Applied Surface Science Advances最新文献

Eliminating surface charging in X-ray photoelectron spectroscopy of insulators for reliable bonding assignments 消除绝缘体 X 射线光电子能谱中的表面电荷，实现可靠的键合分配

IF 7.5

Applied Surface Science Advances Pub Date : 2024-11-15 DOI: 10.1016/j.apsadv.2024.100659

Grzegorz Greczynski, Jun Lu, Vladyslav Rogoz, Lars Hultman

{"title":"Eliminating surface charging in X-ray photoelectron spectroscopy of insulators for reliable bonding assignments","authors":"Grzegorz Greczynski, Jun Lu, Vladyslav Rogoz, Lars Hultman","doi":"10.1016/j.apsadv.2024.100659","DOIUrl":"10.1016/j.apsadv.2024.100659","url":null,"abstract":"<div><div>Sample charging during X-ray photoelectron spectroscopy analyses of electrically insulating samples is a widely recognized challenge of this essential technique. If the electron loss caused by the photoelectric effect is not compensated due to specimens’ poor electrical conductivity, the positive charge building up in the surface region results in an uncontrolled shift of detected core level peaks to higher binding energy (BE). This seriously complicates chemical bonding assignment, which is based on measured peak positions, and accounts for a large spread in reported core level BE values. Here, we show that peaks from several industry-relevant oxides, serving as model insulators, typically displaced by several eV due to charging, shift back to positions characteristic of electrically-neutral samples following <em>ex-situ</em> capping with a few nm thick metallic layer with low affinity to oxygen. The effect is present only if the capping layers contain sufficiently large non-oxidized volume that provides long-range conduction paths to grounded Cu clamps, while being thin enough to allow for recording high quality spectra from the underlying insulators. The versatility of the charging elimination is demonstrated for different oxides/cap combinations, air exposure times, and sample types (including thin film and bulk specimens).</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"24 ","pages":"Article 100659"},"PeriodicalIF":7.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661442","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 Surface Science: Z/S-scheme heterojunctions for photocatalytic applications 序言 - 表面科学热点话题：用于光催化应用的 Z/S 型异质结

IF 7.5

Applied Surface Science Advances Pub Date : 2024-11-15 DOI: 10.1016/j.apsadv.2024.100658

Akbar Mohammad , Mohamed Bouodina , S. Girish Kumar

引用次数: 0

The formation of calcium glycerolate as an active species in the synthesis of biodiesel. A DFT study 甘油酸钙作为生物柴油合成过程中的活性物质的形成。DFT 研究

IF 7.5

Applied Surface Science Advances Pub Date : 2024-11-11 DOI: 10.1016/j.apsadv.2024.100657

A․J․González Fá , P. Bechthold , A. Juan , J.M. Marchetti

{"title":"The formation of calcium glycerolate as an active species in the synthesis of biodiesel. A DFT study","authors":"A․J․González Fá , P. Bechthold , A. Juan , J.M. Marchetti","doi":"10.1016/j.apsadv.2024.100657","DOIUrl":"10.1016/j.apsadv.2024.100657","url":null,"abstract":"<div><div>Numerous studies have reported that the addition of glycerol at the onset of an oil transesterification reaction with methanol, catalyzed by CaO, significantly accelerates the reaction. The role of glycerol, which is also a reaction product, is not yet fully understood. The formation of glycerolate structures, in both solid and polymeric forms, has been proposed to actively contribute to the reaction rate. In previous works, we have simulated the formation of incipient OH and ethoxide species on the CaO during ethanol adsorption, and bidentate species between formic acid and the surface. In the present work we have investigated, using DFT-based simulations, the possible initial stages in the formation of glycerolate on CaO (001) surfaces. Our results indicate the bonding of two OHs from glycerol with the surface. We also detected the possible rupture of these OHs by a strong decrease in the bonding order (BO), up to 75%. At the same time, the formation of O<sub>glycerol</sub>―Ca bonds and the decrease in the BO of the surface Ca―O bonds of up to 61% are detected. A charge transfer from the surface to the molecule is also observed. Additionally, a detailed analysis of the changes in the geometry and electronic structure of the glycerol and the surface before and after adsorption is conducted.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"24 ","pages":"Article 100657"},"PeriodicalIF":7.5,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661441","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

Microstructural characterization and corrosion analysis of HA/TiO2 and HA/ZrO2 composite coating on Ti- alloy by laser cladding 激光熔覆 Ti- 合金上 HA/TiO2 和 HA/ZrO2 复合涂层的微结构表征和腐蚀分析

IF 7.5

Applied Surface Science Advances Pub Date : 2024-11-08 DOI: 10.1016/j.apsadv.2024.100655

