos Fernández Pradas , Valentina Carmen Dinca , Maria Dinescu
{"title":"Preface - Hot Topics in Surfaces Science: Laser-assisted functionalization and nano/micro-processing of advanced material","authors":"Alberto Pique ,&nbsp;Juan Marcos Fernández Pradas ,&nbsp;Valentina Carmen Dinca ,&nbsp;Maria Dinescu","doi":"10.1016/j.apsadv.2024.100677","DOIUrl":"10.1016/j.apsadv.2024.100677","url":null,"abstract":"","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"25 ","pages":"Article 100677"},"PeriodicalIF":7.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143183266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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