Pub Date : 2025-02-22DOI: 10.1007/s00107-025-02215-1
Iveta Čabalová, Jozef Krilek, Tatiana Bubeníková, Ivan Ružiak, Miroslav Nemec, Seng Hua Lee, Muhammad Adly Rahandi Lubis, Anna Darabošová, Vladimír Mancel, Lubos Kristak, Luigi Todaro, Valentina Lo Giudice
The objective of this work was to investigate the selected properties of particleboard (PB) containing waste rubber – a mixture of carpets and isolators (GWR) and tires (GWT) from discarded automobiles. Mechanical (tensile strength (IB), bending strength (BS), physical (water absorption (WA), thickness swelling (TS) after 2 and 24 h of immersion), chemical (volatile compounds - VOC using GC-MS method), thermo-physical (thermal conductivity and diffusivity, specific heat capacity) and sound absorption coefficient were analyzed. In addition, a density profile and microscopic analysis of the particleboards were performed. The addition of 10% rubber to the PB either maintains the IB or improves the BS of the composite. The best results for WA after 24 h (97.94%) and TS after 24 h (30.74%) were achieved for composites containing tire granulates. For this reason, these PBs are the most suitable for utilization in areas with higher humidity. Adding 20% of GWR to PB decreased the total content of VOC emissions by 85% so it can be stated that the rubber probably acts as a VOC sorbent. Control PBs had significantly lower thermal conductivity and diffusivity, and comparable specific heat capacity values than PBs containing GWR and GWT. The best sound insulation properties were obtained for PBs containing 20% of GWR. Microscopic analysis pointed to greater GWT and GWR contents resulting in higher C content in the PB. All PBs containing GWR have a higher mean density compared to that of control, ranging from 597 kg·m−3 to 615 kg·m−3. On the other hand, PB containing GWT had comparable or lower density values.
{"title":"Utilization of waste tire and rubber from automobiles in the manufacturing of particleboards and evaluation of its properties","authors":"Iveta Čabalová, Jozef Krilek, Tatiana Bubeníková, Ivan Ružiak, Miroslav Nemec, Seng Hua Lee, Muhammad Adly Rahandi Lubis, Anna Darabošová, Vladimír Mancel, Lubos Kristak, Luigi Todaro, Valentina Lo Giudice","doi":"10.1007/s00107-025-02215-1","DOIUrl":"10.1007/s00107-025-02215-1","url":null,"abstract":"<div><p>The objective of this work was to investigate the selected properties of particleboard (PB) containing waste rubber – a mixture of carpets and isolators (GWR) and tires (GWT) from discarded automobiles. Mechanical (tensile strength (IB), bending strength (BS), physical (water absorption (WA), thickness swelling (TS) after 2 and 24 h of immersion), chemical (volatile compounds - VOC using GC-MS method), thermo-physical (thermal conductivity and diffusivity, specific heat capacity) and sound absorption coefficient were analyzed. In addition, a density profile and microscopic analysis of the particleboards were performed. The addition of 10% rubber to the PB either maintains the IB or improves the BS of the composite. The best results for WA after 24 h (97.94%) and TS after 24 h (30.74%) were achieved for composites containing tire granulates. For this reason, these PBs are the most suitable for utilization in areas with higher humidity. Adding 20% of GWR to PB decreased the total content of VOC emissions by 85% so it can be stated that the rubber probably acts as a VOC sorbent. Control PBs had significantly lower thermal conductivity and diffusivity, and comparable specific heat capacity values than PBs containing GWR and GWT. The best sound insulation properties were obtained for PBs containing 20% of GWR. Microscopic analysis pointed to greater GWT and GWR contents resulting in higher C content in the PB. All PBs containing GWR have a higher mean density compared to that of control, ranging from 597 kg·m<sup>−3</sup> to 615 kg·m<sup>−3</sup>. On the other hand, PB containing GWT had comparable or lower density values.</p></div>","PeriodicalId":550,"journal":{"name":"European Journal of Wood and Wood Products","volume":"83 2","pages":""},"PeriodicalIF":2.4,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00107-025-02215-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1134/S1067821224700044
N. V. Nemchinova, A. A. Zaitseva