Renu Kumari , Sumit Kumar , Alok Kumar Das , Ananad Mohan Murmu , Kumari Kanchan

{"title":"Microstructural characterization and corrosion analysis of HA/TiO2 and HA/ZrO2 composite coating on Ti- alloy by laser cladding","authors":"Renu Kumari , Sumit Kumar , Alok Kumar Das , Ananad Mohan Murmu , Kumari Kanchan","doi":"10.1016/j.apsadv.2024.100655","DOIUrl":"10.1016/j.apsadv.2024.100655","url":null,"abstract":"<div><div>Titanium alloy implants release metallic ions into the bloodstream and high corrosion rate in physiological environment due to change in pH level. Here in, bio-ceramic HA coating and HA based binary composite coating (HA/TiO<sub>2</sub> and HA/ZrO<sub>2</sub>) have been developed on Ti-6Al-4 V alloy for improvement in corrosion resistance and reduction in the metal ion release. In this study, HA, HA/TiO<sub>2</sub>, and HA/ZrO<sub>2</sub> coating have been developed by using a 400 W, 1070 nm fiber laser cladding process. Microstructural characterization was performed using 3D-optical profilometer, FESEM, EDS, and XRD, while electrochemical properties were analyzed in simulated body fluid. The Ca/P ratio indicated HA decomposition into calcium phosphate during the laser process. Phase analysis identified α-Ti, Ca<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, TiO<sub>2</sub>, and CaTiO<sub>3</sub> in HA/TiO<sub>2</sub> cladding, and α-Ti, Ca<sub>3</sub>(PO<sub>4</sub>)<sub>2</sub>, Ca<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, TiO<sub>2</sub>, CaTiO<sub>3</sub>, and CaZrO<sub>3</sub> in HA/ZrO<sub>2</sub> cladding. The analysis revealed that HA-based composite cladding produced a more corrosion resistant surface as compared to HA cladding and Ti-6Al-4 V alloy. However, HA/TiO<sub>2</sub> composite cladding significantly reduced corrosion current density, corrosion rate and increasing polarization resistance.</div><div>From the obtained results it is concluded that HA/ TiO<sub>2</sub> and HA/ ZrO<sub>2</sub> composite coating developed by laser cladding process, give cracks free structure and significantly decreased corrosion rate as compared to HA coating. This composite coating would be beneficial for improving orthopedic implant performance, and long-term durability.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"24 ","pages":"Article 100655"},"PeriodicalIF":7.5,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661444","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

Nano-Surface Coatings-Inorganic and Organic Nano-Surface Coatings for Food Packaging and Dentistry 纳米表面涂层-用于食品包装和牙科的无机和有机纳米表面涂层

IF 7.5

Applied Surface Science Advances Pub Date : 2024-11-06 DOI: 10.1016/j.apsadv.2024.100653

Kandasamy Saravanakumar , Hafiz M.N. Iqbal , Myeong-Hyeon Wang

引用次数: 0

Performance analysis of turning operation parameters empirically on Delrin 根据经验对 Delrin 车削操作参数进行性能分析

IF 7.5

Applied Surface Science Advances Pub Date : 2024-11-01 DOI: 10.1016/j.apsadv.2024.100652

B. Sureshkumar , G. Navaneethakrishnan , S. Vidyasagar , R. Palanisamy , Subhashree Choudhury

{"title":"Performance analysis of turning operation parameters empirically on Delrin","authors":"B. Sureshkumar , G. Navaneethakrishnan , S. Vidyasagar , R. Palanisamy , Subhashree Choudhury","doi":"10.1016/j.apsadv.2024.100652","DOIUrl":"10.1016/j.apsadv.2024.100652","url":null,"abstract":"<div><div>Delrin is the best additional material for metals because of its inherent qualities, such as great wear resistance and tensile strength. The main aim of this work is to investigate how independent variables like feed rate, spindle speed, and depth of cut are significant for dependent variables such as surface roughness, temperature, stresses, and material removal rate on novel material Delrin. The independent variable ranges are selected based on tool and workpiece material combinations and machine tool specification as spindle speed 230 – 844 rpm, feed rate 0.5 – 1.5 mm/rev, and depth of cut 1 – 3 mm. Based on the L27 orthogonal array experimental plan 27 numbers of experiments are conducted by the design of experiment concepts. The theoretical investigation through response surface methodology is also conducted to establish how independent variables affected dependent variables when Delrin was being machined. The independent variable's significance is determined by the ANOVA table for all the considered responses. In addition to the considered flow of work, the experiential model is developed by the utilization of regression analysis. The developed models are confirmed by experimental data and the models have the best validation results with the experimental results.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"24 ","pages":"Article 100652"},"PeriodicalIF":7.5,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571493","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

Surface Engineered 2D Materials based Platforms for Advanced Technologies 基于表面工程二维材料的先进技术平台

IF 7.5

Applied Surface Science Advances Pub Date : 2024-11-01 DOI: 10.1016/j.apsadv.2024.100654

Avtar Singh , Ajeet Kaushik

引用次数: 0

The essential synergy between experiments and theory in applied surface science 应用表面科学中实验与理论的重要协同作用

IF 7.5

Applied Surface Science Advances Pub Date : 2024-10-30 DOI: 10.1016/j.apsadv.2024.100651

