Journal of Solid State Chemistry最新文献

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Synthesis and crystal structure analysis of three new sodium europium (II) scandium silicates 三种新型铕(II)钪硅酸盐钠的合成及晶体结构分析
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-31 DOI: 10.1016/j.jssc.2026.125874
Hisanori Yamane, Shiro Funahashi, Kohsei Takahashi, Takayuki Nakanishi, Naoto Hirosaki, Takashi Takeda
{"title":"Synthesis and crystal structure analysis of three new sodium europium (II) scandium silicates","authors":"Hisanori Yamane, Shiro Funahashi, Kohsei Takahashi, Takayuki Nakanishi, Naoto Hirosaki, Takashi Takeda","doi":"10.1016/j.jssc.2026.125874","DOIUrl":"10.1016/j.jssc.2026.125874","url":null,"abstract":"<div><div>A polycrystalline ceramic disk containing a mixture of new silicates of Eu<sup>2+</sup>, such as NaEuSc(Si<sub>2</sub>O<sub>7</sub>), Na<sub>4</sub>Eu<sub>2</sub>Sc<sub>2</sub>(Si<sub>2</sub>O<sub>7</sub>)(SiO<sub>4</sub>)<sub>2</sub>, and Na<sub>7</sub>Eu<sub>2</sub>Sc<sub>3</sub>(Si<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(SiO<sub>4</sub>)<sub>2</sub>, was synthesized by heating a mixture of Na<sub>2</sub>O, Eu<sub>2</sub>O<sub>3</sub>, Si, and SiO<sub>2</sub> in a stainless-steel container at 1190 °C. The crystal structures of the grains obtained by crushing the disk were analyzed using single-crystal X-ray diffraction (XRD). Streaks were observed between the fundamental reflections in the <em>a</em>∗ direction in the XRD pattern of NaEuSc(Si<sub>2</sub>O<sub>7</sub>). The statistical average structure of NaEuSc(Si<sub>2</sub>O<sub>7</sub>) (monoclinic, <em>a</em> = 8.6951(3) Å, <em>b</em> = 5.4662(2) Å, <em>c</em> = 13.4778(4) Å, <em>β</em> = 108.875(4)°, and space group <em>P</em>2<sub>1</sub>/<em>c</em>) was analyzed using a split-site model based on the structure of KSrSc(Si<sub>2</sub>O<sub>7</sub>). Na<sub>4</sub>Eu<sub>2</sub>Sc<sub>2</sub>(Si<sub>2</sub>O<sub>7</sub>)(SiO<sub>4</sub>)<sub>2</sub> is orthorhombic (<em>a</em> = 5.48570(10) Å, <em>b</em> = 14.3556(3) Å, <em>c</em> = 17.0877(4) Å, and space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>), which is isotypic with Na<sub>2</sub>Ca<sub>6</sub>(Si<sub>2</sub>O<sub>7</sub>)(SiO<sub>4</sub>)<sub>2</sub> and Na<sub>4</sub>Sr<sub>2</sub>Sc<sub>2</sub>(Si<sub>2</sub>O<sub>7</sub>)(SiO<sub>4</sub>)<sub>2</sub> (space group <em>P</em>2<sub>1</sub>/<em>c</em>). Na<sub>7</sub>Eu<sub>2</sub>Sc<sub>3</sub>(Si<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(SiO<sub>4</sub>)<sub>2</sub> crystallizes in a <em>C</em>-centered monoclinic cell (<em>a</em> = 21.7723(3) Å, <em>b</em> = 5.49490(10) Å, <em>c</em> = 17.1881(2) Å, <em>β</em> = 107.825(2)°, and space group <em>C</em>2/<em>c</em>). Three-dimensional frameworks with tunnels along the <em>a</em> axis in NaEuSc(Si<sub>2</sub>O<sub>7</sub>) and Na<sub>7</sub>Eu<sub>2</sub>Sc<sub>3</sub>(Si<sub>2</sub>O<sub>7</sub>)<sub>2</sub>(SiO<sub>4</sub>)<sub>2</sub> and along the <em>b</em> axis in Na<sub>4</sub>Eu<sub>2</sub>Sc<sub>2</sub>(Si<sub>2</sub>O<sub>7</sub>)(SiO<sub>4</sub>)<sub>2</sub> were formed by sharing the apical oxygen atoms of [SiO<sub>4</sub>] tetrahedra and/or [Si<sub>2</sub>O<sub>7</sub>] dimers, and [ScO<sub>6</sub>] octahedra. Na and Eu atoms were located within these tunnels. The fluorescence spectra of the grains used in the single-crystal