The aim is to conduct research in the field of hydrometallurgical refining of metallurgical silicon. The object of research was metallurgical silicon after oxidative refining from AO Kremnii, part of the United Company RUSAL (Shelekhov, Irkutsk oblast, Russia). The chemical composition of the obtained samples was studied by X-ray fluorescence analysis and X-ray spectral microanalysis. According to elemental analysis, metallurgical silicon contains (wt %) 0.53Al, 0.6094Fe, 0.0491Ti, 0.0628Ca, 0.0066V, 0.002Cr, 0.014Mn, 0.003Cu, 0.010P, 0.007Ba, 0.007Ni, 0.002Zn. It is shown that intermetallic compounds of the following composition were recorded in the studied samples: AlFeSi2 (with an admixture of Ca), FeSi2 (with an admixture of Al), FeSi2Ti (with an admixture of Zr). To reduce the content of impurities in silicon, we selected the following acids as solvents: 10% H2SO4, HCl, and HNO3, as well as 4% HF in various ratios. To study the possibility of reactions of interaction of intermetallic compounds with selected solvents, the values of the Gibbs energy change, which had negative values, were calculated. Experimental leaching of impurities was conducted on silicon samples with particle sizes of –200 μm under constant stirring using a magnetic stirrer. The process parameters included a temperature of 60°C, a liquid-to-solid ratio of 5 : 1, and a purification duration of 60 min. It was found that using a solvent mixture of sulfuric and hydrofluoric acids in a 1 : 1 ratio achieved the highest degree of silicon purification, with an impurity removal rate of 86.85%. It is shown that when using a mixture of sulfuric and hydrochloric acids in a ratio of 1 : 3, the degree of purification of metallurgical silicon was 41.48%. In this way, solvents that enable maximum purification of silicon from impurity elements were identified.
{"title":"Improving the Quality of Metallurgical-Grade Silicon by Acid Leaching","authors":"N. V. Nemchinova, A. A. Zaitseva","doi":"10.1134/S1067821224700044","DOIUrl":"10.1134/S1067821224700044","url":null,"abstract":"<p>The aim is to conduct research in the field of hydrometallurgical refining of metallurgical silicon. The object of research was metallurgical silicon after oxidative refining from AO Kremnii, part of the United Company RUSAL (Shelekhov, Irkutsk oblast, Russia). The chemical composition of the obtained samples was studied by X-ray fluorescence analysis and X-ray spectral microanalysis. According to elemental analysis, metallurgical silicon contains (wt %) 0.53Al, 0.6094Fe, 0.0491Ti, 0.0628Ca, 0.0066V, 0.002Cr, 0.014Mn, 0.003Cu, 0.010P, 0.007Ba, 0.007Ni, 0.002Zn. It is shown that intermetallic compounds of the following composition were recorded in the studied samples: AlFeSi<sub>2</sub> (with an admixture of Ca), FeSi<sub>2</sub> (with an admixture of Al), FeSi<sub>2</sub>Ti (with an admixture of Zr). To reduce the content of impurities in silicon, we selected the following acids as solvents: 10% H<sub>2</sub>SO<sub>4</sub>, HCl, and HNO<sub>3</sub>, as well as 4% HF in various ratios. To study the possibility of reactions of interaction of intermetallic compounds with selected solvents, the values of the Gibbs energy change, which had negative values, were calculated. Experimental leaching of impurities was conducted on silicon samples with particle sizes of –200 μm under constant stirring using a magnetic stirrer. The process parameters included a temperature of 60°C, a liquid-to-solid ratio of 5 : 1, and a purification duration of 60 min. It was found that using a solvent mixture of sulfuric and hydrofluoric acids in a 1 : 1 ratio achieved the highest degree of silicon purification, with an impurity removal rate of 86.85%. It is shown that when using a mixture of sulfuric and hydrochloric acids in a ratio of 1 : 3, the degree of purification of metallurgical silicon was 41.48%. In this way, solvents that enable maximum purification of silicon from impurity elements were identified.</p>","PeriodicalId":765,"journal":{"name":"Russian Journal of Non-Ferrous Metals","volume":"65 1","pages":"59 - 67"},"PeriodicalIF":0.6,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The insufficient mechanical performance of Ag poses a critical challenge for its application as an electrical contact material. In this study, a strategy was developed that employed severe plastic deformation to design a strong and ductile 3 vol% MXene/Ag matrix composite. Multilayer MXene was randomly incorporated into an Ag matrix via a heteroagglomeration process and spark plasma sintering. After hot extrusion, the MXene became preferentially oriented along a single direction owing to the metallic plastic flow. Moreover, the high shear stress exerted by the Ag matrix facilitated the exfoliation of the accordion-like MXene, resulting in a reduced thickness. Consequently, the tensile strength and elongation of the hot-extruded MXene/Ag composite improved by 59 % and 676 %, respectively, primarily due to the prevention of delamination between adjacent accordion flakes and the enhanced strengthening contribution of MXene. This study demonstrated the fabrication of high-performance Ag-based composites by leveraging the exceptional properties of two-dimensional MXene and the intrinsic features of the consolidation process.
