Journal of Solid State Chemistry最新文献

{"title":"Properties of low-density SiO2 aerogels prepared based on the phase separation method","authors":"Lili Wang,&nbsp;Hongkai Zhao,&nbsp;Lei Chen,&nbsp;Haiyan Wang,&nbsp;Zhaotao Sun,&nbsp;Shunyu Cui","doi":"10.1016/j.jssc.2025.125237","DOIUrl":"10.1016/j.jssc.2025.125237","url":null,"abstract":"<div><div>To solve the problems of frequent solvent substitution and the high cost of modifiers in the process of aerogel preparation, this study proposed a modification method based on the combination of one-pot technology and phase separation technology, using polyoxydisiloxane (PEDS) as a precursor, with a small amount of n-hexane and Hexamethyldisiloxane(HMDSO) added in-situ, and n-hexane as the aging solution, followed by the addition of trimethylchlorosilane (TMCS), and trimethylethoxysilane (TMES) mixed in one pot for modification, after the end of modification to the mixed solution to the silicon ratio of 2.1 of water, water molecules were weakened by the role of the mutual solubility between ethanol and n-hexane, breaking the ternary phase equilibrium. The upward migration of hexane droplets was observed by microscopy, which led to the precipitation of ethanol from the system. Finally, a low-density SiO₂ aerogel powder was prepared by drying at atmospheric pressure and room temperature. Therefore, the phase separation method can be used to dry the gel under atmospheric pressure, avoiding the need for multiple solvent substitutions and hydrophobic modification in the traditional method. Under the most economical conditions for the use of pharmaceuticals, the silica aerogel powder synthesised by TMCS and TMES at a molar ratio of 1:2 can have a density as low as 0.0785g/cm³, a thermal conductivity as low as 0.0223 W/(m∙K), and a specific surface area as high as 837m²/g. Therefore, the phase separation method opens up a new pathway for the high-efficiency synthesis of silica aerogel powders, which makes aerogel products play a greater role in the field of thermal insulation.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125237"},"PeriodicalIF":3.2,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143300003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Supramolecular crystalline material based on uranyl(V) and γ-cyclodextrin formed by photoreduction and irradiation reduction","authors":"Shijie Xiong ,&nbsp;Jianyuan Qi ,&nbsp;Qiwei Wu,&nbsp;Xinghai Shen","doi":"10.1016/j.jssc.2025.125236","DOIUrl":"10.1016/j.jssc.2025.125236","url":null,"abstract":"<div><div>Actinide supramolecular materials exhibit unique electronic properties and functions, offering great opportunities for application. However, the uranyl(V) based crystalline materials are reported scarcely due to the instability of uranyl(V). Herein, we report on the preparation and structural characterization of supramolecular crystalline materials composed of uranyl, γ-cyclodextrin (γ-CD) and Cs⁺ for the first time. The experimental results show that uranyl is activated in an asymmetric four-coordination microstructure with strong ligand to metal charge transfer (LMCT) in the prepared crystalline. Simulated calculation reveals that the crystalline has a high surface charge density of 0.15 C/m², which benefits the conversion of uranyl(VI) to uranyl(V). Subsequently, photoreduction and γ-irradiation reduction are explored to achieve efficient reduction from uranyl(VI) to uranyl(V), yielding reduction ratios of 73 % and 88 %, respectively. In the obtained supramolecular crystalline, the uranyl(V) in majority can coexist stably with minor uranyl(VI) in γ-CD environment because of restricted coordination. After reduction, the bandgap of crystalline is decreased from 2.85 to 1.92 eV due to the stronger LMCT effect. Furthermore, the characteristic <em>g</em>-factors of uranyl(V) at 2.005 and 2.020 suggest the existence of magnetism of the crystalline at room temperature.