Kai Bai , Xiaofen Chen , Yuhe Pan , Zhaoxuan Jin , Buyun Zhang , Yuchuan Wang , Peng Lv , Tieshan Wang , Haibo Peng
{"title":"Evolution of activation energy for boron dissolution in the borosilicate glass during the initial leaching stage","authors":"Kai Bai , Xiaofen Chen , Yuhe Pan , Zhaoxuan Jin , Buyun Zhang , Yuchuan Wang , Peng Lv , Tieshan Wang , Haibo Peng","doi":"10.1016/j.jnoncrysol.2024.123244","DOIUrl":"10.1016/j.jnoncrysol.2024.123244","url":null,"abstract":"<div><div>Borosilicate glass is widely used for immobilizing high-level radioactive waste. In this study, two types of borosilicate glasses, Na-borosilicate and Zr-Na-borosilicate, were subjected to leaching within a temperature range of 50–90 °C, at 10 °C intervals. The rate of boron consumption was measured by Inductively Coupled Plasma Optical Emission Spectrometer (ICP-OES) and Fourier-Transform infrared spectroscopy (FTIR) techniques, and the boron activation energy was determined through the Arrhenius equation. The boron activation energies for Na-borosilicate and Zr-Na-borosilicate glasses are approximately 46 kJ/mol and 42 kJ/mol, respectively. The activation energy, which FTIR calculated, was consistent with that obtained by ICP-OES during the initial leaching time and decreased as the leaching time increased. The decrease in activation energy of boron is because the [BO<sub>3</sub>] structure was replaced by molecular water. The FTIR method offers an alternative approach for calculating the boron activation energy and contributes to understanding the leaching mechanism in the initial leaching stage.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123244"},"PeriodicalIF":3.2,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142358080","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}
Maria N. Queiroz , Taís S. Morais , Tatielle G. Dias , Jaqueline D.S. Barros , Richard P. Dutra , Aramys S. Reis , Alan S. de Menezes , Alysson Steimacher , Franciana Pedrochi
{"title":"Magnesium borate-glasses for biomedical application: Physicochemical and in vitro bioactive properties, antibacterial activity and cell viability","authors":"Maria N. Queiroz , Taís S. Morais , Tatielle G. Dias , Jaqueline D.S. Barros , Richard P. Dutra , Aramys S. Reis , Alan S. de Menezes , Alysson Steimacher , Franciana Pedrochi","doi":"10.1016/j.jnoncrysol.2024.123239","DOIUrl":"10.1016/j.jnoncrysol.2024.123239","url":null,"abstract":"<div><div>Borate bioactive glasses doped with magnesium oxide (MgO) were synthetized by melt-quenching method and evaluated their physicochemical and <em>in vitro</em> bioactive properties. The glasses were characterized by volumetric density, DTA, XRD and FTIR techniques. <em>In vitro</em> bioactivity was evaluated by SBF immersion test. Cytocompatibility tests were performed on RAW-247 murine macrophage cells. Antibacterial activity was evaluated by the agar disk diffusion method. The XRD results confirm the amorphous nature of the glasses. FTIR analysis showed that the MgO addition modifies the glass network, causing changes in the volumetric density, molar volume, and thermal properties. The <em>in vitro</em> bioactivity was confirmed by XRD, FTIR, and SEM-EDS analyses; all samples showed the formation of biological apatites. All samples are non-cytotoxic and presented good antibacterial activity against <em>S. aureus</em> and <em>P. aeruginosa</em> bacteria. Therefore, all samples are good candidates for biomedical applications, mainly in bone regeneration.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123239"},"PeriodicalIF":3.2,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326728","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}