{"title":"Severe plastic deformation promoted simultaneous enhancement in strength and ductility of multilayer MXene/Ag matrix composites","authors":"Yunsong Xu , Weiwei Zhou , Li-Fu Yi , Itsuki Kubo , Zhenxing Zhou , Zhong-Chun Chen , Naoyuki Nomura","doi":"10.1016/j.scriptamat.2025.116612","DOIUrl":"10.1016/j.scriptamat.2025.116612","url":null,"abstract":"<div><div>The insufficient mechanical performance of Ag poses a critical challenge for its application as an electrical contact material. In this study, a strategy was developed that employed severe plastic deformation to design a strong and ductile 3 vol% MXene/Ag matrix composite. Multilayer MXene was randomly incorporated into an Ag matrix via a heteroagglomeration process and spark plasma sintering. After hot extrusion, the MXene became preferentially oriented along a single direction owing to the metallic plastic flow. Moreover, the high shear stress exerted by the Ag matrix facilitated the exfoliation of the accordion-like MXene, resulting in a reduced thickness. Consequently, the tensile strength and elongation of the hot-extruded MXene/Ag composite improved by 59 % and 676 %, respectively, primarily due to the prevention of delamination between adjacent accordion flakes and the enhanced strengthening contribution of MXene. This study demonstrated the fabrication of high-performance Ag-based composites by leveraging the exceptional properties of two-dimensional MXene and the intrinsic features of the consolidation process.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"261 ","pages":"Article 116612"},"PeriodicalIF":5.3,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143465294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1021/acsenergylett.5c00004
Se Hwan Park, Abhinand Ayyaswamy, Jonathan Gjerde, W. Beck Andrews, Bairav S. Vishnugopi, Michael Drakopoulos, Nghia T. Vo, Zhong Zhong, Katsuyo Thornton, Partha P. Mukherjee, Kelsey B. Hatzell
Lithium-reservoir-free solid-state batteries can fail due to electrical shorting as a result of fracture and lithium metal filament formation. Mechanical stress at the solid electrolyte surface can induce fractures, which promote lithium filament growth. This stress arises from both electrochemical sources, due to lithium electrodeposition, and mechanical sources, such as external stack pressure. Solid electrolyte surface roughness and the applied stack pressure together affect stress development. This study combines electrochemical experiments, 3D synchrotron imaging, and mesoscale modeling to explore how stack pressure influences failure mechanisms in lithium free solid-state batteries. At low stack pressure, irregular lithium plating and the resulting high local current density drive failure. At higher stack pressure, uniform lithium plating is favored; however, notch-like features in the surface of the solid electrolyte experience high tensile stress, leading to fractures that cause premature short-circuiting.