Alfredo Juan

引用次数: 0

Manufacturing and properties characterization of Ti patterned coatings for water electrolyzers by CSAM 利用 CSAM 分析水电解槽钛花纹涂层的制造和性能特征

IF 7.5

Applied Surface Science Advances Pub Date : 2024-10-25 DOI: 10.1016/j.apsadv.2024.100649

Andrea Garfias , María Sarret , Javier Sánchez , Irene G. Cano , Vicente Albaladejo-Fuentes , Teresa Andreu

{"title":"Manufacturing and properties characterization of Ti patterned coatings for water electrolyzers by CSAM","authors":"Andrea Garfias , María Sarret , Javier Sánchez , Irene G. Cano , Vicente Albaladejo-Fuentes , Teresa Andreu","doi":"10.1016/j.apsadv.2024.100649","DOIUrl":"10.1016/j.apsadv.2024.100649","url":null,"abstract":"<div><div>This work investigates the microstructure and manufacturing control of the masked Cold Spray Additive Manufacturing (CSAM) strategy for producing of new bipolar plates (BPPs) for Proton Exchange Membrane (PEM) electrolyzers, using low-cost, lightweight, and machinable materials. CSAM is a solid-state process capable of fabricating 3D patterned parts based on a bottom-up approach using masks with a desired pattern. This study focuses on the dimensional and microstructural characteristics of pin fins fabricated with spherical (Ti-S) and irregular (Ti-I) Ti powders using the masked CSAM technology. Additionally, the performance of both Ti parts for its application in PEM electrolyzers was evaluated in terms of corrosion resistance and interfacial contact resistance (ICR). The results demonstrated that the masked CSAM technology allowed precise control and customization of the dimensions of the 3D-printed pin fins, obtaining porosity values of 6 ± 1 % for Ti-S and 4 ± 1 % for Ti-I. The evaluation of the corrosion resistance of the CSAM Ti patterned parts showed that for both Ti-S and Ti-I powders a stable oxide film at the typical operation potential (1.8 V vs Ag/AgCl) of a PEM water electrolyzer was formed without signs of pitting corrosion. Finally, at a compaction pressure of 150 N/cm<sup>2</sup> ICR values of 42 ± 19, 40 ± 13, and 24 ± 7 mΩ·cm<sup>2</sup> were obtained for Ti-I, Ti-S, and standard Ti Bulk, respectively. The results suggest than the masked CSAM technology shows great potential for the fabrication of Ti BPPs.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"24 ","pages":"Article 100649"},"PeriodicalIF":7.5,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528419","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

Exploring the role of edges in surface functionalization and stability of plasma-modified carbon materials: Experimental and DFT insights 探索边缘在等离子体改性碳材料的表面功能化和稳定性中的作用：实验和 DFT 见解

IF 7.5

Applied Surface Science Advances Pub Date : 2024-10-23 DOI: 10.1016/j.apsadv.2024.100648

Divya Kumar, Marek Białoruski, Witold Piskorz, Andrzej Kotarba

{"title":"Exploring the role of edges in surface functionalization and stability of plasma-modified carbon materials: Experimental and DFT insights","authors":"Divya Kumar, Marek Białoruski, Witold Piskorz, Andrzej Kotarba","doi":"10.1016/j.apsadv.2024.100648","DOIUrl":"10.1016/j.apsadv.2024.100648","url":null,"abstract":"<div><div>Effective surface functionalization of carbon nanomaterials plays a crucial role in various applications. We investigated the impact of edges on surface functionalization and stability of oxygen-modified carbon materials using a combination of experimental techniques and Density Functional Theory (DFT) insights. Graphenic paper, highly oriented pyrolytic graphite (HOPG), and graphenic flakes were employed as model systems, with oxygen plasma treatment (generator power 100 W, oxygen pressure 0.2 mbar, exposure time 6 – 300 s) serving as the modification method. Surface morphology and chemical composition were characterized using scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. The results revealed the introduction of oxygen functional groups on the investigated carbon surfaces (up to 20 at % by XPS) whereas; the structural integrity of the materials remained intact upon plasma modification (SEM, Raman). Work function was used as a sensitive parameter for monitoring the surface changes (increase by ∼1.4 eV, 1.3 eV, and 1 eV for graphenic paper, HOPG, and graphenic flakes, respectively) while time-dependent measurements revealed distinct kinetic processes governing the decay of functionalization, highlighting the role of surface defects in post-plasma processes. DFT calculations provided molecular-level insights into the surface processes, elucidating the mechanisms underlying the diffusion of hydroxyls, their recombination, and water desorption. Since the calculated activation barrier for recombination on basal graphenic planes (∼1.0 eV) and edges (∼5.5 eV) are distinctly different, it can be thus concluded that the persistent functionalization is due to the surface edges. Our findings contribute to a deeper understanding of surface modification processes of carbon materials and offer rationales for the design of advanced functional nanomaterials with tailored surface properties.</div></div>","PeriodicalId":34303,"journal":{"name":"Applied Surface Science Advances","volume":"24 ","pages":"Article 100648"},"PeriodicalIF":7.5,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528418","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