{"title":"Plastic crystal as a plasticizer for enhancing Li+ ion conductivity in PMMA–LiTf polymer electrolyte","authors":"More Amit Arvind Sunita, B. Sundaresan, S. Jeya","doi":"10.1016/j.jnoncrysol.2024.123243","DOIUrl":"10.1016/j.jnoncrysol.2024.123243","url":null,"abstract":"<div><div>In this work, plastic crystal polymer electrolytes (PCPE) composed of polymethyl methacrylate (PMMA), lithium trifluoromethanesulfonate (LiTf), and succinonitrile (SN) were prepared using the solution casting method. The concentration of the plastic crystal SN was varied from 2 wt% to 20 wt%. The ionic conductivity of the PCPEs was measured at room temperature, with a maximum value of 5.75×10<sup>−5</sup> S/cm observed for the PCPE with 10 wt% SN. An increase in the amorphous nature of the PCPE was noted from X-ray diffraction analysis, attributed to the interactions among PMMA, LiTf, and SN. FTIR analysis confirmed the presence of interactions among the components in the samples. A higher dielectric constant was obtained for the PCPE with 10 wt% SN. Dielectric tangent analysis revealed improved salt dissolution at higher concentrations of SN (20 wt%). The thermal stability of the PCPEs was also enhanced with the addition of SN.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123243"},"PeriodicalIF":3.2,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326729","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}
Luis Alejandro Salas-Hernández , Guadalupe Lopez-Laurrabaquio , Juan Martín Montejano-Carrizales , Alberto Hernández-García , María Eufemia Fernández-García , Edgar Omar Castrejón-González
{"title":"The structural and electronic configuration of an amorphous silica surface, from its liquid to glassy state","authors":"Luis Alejandro Salas-Hernández , Guadalupe Lopez-Laurrabaquio , Juan Martín Montejano-Carrizales , Alberto Hernández-García , María Eufemia Fernández-García , Edgar Omar Castrejón-González","doi":"10.1016/j.jnoncrysol.2024.123235","DOIUrl":"10.1016/j.jnoncrysol.2024.123235","url":null,"abstract":"<div><div>Through classical molecular dynamics computational simulations, the surface of amorphous silica (vitreous silica) was generated for a system comprising 64 SiO<sub>2</sub> molecules (192 atoms) via the classical three-body glass potential. Starting from the liquid state of silica at 3400 K, it was cooled in three different ways at intervals of 200, 400, and 2000 K, with a cooling rate of 4.4 K/ps and establishing relaxation at intermediate temperatures, yielding three groups of surfaces from 3400 to 1400 K. Subsequently, these systems underwent sudden cooling from 1400 to 300 K via the Andersen and Nosé‒Hoover thermostats, followed by relaxation at 300 K via a microcanonical ensemble (NVE constant). Each surface that underwent relaxation was analyzed through ab initio molecular dynamics for the following three physical properties, which are temperature dependent. The average electric charges of oxygen and silicon. Microstructures on the outermost part of the surface were observed and comprised nonbridging oxygen atoms, undercoordinated silicon, and N-membered rings (3 ≤ <em>N</em> ≤ 5). The radial distribution functions were analyzed for all surfaces. Below 2000 K, a type of freezing is observed in all the structures because of the glass transition. All analyses were performed at zero pressure.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123235"},"PeriodicalIF":3.2,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142323519","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}
Wenzeng Wang , Shujiang Liu , Zhigang Yin , Renzheng Sun , Juncheng Zhou , Yuebo Hu
{"title":"Impact of MgO-ZnO substitution on nucleation of aluminosilicate glasses","authors":"Wenzeng Wang , Shujiang Liu , Zhigang Yin , Renzheng Sun , Juncheng Zhou , Yuebo Hu","doi":"10.1016/j.jnoncrysol.2024.123240","DOIUrl":"10.1016/j.jnoncrysol.2024.123240","url":null,"abstract":"<div><div>The nucleation mechanisms is of technically interest and important in glass-ceramics production. Here we investigate the nucleation behaviors of NiO-doped MgO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> and ZnO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> glasses. It is found that crystallization tends to takes place on the surface and the interior of glasses for the former and the latter, respectively. The origin of different nucleation behavior is studied by comparing aluminum coordination, configurational entropy and rheological properties of the glasses. The substitution of MgO by ZnO leads to increase of tetrahedral aluminum concentration, and decrease of configurational entropy above glass transition temperature, in particular, the latter is closely related to volume nucleation. In addition, the qualitative comparison of thermodynamic and kinetic barriers of steady-state nucleation rate of two glasses indicates that ZnO-bearing aluminosilicate glass possesses higher diffusivity and lower critical nucleus size, which favoring volume nucleation.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123240"},"PeriodicalIF":3.2,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142326727","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}