{"title":"Filament-Induced Failure in Lithium-Reservoir-Free Solid-State Batteries","authors":"Se Hwan Park, Abhinand Ayyaswamy, Jonathan Gjerde, W. Beck Andrews, Bairav S. Vishnugopi, Michael Drakopoulos, Nghia T. Vo, Zhong Zhong, Katsuyo Thornton, Partha P. Mukherjee, Kelsey B. Hatzell","doi":"10.1021/acsenergylett.5c00004","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00004","url":null,"abstract":"Lithium-reservoir-free solid-state batteries can fail due to electrical shorting as a result of fracture and lithium metal filament formation. Mechanical stress at the solid electrolyte surface can induce fractures, which promote lithium filament growth. This stress arises from both electrochemical sources, due to lithium electrodeposition, and mechanical sources, such as external stack pressure. Solid electrolyte surface roughness and the applied stack pressure together affect stress development. This study combines electrochemical experiments, 3D synchrotron imaging, and mesoscale modeling to explore how stack pressure influences failure mechanisms in lithium free solid-state batteries. At low stack pressure, irregular lithium plating and the resulting high local current density drive failure. At higher stack pressure, uniform lithium plating is favored; however, notch-like features in the surface of the solid electrolyte experience high tensile stress, leading to fractures that cause premature short-circuiting.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"11 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143470448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tathiana M. Kokumai, Larissa E. R. Ferreira, Guilherme B. Strapasson, Lea Pasquale, Liberato Manna, Massimo Colombo, Daniela Zanchet
Modulation-excitation spectroscopy coupled to diffuse reflectance infrared Fourier transform spectroscopy (ME-DRIFTS) was explored in this work to obtain valuable insights into the structure–reactivity relations in nanostructured Pt catalysts for the water–gas shift (WGS) reaction. By using model Pt catalytic systems composed of colloidal Pt nanoparticles (NPs) deposited on CeO2 (i.e., reducible) and SiO2 (i.e., nonreducible) supports, it was possible to probe distinct Pt active sites and correlate them to the reaction intermediates and pathways. The analysis revealed that PtNPs/SiO2 favored the participation of well-coordinated (WC) and under-coordinated (UC) Pt sites in the reaction mechanism. In contrast, on PtNPs/CeO2/SiO2, the additional involvement of highly under-coordinated (HUC) Pt sites was also observed. Additionally, both fast and slow formate species were identified as active intermediates on the surface of the PtNPs/CeO2/SiO2 catalyst by ME-DRIFTS. More importantly, the faster reaction pathway was correlated to HUC and UC Pt sites, while the slower route was associated with WC Pt sites. Carbonates, on the other hand, were spectators. ME-DRIFTS experimentally demonstrate differences in the participation of Pt active sites according to the support, the involvement of interfacial sites, and the correlation of Pt local coordination to the surface intermediates in the WGS reaction.
{"title":"Insights from Modulation-Excitation Spectroscopy into the Role of Pt Geometrical Sites in the WGS Reaction","authors":"Tathiana M. Kokumai, Larissa E. R. Ferreira, Guilherme B. Strapasson, Lea Pasquale, Liberato Manna, Massimo Colombo, Daniela Zanchet","doi":"10.1021/acsami.4c21397","DOIUrl":"https://doi.org/10.1021/acsami.4c21397","url":null,"abstract":"Modulation-excitation spectroscopy coupled to diffuse reflectance infrared Fourier transform spectroscopy (ME-DRIFTS) was explored in this work to obtain valuable insights into the structure–reactivity relations in nanostructured Pt catalysts for the water–gas shift (WGS) reaction. By using model Pt catalytic systems composed of colloidal Pt nanoparticles (NPs) deposited on CeO<sub>2</sub> (i.e., reducible) and SiO<sub>2</sub> (i.e., nonreducible) supports, it was possible to probe distinct Pt active sites and correlate them to the reaction intermediates and pathways. The analysis revealed that PtNPs/SiO<sub>2</sub> favored the participation of well-coordinated (WC) and under-coordinated (UC) Pt sites in the reaction mechanism. In contrast, on PtNPs/CeO<sub>2</sub>/SiO<sub>2</sub>, the additional involvement of highly under-coordinated (HUC) Pt sites was also observed. Additionally, both fast and slow formate species were identified as active intermediates on the surface of the PtNPs/CeO<sub>2</sub>/SiO<sub>2</sub> catalyst by ME-DRIFTS. More importantly, the faster reaction pathway was correlated to HUC and UC Pt sites, while the slower route was associated with WC Pt sites. Carbonates, on the other hand, were spectators. ME-DRIFTS experimentally demonstrate differences in the participation of Pt active sites according to the support, the involvement of interfacial sites, and the correlation of Pt local coordination to the surface intermediates in the WGS reaction.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"85 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143470593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1016/j.jallcom.2025.179357
Shuai Chen, Jia Guo, Hu Zang, Changjiang Liu, Nan Yu, Baoyou Geng