XRD experiments were measured. The NaEuSc(Si<sub>2</sub>O<sub>7</sub>) grains exhibited blue–green fluorescence with an emission peak at 487 nm and a full width at half maximum (FWHM) of 57 nm under excitation at 390 nm. Na<sub>4</sub>Eu<sub>2</sub>Sc<sub>2</sub>(Si<sub>2</sub>O<sub>7</sub>)(SiO<sub>4</sub>)<sub>2</sub> showed a yellow–green emission spectrum with a peak at 544 nm a","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125874"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185659","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}
引用次数: 0
Mechanical and thermodynamic properties of Na2CO3-P21/m under pressure: A first-principles density functional theory calculation 压力下Na2CO3-P21/m的力学和热力学性质:第一性原理密度泛函理论计算
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-31 DOI: 10.1016/j.jssc.2026.125859
Fu-Qian Chai , Zi-Jiang Liu , Xi-Long Dou , Yuan Guo , Zhong-Shan He , Run-Fu Liu , Xiao-Dong Wen
{"title":"Mechanical and thermodynamic properties of Na2CO3-P21/m under pressure: A first-principles density functional theory calculation","authors":"Fu-Qian Chai ,&nbsp;Zi-Jiang Liu ,&nbsp;Xi-Long Dou ,&nbsp;Yuan Guo ,&nbsp;Zhong-Shan He ,&nbsp;Run-Fu Liu ,&nbsp;Xiao-Dong Wen","doi":"10.1016/j.jssc.2026.125859","DOIUrl":"10.1016/j.jssc.2026.125859","url":null,"abstract":"<div><div>The physical properties and anisotropy of carbonates under high-pressure conditions are fundamental to understanding the deep carbon cycle and carbon storage mechanisms. However, the physical properties of Na<sub>2</sub>CO<sub>3</sub>'s high-pressure phase <em>P</em>2<sub>1</sub>/<em>m</em> have not been systematically studied, limiting the understanding of carbon migration and sequestration in the Earth's deep interior. In this study, the structure, phase diagram, elastic properties, seismic properties, and thermodynamic properties of Na<sub>2</sub>CO<sub>3</sub>-<em>P</em>2<sub>1</sub>/<em>m</em> were systematically explored over a wide pressure range using first-principles calculation methods. The results show that the structural parameters and phase transition boundaries of Na<sub>2</sub>CO<sub>3</sub>-<em>P</em>2<sub>1</sub>/<em>m</em> are highly consistent with the existing theoretical and experimental results. Na<sub>2</sub>CO<sub>3</sub>-<em>P</em>2<sub>1</sub>/<em>m</em> has significant elastic anisotropy. Compared with CaCO<sub>3</sub>-<em>Pmmn</em> and MgCO<sub>3</sub>-<em>C</em>2/<em>m</em>, Na<sub>2</sub>CO<sub>3</sub>-<em>P</em>2<sub>1</sub>/<em>m</em> has lower wave velocity and less seismic anisotropy. The thermodynamic properties of Na<sub>2</sub>CO<sub>3</sub>-<em>P</em>2<sub>1</sub>/<em>m</em> were calculated by quasi-harmonic approximation. The results of this study provide important basic data for improving the deep carbon cycle model and optimizing carbon storage schemes.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125859"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185662","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}
引用次数: 0
Construction oxygen and sulfur dual vacancy to regulate Li2S deposition toward rapid kinetics Li–S batteries by a separator modified by TiO2/MoS2/porous biomass carbon nanostructure 用TiO2/MoS2/多孔生物质碳纳米结构修饰的隔膜构建氧硫双空位调控Li2S在快速动力学锂硫电池中的沉积
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-02-03 DOI: 10.1016/j.jssc.2026.125858