Luiz P. Silva Neto , Nilmar Camilo , José C. Filho , Viviane Pilla , Luana E.S. Silva , Noelio O. Dantas , Acácio A. Andrade
{"title":"Influence of Nb2O5 on the luminescent and structural properties of nanostructured phosphate glasses doped with RE3+ ions","authors":"Luiz P. Silva Neto , Nilmar Camilo , José C. Filho , Viviane Pilla , Luana E.S. Silva , Noelio O. Dantas , Acácio A. Andrade","doi":"10.1016/j.jnoncrysol.2024.123232","DOIUrl":"10.1016/j.jnoncrysol.2024.123232","url":null,"abstract":"<div><div>Niobium pentoxide (Nb<sub>2</sub>O<sub>5</sub>) in glasses doped with RE<sup>3+</sup> ions has garnered significant interest in developing luminescent materials for optical devices. This study explores a phosphate glass nanostructured with CdS and doped with Nd<sup>3+</sup> and Eu<sup>3+</sup> ions, focusing on the impact of Nb<sub>2</sub>O<sub>5</sub> addition. Using optical absorption, photoluminescence (PL), time–resolved photoluminescence, and Raman Scattering, the structural and luminescent properties were characterized. Nb<sub>2</sub>O<sub>5</sub> was found to significantly influence the matrix, acting as a network–forming agent, and reducing phonon energy from ∼1060 to 900 cm<sup>-1</sup>. Structural changes were also evidenced by an increase in the asymmetric ratio of Eu<sup>3+</sup> ions from ∼5 to 8. PL decay curves indicated Nd<sup>3+</sup> ions distributed across sites with different symmetries, with Nb<sub>2</sub>O<sub>5</sub> reducing the lifetime of the <sup>4</sup>F<sub>3/2</sub> level from 337 to 282 μs. The findings demonstrate that Nb<sub>2</sub>O<sub>5</sub> can modulate the structural and luminescent properties of phosphate glass, making it a promising for advanced photoluminescent materials.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123232"},"PeriodicalIF":3.2,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142319075","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}
{"title":"Characterization of the α-relaxation and gel-like dynamics in mixed network forming (GeO2)x(NaPO3)100-x glass melts by photon correlation spectroscopy","authors":"David L. Sidebottom","doi":"10.1016/j.jnoncrysol.2024.123237","DOIUrl":"10.1016/j.jnoncrysol.2024.123237","url":null,"abstract":"<div><div>Dynamic light scattering investigations of the <span><math><mi>α</mi></math></span>-relaxation in network-forming (GeO<sub>2</sub>)<sub>x</sub>(NaPO<sub>3</sub>)<sub>100-x</sub> glass melts is reported for <em>x</em> = 0 to 40 mol% GeO<sub>2</sub>. Addition of GeO<sub>2</sub> results in an increased density of bridging oxygen bonds. This monotonically increases the glass transition temperature but generates complex changes to the glass forming fragility which initially decreases with increasing GeO<sub>2</sub> but increases again at higher GeO<sub>2</sub> contents. A resolution to this odd fragility behavior is obtained by applying a coarse-graining procedure used previously in sodium germanate melts to arrive at a topological network connectivity for which fragility exhibits a universal dependence. Also observed in the light scattering measurements is a secondary relaxation, several orders of magnitude slower than that of the <span><math><mi>α</mi></math></span>-relaxation, which we tentatively attribute to gel-like anomalous diffusion of Ge crosslinks formed between phosphate chains.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123237"},"PeriodicalIF":3.2,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142315471","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}
Jinimol Joy , R. Raja Madhavan , Sujoy Sen , D. Sujish , R. Kumaresan , Kitheri Joseph