The advancement of polymer solid electrolytes is essential for the development of solid-state lithium-ion batteries (LIBs). Polyvinylidene fluoride (PVDF), recognized for its unique piezoelectric properties and hydrophobicity, emerges as a promising candidate for polymer solid-state electrolyte applications. Nevertheless, its practical usage is hindered by low ionic conductivity at room temperature. To overcome this limitation, we engineered a novel PVDF/LiTFSI/TiO2-ov (PLTO) electrolyte by incorporating oxygen-rich vacancy titanium dioxide with PVDF, resulting in significant enhancements in both ionic conductivity and mechanical performance—crucial factors for the long-term stability of batteries. D33 measurements and Fourier transform infrared spectroscopy analyses revealed an increase in the β-phase (TTTT conformation) content of the doped PVDF, which substantially contributes to the improved piezoelectric performance. Furthermore, density functional theory (DFT) analysis indicated that oxygen vacancies facilitate the decomposition of lithium salts and enhance anion adsorption, thereby boosting ion transport efficiency. When integrated into a Li/PLTO/LiFePO4 semi-solid-state battery, this electrolyte membrane achieved an impressive specific capacity of 154.22 mAh/g at room temperature and 0.5 C, maintaining 95.31% capacity over 850 cycles, demonstrating exceptional durability. Additionally, lithium/lithium symmetric batteries constructed with PLTO exhibited long-term stability exceeding 3800 hours. The stability of this battery in practical applications, such as LED lighting and subtitle control, underscores its practicality and potential contribution to energy sustainability. This study offers new perspectives for the development of high-performance electrolyte membranes.
{"title":"Oxygen Vacancy-Enriched TiO2 Nanosheets Filled PVDF Electrolyte for Semi-Solid-State Batteries: Synergistic Effects of Conformational Transition and Defect Sites","authors":"Shuai Chen, Jia Guo, Hu Zang, Changjiang Liu, Nan Yu, Baoyou Geng","doi":"10.1016/j.jallcom.2025.179357","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.179357","url":null,"abstract":"The advancement of polymer solid electrolytes is essential for the development of solid-state lithium-ion batteries (LIBs). Polyvinylidene fluoride (PVDF), recognized for its unique piezoelectric properties and hydrophobicity, emerges as a promising candidate for polymer solid-state electrolyte applications. Nevertheless, its practical usage is hindered by low ionic conductivity at room temperature. To overcome this limitation, we engineered a novel PVDF/LiTFSI/TiO<sub>2</sub>-ov (PLTO) electrolyte by incorporating oxygen-rich vacancy titanium dioxide with PVDF, resulting in significant enhancements in both ionic conductivity and mechanical performance—crucial factors for the long-term stability of batteries. D33 measurements and Fourier transform infrared spectroscopy analyses revealed an increase in the β-phase (TTTT conformation) content of the doped PVDF, which substantially contributes to the improved piezoelectric performance. Furthermore, density functional theory (DFT) analysis indicated that oxygen vacancies facilitate the decomposition of lithium salts and enhance anion adsorption, thereby boosting ion transport efficiency. When integrated into a Li/PLTO/LiFePO<sub>4</sub> semi-solid-state battery, this electrolyte membrane achieved an impressive specific capacity of 154.22<!-- --> <!-- -->mAh/g at room temperature and 0.5<!-- --> <!-- -->C, maintaining 95.31% capacity over 850 cycles, demonstrating exceptional durability. Additionally, lithium/lithium symmetric batteries constructed with PLTO exhibited long-term stability exceeding 3800<!-- --> <!-- -->hours. The stability of this battery in practical applications, such as LED lighting and subtitle control, underscores its practicality and potential contribution to energy sustainability. This study offers new perspectives for the development of high-performance electrolyte membranes.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"52 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1016/j.porgcoat.2025.109161
Roya Malekkhouyan , Louis Van Renterghem , Leila Bonnaud , Jean-Marie Raquez , Marie-Georges Olivier
The interactions between the chemical groups of polymers and metallic substrates play a crucial role in corrosion protection, particularly for magnesium (Mg) alloys, which have been less studied in this context. To address this, benzoxazine resins with varying chemical structures were synthesized, and the impact of each structure on the corrosion protection of the resulting coatings was evaluated using electrochemical impedance spectroscopy (EIS). Four types of coatings exhibiting different levels of flexibility and hydrophobicity were synthesized and applied on Mg alloys via drop casting. The protective effects of these coatings were examined in both saline and acidic environments. Our results demonstrated that the length of the alkyl chains and the presence of additional aromatic groups within the benzoxazine resin backbone significantly influence the corrosion resistance of the resulting coatings. Adhesion of the coatings to the substrates was assessed before and after 35 days of immersion in 0.1 M NaCl solution. Coatings derived from monomers with longer alkyl chains exhibited superior corrosion protection in saline solutions. Water contact angle measurements were conducted to evaluate the hydrophobicity of the coatings, revealing that the most hydrophobic sample, with a contact angle of 105°, featured both a longer alkyl chain and additional aromatic rings. Furthermore, the presence of these aromatic groups directly attached to a tertiary amine was also found to enhance the coatings' resistance to 0.1 M H2SO4 solution.