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125236"},"PeriodicalIF":3.2,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143300002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The effect of hydrogen bonding on the magnetism quantum behavior of doped Co-MOFs","authors":"Zhenjun Fan ,&nbsp;Haoming Ning ,&nbsp;Zhenyu Mi ,&nbsp;Zhilin Xu ,&nbsp;Tianyi Gao ,&nbsp;Zhirui Sun ,&nbsp;Xiaohui Song","doi":"10.1016/j.jssc.2025.125207","DOIUrl":"10.1016/j.jssc.2025.125207","url":null,"abstract":"<div><div>In this paper, the low temperature magnetic behavior of doped Co based metal-organic frameworks (MOFs) single-crystals [(CH₃)₂NH₂]Co_1-xM_x[HCOO]₃ (DMCo_1-xM_xF) with M = Mg, Zn, Mn, Ni and x = 0.1–0.5 were systematically investigated. It was found that the long-range interactions between magnetic ions were effectively modulated by the type of doping ions, with antiferromagnetic phase transition temperature of 18.5 K for DMCo_0.8Ni_0.2F, 13.5 K for DMCo_0.8Mn_0.2F, 14.5 K for DMCo_0.9Zn_0.1F and 12 K for DMCo_0.7Mg_0.3F. Abnormally large coercive fields and hysteresis loss in Mg- or Zn- doping samples reveal the existence of single-ion quantum magnets in Co-based MOFs after non-magnetic doping. The coexistence of both long-range magnetic order and individual single-ion quantum magnets was further confirmed by quantum step behavior observed in the low-temperature hysteresis loop for non-magnetic doping (Mg, Zn) samples. A systematic analysis of the changes in bond length, bond angle, and vibrational spectrum of the samples indicates that the enhancement of hydrogen bonding is beneficial for increasing the anisotropy of magnetic single ions, leading to an increase in magnetic hysteresis and coercive fields, exhibiting quantum tunneling behavior of magnetic single ions. For the magnetic doping (Mn, Ni) samples, complex magnetic behavior is exhibited due to competition between magnetic ions. Our research indicates that doping can effectively regulate the quantum behavior of magnetic ions. The strength of hydrogen bonds has a significantly impacts on spin reversal and interactions.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125207"},"PeriodicalIF":3.2,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Ba(OH)2 solution concentration on Ba ion diffusion in acid-base chemical densification process for obtaining BaTiO3 bulk ceramics","authors":"Rei Nakayama,&nbsp;Yuki Yamaguchi,&nbsp;Hirofumi Sumi","doi":"10.1016/j.jssc.2025.125235","DOIUrl":"10.1016/j.jssc.2025.125235","url":null,"abstract":"<div><div>Near-room-temperature ceramic manufacturing are attracting attention as a way to reduce energy consumption and CO₂ emissions. In this study, we have fabricated barium titanate (BaTiO₃) bulk ceramics at near room temperature via acid-base chemical densification (ABCD) process, which utilizes the crystallization reaction that occurs between amorphous titania gel (TiO₂·nH₂O) and barium hydroxides (Ba(OH)₂) aqueous solutions. The low temperature fabrication of bulk ceramics by ABCD process is based on the diffusion of cation ions into precursor pellets consisting of TiO₂·nH₂O and the crystallization of BaTiO₃. In this study, focusing on concentration of Ba(OH)₂ in aqueous solution, Ba diffusion behavior was evaluated in ABCD process. To prevent collapse due to the dissolution-precipitation reaction, the reaction temperature was set to 80 °C which is optimal temperature. When BaTiO₃ prepared with high Ba(OH)₂ concentration solution, such as 7.0 M, Ba ion is difficult to diffuse into a interior of the pellet sample because the dense crystallized BaTiO₃ layer was formed immediately on the pellet surface which disturbs the penetration of Ba(OH)₂ solution. In contrast, thick crystallized BaTiO₃ layers were observed in the sample prepared in 0.4 or 0.7 M Ba(OH)₂ solution. It was found that Ba ions diffusion was facilitated by reducing the Ba concentration in ABCD process because the crystallization rate can be suppressed using low concentration solution. However, when the Ba(OH)₂ concentration was further reduced to 0.07 M, the Ba ions diffusing into the titania gel was low, so no BaTiO₃ was formed. It was found that the optimal concentration of Ba(OH)₂ can enhance the Ba diffusion in the pellets while maintaining crystallization into BaTiO₃. In addition, by using a low-concentration barium solution, the dissolution-precipitation reaction can be suppressed even at high temperatures of 120 °C, so it was possible to create uniform BaTiO₃ using ABCD process in 25 h. By reducing the barium concentration, it was possible to reduce the reaction time to 1/4 of the previous condition.