{"title":"Studies on synthesis and properties of zinc doped cesium iron phosphate glasses","authors":"Jinimol Joy , R. Raja Madhavan , Sujoy Sen , D. Sujish , R. Kumaresan , Kitheri Joseph","doi":"10.1016/j.jnoncrysol.2024.123233","DOIUrl":"10.1016/j.jnoncrysol.2024.123233","url":null,"abstract":"<div><div>The effect of doping of zinc oxide on the structural and thermal properties of cesium loaded iron phosphate glass has been studied. The composition of glasses prepared for the present study is xZnO–20Cs<sub>2</sub>O–(32–0.4x) Fe<sub>2</sub>O<sub>3</sub>–(48–0.6x) P<sub>2</sub>O<sub>5</sub> with <em>x</em> = 0–15 (mol%) wherein Fe/P ratio remains 0.67. Glasses were synthesized using conventional melt quenching technique and were characterized by XRD, DTA, Raman and FTIR spectroscopy. All the glasses showed X-ray amorphous except <em>x</em> = 15 mol% ZnO. Chemical durability of the glasses was studied by PCT-B. The addition of cesium in pristine IPG decreased the thermal stability. Doping of 2.5 mol% ZnO marginally increased the thermal stability and chemical durability compared to 20 mol% Cs loaded IPG. Further addition of ZnO in cesium loaded IPG resulted in slow depolymerization of pyrophosphate network. All the glasses exhibited a low Cs leach rate in the order of 10<sup>–6</sup> g/cm<sup>2</sup>.day.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123233"},"PeriodicalIF":3.2,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142311110","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}
Yingying Wang , Xinli Liu , Jiacheng Zheng , Xinyue Liu , Peiqing Zhang , Changgui Lin , Xiang Shen , Shixun Dai , Baoan Song
{"title":"Study on the effect of annealing temperature on the optical characteristics and microstructure of Sb2Se3 thin films","authors":"Yingying Wang , Xinli Liu , Jiacheng Zheng , Xinyue Liu , Peiqing Zhang , Changgui Lin , Xiang Shen , Shixun Dai , Baoan Song","doi":"10.1016/j.jnoncrysol.2024.123225","DOIUrl":"10.1016/j.jnoncrysol.2024.123225","url":null,"abstract":"<div><p>To achieve high conversion efficiency in Sb<sub>2</sub>Se<sub>3</sub> thin films, the effects of different annealing temperatures on the optical properties and microstructure were investigated. The experiment shows that annealing improves Sb<sub>2</sub>Se<sub>3</sub> films' refractive index, absorptivity, and reduces the optical band gap. The first-principle theoretical analysis reveals that defects in the films such as Sb<sub>Se2</sub>, Sb<sub>Se3</sub>, V<sub>Se2</sub>, and V<sub>Se3</sub> significantly affect their optical band gap. Based on the XRD (X-ray diffraction) patterns, the half-height widths, average grain sizes, microstrains and dislocation densities of the diffraction peaks have been calculated. The results show that the optimal annealing temperature is 325 °C. Finally, EDS (Energy Dispersive Spectrometer) and Raman spectroscopy were used to explain the reasons for the changes in the optical properties and internal structure of the film with the annealing temperature from the perspectives of the changes in the film components and the bonding properties between the atoms.</p></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123225"},"PeriodicalIF":3.2,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239508","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}
{"title":"Visible/solar light active transparent BiB3O6 glass- ceramics multi-catalysis","authors":"Abhishek Shukla , Akshay Gaur , Vishal Singh Chauhan, Rahul Vaish","doi":"10.1016/j.jnoncrysol.2024.123231","DOIUrl":"10.1016/j.jnoncrysol.2024.123231","url":null,"abstract":"<div><p>Borate based non-centrosymmertic crystals are known for their non-linear optical properties. This study reports BiB<sub>3</sub>O<sub>6</sub> glass-ceramics for photocatalysis and piezocatalysis applications. These were fabricated via. melt-quench technique and yellow transparent glass samples were made. Effectiveness of a bismuth-triborate glass-ceramic (BiB<sub>3</sub>O<sub>6</sub>) in degrading methylene blue (MB) and methyl violet (MV) dye undergoing photocatalysis in the presence of visible light and solar light for MB dye was studied. Degradation observed in photocatalysis was ∼62 % and ∼50 % for MB and MV dye respectively in 240 min whereas, ∼72 % of MB dye was degraded under solar light. Piezocatalysis was examined to assess the extended potential of this material, resulting in approximately ∼76 % degradation of MB dye. Moreover, in synergistic photo-piezocatalysis degradation of ∼88 % was observed. Phytotoxicity was also assessed using the germination index (GI) showing ∼76 %, using heat treated sample.</p></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123231"},"PeriodicalIF":3.2,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239510","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}