Guihuan Chen, Mulan Yang, Junkai Lin, Yutong Kuai, Zhihong Yu, Ziyun Zheng, Yixi Huang, Aiju Li
{"title":"Construction oxygen and sulfur dual vacancy to regulate Li2S deposition toward rapid kinetics Li–S batteries by a separator modified by TiO2/MoS2/porous biomass carbon nanostructure","authors":"Guihuan Chen,&nbsp;Mulan Yang,&nbsp;Junkai Lin,&nbsp;Yutong Kuai,&nbsp;Zhihong Yu,&nbsp;Ziyun Zheng,&nbsp;Yixi Huang,&nbsp;Aiju Li","doi":"10.1016/j.jssc.2026.125858","DOIUrl":"10.1016/j.jssc.2026.125858","url":null,"abstract":"<div><div>Although lithium-sulfur batteries have attracted significant attention because of their high energy density and high theoretical specific capacity, the shuttle effect of polysulfides and the sluggish kinetics of chemical reactions restrict their practical applications. Herein, this study designed and synthesized a composite separator material (TiO<sub>2</sub>/MoS<sub>2</sub>/HC) featuring oxygen vacancies in TiO<sub>2</sub> and sulfur vacancies in MoS<sub>2</sub>, synergistically modified on lychee wood-derived hard carbon, prepared through hydrothermal and calcination methods. The composite separator establishes an efficient “dual-vacancy” synergy mechanism: oxygen vacancies in TiO<sub>2</sub> serve as strong adsorption centers, while sulfur vacancies in MoS<sub>2</sub> function as effective catalytic centers. Additionally, the biomass-derived hard carbon provides an excellent conductive network. The TiO<sub>2</sub>/MoS<sub>2</sub>/HC separator demonstrates outstanding electrochemical performance. At 0.2C, the initial discharge capacity was 1283.8 mAh g<sup>−1</sup> with 81.5% retention after 100 cycles. Furthermore, when subjected to a high rate of 2C, the cell maintained an initial capacity of 1045.2 mAh g<sup>−1</sup>, with a negligible decay rate of 0.060% per cycle throughout 1000 cycles. This study employs bimetallic compound composite biomass carbon materials, designed through defect engineering co-catalysis to modify the separator, offering a viable strategy for the development of lithium-sulfur batteries with superior performance.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125858"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185598","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}
引用次数: 0
Synthesis of a novel functionalized metal-organic framework with N,O-binding sites for efficient adsorption of Pd(Ⅱ) from aqueous solutions 具有N, o结合位点的新型功能化金属-有机骨架的合成,用于从水溶液中高效吸附Pd(Ⅱ)
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-21 DOI: 10.1016/j.jssc.2026.125845
Wen Jiang , Yujie Yang , Xiaonian Liu , Shifeng Miao , Jie Jiang , Xueqin Ran , Chen Yuan , Yunxia Zhang
{"title":"Synthesis of a novel functionalized metal-organic framework with N,O-binding sites for efficient adsorption of Pd(Ⅱ) from aqueous solutions","authors":"Wen Jiang ,&nbsp;Yujie Yang ,&nbsp;Xiaonian Liu ,&nbsp;Shifeng Miao ,&nbsp;Jie Jiang ,&nbsp;Xueqin Ran ,&nbsp;Chen Yuan ,&nbsp;Yunxia Zhang","doi":"10.1016/j.jssc.2026.125845","DOIUrl":"10.1016/j.jssc.2026.125845","url":null,"abstract":"<div><div>A novel sorbent, PL-UiO-66, was successfully synthesized by functionalizing NH<sub>2</sub>-UiO-66 with ε-polylysine to create N,O-rich binding sites for the selective recovery of Pd(Ⅱ) from aqueous solutions. Systematic screening revealed PL-UiO-66 with a 1:1 mass ratio as the optimal adsorbent after evaluating