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"346 ","pages":"Article 125235"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrigendum to “First-principles calculations of phase transition, phonon spectra, thermodynamic properties and elasticity for PuO2 polymorphs” [J. Solid State Chem. 341 (2025) 125080]","authors":"Junjie Ai ,&nbsp;Tengfei Ma ,&nbsp;Hang You ,&nbsp;Minghong Xie ,&nbsp;Xiaofeng Tian","doi":"10.1016/j.jssc.2024.125094","DOIUrl":"10.1016/j.jssc.2024.125094","url":null,"abstract":"","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"342 ","pages":"Article 125094"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143092424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Seed-assisted zeolite interconversion synthesis of fly ash-based ZSM-5 zeolite","authors":"Xiaojing Meng,&nbsp;Huibang Huang,&nbsp;Jiaqin Peng,&nbsp;Yang Zhang,&nbsp;Liangxu Zhou,&nbsp;Min Li","doi":"10.1016/j.jssc.2025.125220","DOIUrl":"10.1016/j.jssc.2025.125220","url":null,"abstract":"<div><div>To solve the problems of high production cost and environmental pollution, in this paper, fly ash is used as raw material and sodalite as intermediate to synthesis fly ash-based ZSM-5 zeolite. The process parameters such as crystallization time, crystallization temperature, crystal seed content, Na₂O/SiO₂, and SiO₂/Al₂O₃ molar ratios were also optimized. The results showed that highly crystalline ZSM-5 zeolite with a specific surface area of 274.51 m² g⁻¹ were obtained after 12 h of treatment at 180 °C. The adsorption behavior of ammonia nitrogen ions on ZSM-5 zeolite was described by the pseudo-second-order kinetic model (R² = 0.9999) and Freundlich isotherm models, which indicated that the adsorption of ammonia nitrogen was dominated by chemical adsorption and is a multimolecular layer adsorption. The adsorption of ammonia nitrogen by ZSM-5 was a spontaneous and exothermic ion exchange process. ZSM-5 zeolite exhibited relatively good adsorption performance after 4 times of column adsorption.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125220"},"PeriodicalIF":3.2,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of schafarzikite-type (PbBi)MnO4: Structural, spectroscopic, magnetic and thermogravimetric properties","authors":"Carla M. Uribe-Rincón ,&nbsp;Kowsik Ghosh ,&nbsp;Thomas Frederichs ,&nbsp;Thorsten M. Gesing ,&nbsp;M. Mangir Murshed","doi":"10.1016/j.jssc.2025.125215","DOIUrl":"10.1016/j.jssc.2025.125215","url":null,"abstract":"<div><div>Stereochemically active lone electron pairs (LEPs) draw research attention in designing materials for given crystal-physico-chemical properties. While the 5<em>s</em>² LEP-containing schafarzikite (FeSb₂O₄) exhibits interesting properties, we report a new compound (PbBi)MnO₄ which is isostructural to schafarzikites, where the stereochemical activity of 6<em>s</em>²-LEP is served by both Pb²⁺ and Bi³⁺ cations located in a single crystallographic site. The phase pure sample has been prepared in a sealed quartz tube with a low pressure of about 1 Pa at 923 K. Both X-ray and neutron power diffraction data Rietveld refinements confirm (PbBi)MnO₄ to be crystallized in the space group <em>P</em>4₂/<em>mbc</em>. The Wang-Liebau eccentricity parameter that measures the strength of the stereochemical activity of the LEPs of the associated Pb²⁺ and Bi³⁺ cations was found to be 3.41(2)⋅10⁻⁵. Temperature dependent DC magnetic susceptibility suggests that (PbBi)MnO₄ is antiferromagnetic at <em>T</em>_<em>N</em> of 43(1) K, and the magnetic structure follows a G-type configuration determined by neutron diffraction at low-temperature. Thermogravimetric analysis demonstrates the thermal stability of the tetragonal phase. The lattice thermal expansion has been modeled for the low-temperature neutron data using a single Debye term, leading to a Debye temperature of 378(20) K. Temperature-dependent changes of some selective Raman frequencies are mainly dominated by the quasiharmonic effects over the isochoric anharmonicity below room temperature.