{"title":"Effect of benzoxazine chemical structure on the corrosion protection of AZ31 Mg alloy in saline and acidic solutions","authors":"Roya Malekkhouyan , Louis Van Renterghem , Leila Bonnaud , Jean-Marie Raquez , Marie-Georges Olivier","doi":"10.1016/j.porgcoat.2025.109161","DOIUrl":"10.1016/j.porgcoat.2025.109161","url":null,"abstract":"<div><div>The interactions between the chemical groups of polymers and metallic substrates play a crucial role in corrosion protection, particularly for magnesium (Mg) alloys, which have been less studied in this context. To address this, benzoxazine resins with varying chemical structures were synthesized, and the impact of each structure on the corrosion protection of the resulting coatings was evaluated using electrochemical impedance spectroscopy (EIS). Four types of coatings exhibiting different levels of flexibility and hydrophobicity were synthesized and applied on Mg alloys via drop casting. The protective effects of these coatings were examined in both saline and acidic environments. Our results demonstrated that the length of the alkyl chains and the presence of additional aromatic groups within the benzoxazine resin backbone significantly influence the corrosion resistance of the resulting coatings. Adhesion of the coatings to the substrates was assessed before and after 35 days of immersion in 0.1 M NaCl solution. Coatings derived from monomers with longer alkyl chains exhibited superior corrosion protection in saline solutions. Water contact angle measurements were conducted to evaluate the hydrophobicity of the coatings, revealing that the most hydrophobic sample, with a contact angle of 105°, featured both a longer alkyl chain and additional aromatic rings. Furthermore, the presence of these aromatic groups directly attached to a tertiary amine was also found to enhance the coatings' resistance to 0.1 M H<sub>2</sub>SO<sub>4</sub> solution.</div></div>","PeriodicalId":20834,"journal":{"name":"Progress in Organic Coatings","volume":"203 ","pages":"Article 109161"},"PeriodicalIF":6.5,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-22DOI: 10.1016/j.commatsci.2025.113780
Christina Schenk, Maciej Haranczyk
Efficient exploration of multicomponent material composition spaces is often limited by time and financial constraints, particularly when mixture and synthesis constraints exist. Traditional methods like Latin hypercube sampling (LHS) struggle with constrained problems especially in high dimensions, while emerging approaches like Bayesian optimization (BO) face challenges in early-stage exploration. This article introduces ConstrAined Sequential laTin hypeRcube sampling methOd (CASTRO), an open-source tool designed to address these challenges. CASTRO is optimized for uniform sampling in constrained small- to moderate-dimensional spaces, with scalability to higher dimensions through future adaptations. CASTRO uses a divide-and-conquer strategy to decompose problems into parallel subproblems, improving efficiency and scalability. It effectively handles equality-mixture constraints, ensuring comprehensive design space coverage and leveraging LHS and LHS with multidimensional uniformity (LHSMDU). It also integrates prior experimental knowledge, making it well-suited for efficient exploration within limited budgets. Validation through two material design case studies, a four-dimensional problem with near-uniform distributions and a nine-dimensional problem with additional synthesis constraints, demonstrates CASTRO’s effectiveness in exploring constrained design spaces for materials science, pharmaceuticals and chemicals. The software and case studies are available on GitHub.