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125215"},"PeriodicalIF":3.2,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of cage-like transition-metal incorporated polyoxoniobates for hydrogen evolution reaction electrocatalysts","authors":"Lan Wu,&nbsp;Fen Hu,&nbsp;Rong-Zhi Sun,&nbsp;Wen-Jun Xia,&nbsp;Qing-Xin Zeng,&nbsp;Ping-Wei Cai,&nbsp;Shou-Tian Zheng,&nbsp;Xin-Xiong Li","doi":"10.1016/j.jssc.2025.125224","DOIUrl":"10.1016/j.jssc.2025.125224","url":null,"abstract":"<div><div>A series of novel cage-like transition-metal (TM) incorporated heteropolyoxoniobates {TM₄Nb₆₄O₂₀₀} (<strong>1-TM</strong>, TM = Ni, Cu, Mn, Cd) were hydrothermally synthesized and isolated as salts of mixed K⁺ and [CN₃H₆]⁺. As a result of transition metal ions incorporation, the charge distribution, redox potential, and active sites of the formed polyoxoniobates (PONbs) are variants, leading to differences in their electrocatalytic hydrogen evolution reaction (HER). Among these compounds<strong>, 1-Ni</strong> showed the best HER activity with an overpotential of 560 mV at 10 mA cm⁻² and a minimum Tafel slope of 405.8 mV dec⁻¹<strong>.</strong></div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125224"},"PeriodicalIF":3.2,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bi-QDs modified β-Bi2O3/BiOCl ternary bismuth series photocatalyst and its photocatalytic properties","authors":"Zhe-xu Wang ,&nbsp;Xue-wen Zhu ,&nbsp;Chun-hong Chen,&nbsp;Ming Yang,&nbsp;Hui Yu,&nbsp;Xiang-ting Dong,&nbsp;Ying Yang","doi":"10.1016/j.jssc.2025.125225","DOIUrl":"10.1016/j.jssc.2025.125225","url":null,"abstract":"<div><div>Bismuth halide oxides have the interesting layered structure came from the interleaved arrangement of [Bi₂O₂]²⁺ and X-plates in the structure and is an ideal candidate material for photocatalyst, and the metal element substance quantum dots can provide the plasma resonance effect and construct the Z-type heterojunction. Here, the Bi quantum dots (Bi-QDs) was modified between β-Bi₂O₃ and BiOCl to construct the ternary bismuth series photocatalyst which was used for the degradation of RhB in visible light. The structure of the materials were characterized by SEM,TEM, XPS and a series of electrochemical tests, and the prepared material shown the flower-like morphology. The Bi-QDs existed between β-Bi₂O₃ and BiOCl to construct the Z-type heterojunction and provided the plasma resonance effect, which improves the separation efficiency of photogenerated electrons and holes, broadened absorption range of light, and enhanced absorption capacity of visible light. The degradation rate of RhB (5 mg/L) reached to 97.10 % 12 min under visible light radiation, and it reached to 96.9 % in 6 min when the pH value of RhB solution was 5. This study provides a useful reference for metal oxides modified with non-precious metal elemental to improve the performance of photocatalysts.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125225"},"PeriodicalIF":3.2,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of elevated water vapor pressures on the dehydration reaction of magnesium sulfate hexahydrate in thermochemical energy storage","authors":"Tobias Niederkofler ,&nbsp;Aldo Giovannini ,&nbsp;Roman Lackner","doi":"10.1016/j.jssc.2025.125217","DOIUrl":"10.1016/j.jssc.2025.125217","url":null,"abstract":"<div><div>Magnesium sulfate is a promising material for thermochemical energy storage, particularly in low-temperature residential applications. However, rising water vapor pressures during dehydration can affect reaction efficiency and material stability in an open storage system. This study investigates the effects of elevated water vapor pressures (up to 100<!--> <!-->hPa) on crystal structure, metastable phase formation, and reaction mechanisms using a custom-designed apparatus. During the dehydration of magnesium sulfate hexahydrate up to 150<!--> <!-->°C, powder X-ray diffraction confirmed the formation of three metastable phases: MgSO₄.4H₂O, MgSO₄.2.5H₂O, and MgSO₄.2H₂O. Activation energy analysis using an isoconversional method confirmed that all three dehydration steps are single-step reactions. A model-free master plot approach further showed that these reactions follow the 2-D Avrami-Erofeyev model, driven by nucleation and growth. These findings provide valuable insights for optimizing the performance of magnesium sulfate in an open reactor system, where elevated localized water vapor pressures occur.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125217"},"PeriodicalIF":3.2,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}