{"title":"A novel constrained sampling method for efficient exploration in materials and chemical mixture design","authors":"Christina Schenk, Maciej Haranczyk","doi":"10.1016/j.commatsci.2025.113780","DOIUrl":"10.1016/j.commatsci.2025.113780","url":null,"abstract":"<div><div>Efficient exploration of multicomponent material composition spaces is often limited by time and financial constraints, particularly when mixture and synthesis constraints exist. Traditional methods like Latin hypercube sampling (LHS) struggle with constrained problems especially in high dimensions, while emerging approaches like Bayesian optimization (BO) face challenges in early-stage exploration. This article introduces ConstrAined Sequential laTin hypeRcube sampling methOd (CASTRO), an open-source tool designed to address these challenges. CASTRO is optimized for uniform sampling in constrained small- to moderate-dimensional spaces, with scalability to higher dimensions through future adaptations. CASTRO uses a divide-and-conquer strategy to decompose problems into parallel subproblems, improving efficiency and scalability. It effectively handles equality-mixture constraints, ensuring comprehensive design space coverage and leveraging LHS and LHS with multidimensional uniformity (LHSMDU). It also integrates prior experimental knowledge, making it well-suited for efficient exploration within limited budgets. Validation through two material design case studies, a four-dimensional problem with near-uniform distributions and a nine-dimensional problem with additional synthesis constraints, demonstrates CASTRO’s effectiveness in exploring constrained design spaces for materials science, pharmaceuticals and chemicals. The software and case studies are available on GitHub.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"252 ","pages":"Article 113780"},"PeriodicalIF":3.1,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wet-chemical reactions, covering almost all solution-based synthesis in either the oil-phase or water-phase microenvironment, lead to the as-formed products with distinct morphologies, structures, and functionalities. However, crystal nucleation and growth dynamics under those microenvironments for the same material system have not been clarified. Using in situ transmission electron microscopy on the classical II–VI CdSe-based heterostructures with atomic scale resolution, notably, we revealed the formation of Au on the CdSe surface in the oil phase while the AuSe product was nucleated in the water phase. The nucleation was analogous to the two-step amorphous-to-crystalline transition, followed by growth or coalescence into polycrystalline nanoparticles. During the ex situ growth, the majority of AuSe was polycrystalline (∼79%) in the water phase, in contrast to ∼52% in the oil phase. Surprisingly, the proportion of single crystals prevailed, which was significantly increased to ∼76% in the in situ case. Such distinct behaviors were further verified through the liquid-cell environment and elemental characterizations.
{"title":"Visualizing In Situ Nucleation and Growth Dynamics of CdSe-Based Heterostructures Regulated by the Water/Oil-Phase Microenvironment","authors":"Simin Peng, Linfeng Xu, Zetan Cao, Chuangwei Jiao, Wei Liu, Yong Lu, Wenlong Wang, Bin Chen","doi":"10.1021/acs.nanolett.5c00324","DOIUrl":"https://doi.org/10.1021/acs.nanolett.5c00324","url":null,"abstract":"Wet-chemical reactions, covering almost all solution-based synthesis in either the oil-phase or water-phase microenvironment, lead to the as-formed products with distinct morphologies, structures, and functionalities. However, crystal nucleation and growth dynamics under those microenvironments for the same material system have not been clarified. Using in situ transmission electron microscopy on the classical II–VI CdSe-based heterostructures with atomic scale resolution, notably, we revealed the formation of Au on the CdSe surface in the oil phase while the AuSe product was nucleated in the water phase. The nucleation was analogous to the two-step amorphous-to-crystalline transition, followed by growth or coalescence into polycrystalline nanoparticles. During the ex situ growth, the majority of AuSe was polycrystalline (∼79%) in the water phase, in contrast to ∼52% in the oil phase. Surprisingly, the proportion of single crystals prevailed, which was significantly increased to ∼76% in the in situ case. Such distinct behaviors were further verified through the liquid-cell environment and elemental characterizations.","PeriodicalId":53,"journal":{"name":"Nano Letters","volume":"20 1","pages":""},"PeriodicalIF":10.8,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143470515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Most multi-color electrochromic devices based on vanadate have attracted significant attention due to their low energy consumption, broad color range and visual friendliness. However, challenges such as poor cyclic stability and slow response times hinder their widespread use. In this study, we propose a novel approach to enhance the response time and cyclic stability of vanadate-based electrochromic materials by incorporating transition metal ions (Fe3+, Co2+, Ce3+) into potassium vanadate film (KVO film). Experimental results demonstrate that the introduction of transition metal ions stabilizes the lattice structure, enhances electrochemical processes, and facilitates the rapid ion diffusion through KVO layers in ion insertion and extraction. Additionally, a Zn2+/Li+ propylene carbonate (PC) hybrid electrolyte was prepared, which effectively prevents the dissolution of potassium vanadate film which significantly improving its electrochemical performance and cyclic stability. The electrodes in the hybrid electrolyte demonstrated three orders of magnitude accelerated zinc ion diffusion coefficients () and faster electrochromic response times: Fe-KVO (tb/tc = 6.1/6.6 s), Co-KVO (tb/tc = 8.4/4.8 s) and Ce-KVO (tb/tc = 6.3/7.6 s) compared with H-KVO (tb/tc = 21.9/7.2 s), and lower net round-trip energy consumption (both below 90 mWh m−2). All vanadate film electrodes sustain their performance over 1000 cycles. The device's color variations under different applied potentials, such as green, olive green, yellow, light brown, amber, and orange-red. These findings highlight the potential of transition metal ion doping to enhance properties of vanadate films, paving the way for their broader application in multi-color electrochromic devices.
{"title":"Fast-Response, Long-Cycle Life and Multi-Color Electrochromic Devices of Transition Metal-Doped Potassium Vanadate Films","authors":"Xiaotong Chi, Dairong Chen, Ting Wang, Xiuling Jiao","doi":"10.1016/j.electacta.2025.145877","DOIUrl":"https://doi.org/10.1016/j.electacta.2025.145877","url":null,"abstract":"Most multi-color electrochromic devices based on vanadate have attracted significant attention due to their low energy consumption, broad color range and visual friendliness. However, challenges such as poor cyclic stability and slow response times hinder their widespread use. In this study, we propose a novel approach to enhance the response time and cyclic stability of vanadate-based electrochromic materials by incorporating transition metal ions (Fe<sup>3+</sup>, Co<sup>2+</sup>, Ce<sup>3+</sup>) into potassium vanadate film (KVO film). Experimental results demonstrate that the introduction of transition metal ions stabilizes the lattice structure, enhances electrochemical processes, and facilitates the rapid ion diffusion through KVO layers in ion insertion and extraction. Additionally, a Zn<sup>2+</sup>/Li<sup>+</sup> propylene carbonate (PC) hybrid electrolyte was prepared, which effectively prevents the dissolution of potassium vanadate film which significantly improving its electrochemical performance and cyclic stability. The electrodes in the hybrid electrolyte demonstrated three orders of magnitude accelerated zinc ion diffusion coefficients (<span><span><math><msub is=\"true\"><mi is=\"true\">D</mi><mrow is=\"true\"><mi is=\"true\">Z</mi><msup is=\"true\"><mrow is=\"true\"><mi is=\"true\">n</mi></mrow><mrow is=\"true\"><mn is=\"true\">2</mn><mo is=\"true\">+</mo></mrow></msup></mrow></msub></math></span><script type=\"math/mml\"><math><msub is=\"true\"><mi is=\"true\">D</mi><mrow is=\"true\"><mi is=\"true\">Z</mi><msup is=\"true\"><mrow is=\"true\"><mi is=\"true\">n</mi></mrow><mrow is=\"true\"><mn is=\"true\">2</mn><mo is=\"true\">+</mo></mrow></msup></mrow></msub></math></script></span>) and faster electrochromic response times: Fe-KVO (t<sub>b</sub>/t<sub>c</sub> = 6.1/6.6 s), Co-KVO (t<sub>b</sub>/t<sub>c</sub> = 8.4/4.8 s) and Ce-KVO (t<sub>b</sub>/t<sub>c</sub> = 6.3/7.6 s) compared with H-KVO (t<sub>b</sub>/t<sub>c</sub> = 21.9/7.2 s), and lower net round-trip energy consumption (both below 90 mWh m<sup>−2</sup>). All vanadate film electrodes sustain their performance over 1000 cycles. The device's color variations under different applied potentials, such as green, olive green, yellow, light brown, amber, and orange-red. These findings highlight the potential of transition metal ion doping to enhance properties of vanadate films, paving the way for their broader application in multi-color electrochromic devices.","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":"15 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143470929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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