various MOF substrates. The physicochemical properties of the adsorbent were systematically investigated using XRD, FT-IR, BET, SEM, and XPS. A high adsorption capacity of 206.8 mg/g for Pd(Ⅱ) was achieved by PL-UiO-66 at 323.15 K, with an optimal pH of 2.0, as evidenced by batch adsorption experiments. Kinetics analysis revealed that equilibrium was established within 120 min and followed the pseudo-second-order model. The adsorption isotherm was best fitted by the Langmuir isotherm, suggesting monolayer adsorption. Analysis of the thermodynamic parameters demonstrated that the sorption process is spontaneous and endothermic. In competitive adsorption tests, PL-UiO-66 maintained exceptional preference for Pd(II) even in the presence of multiple interfering metal ions. The adsorbent also demonstrated outstanding reusability, maintaining 85.48 % removal efficiency after 10 regeneration cycles. Mechanistic studies, combining FT-IR and XPS analyses, confirmed that coordination (via N and O atoms from N–H, O–H, and other functional groups) and electrostatic interactions served as critical mechanisms enabling the effective adsorption of Pd(II). This work underscores the significant potential of PL-UiO-66 as a high-performance adsorbent for sustainable palladium recovery.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125845"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037426","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}
引用次数: 0
Synergetic photo-induced charge carrier dynamics and structural reconstruction for enhancing electrochemical performance of oxygen-vacancy-enriched Bi2O3 anodes 增强富氧Bi2O3阳极电化学性能的协同光诱导载流子动力学和结构重构
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-04-01 Epub Date: 2026-01-10 DOI: 10.1016/j.jssc.2026.125809
Jiao Zhang , Suisui Su , Siqi Ying , Daiwei Li , Jia Dong , Shenghua Hu , Cuiqing Zhang , Huihui Gan , Changyuan Hu , Shizheng Zheng
{"title":"Synergetic photo-induced charge carrier dynamics and structural reconstruction for enhancing electrochemical performance of oxygen-vacancy-enriched Bi2O3 anodes","authors":"Jiao Zhang ,&nbsp;Suisui Su ,&nbsp;Siqi Ying ,&nbsp;Daiwei Li ,&nbsp;Jia Dong ,&nbsp;Shenghua Hu ,&nbsp;Cuiqing Zhang ,&nbsp;Huihui Gan ,&nbsp;Changyuan Hu ,&nbsp;Shizheng Zheng","doi":"10.1016/j.jssc.2026.125809","DOIUrl":"10.1016/j.jssc.2026.125809","url":null,"abstract":"<div><div>Bismuth trioxide (Bi<sub>2</sub>O<sub>3</sub>) has emerged as a compelling anode candidate for aqueous supercapacitors due to its exceptional redox reversibility and ultrahigh theoretical capacitance (1370 F g<sup>−1</sup>). However, its practical electrochemical performance is hindered by sluggish redox kinetics and structural degradation during cycling. In this work, we present a synergistic strategy that integrates photo-induced charge carrier dynamics and structure-directed reconstruction to systematically overcome these limitations in oxygen-vacancy-enriched Bi<sub>2</sub>O<sub>3</sub> anodes. Through a facile solvothermal synthesis oxygen-vacancy-rich Bi<sub>2</sub>O<sub>3</sub> nano-flowers are fabricated as model photoactive anode. Under visible-light illumination, electrochemical tests demonstrate a 1.3-fold enhancement in specific capacitance (425 F g<sup>−1</sup> at 1 A g<sup>−1</sup>) compared to traditional performance metrics, alongside remarkable rate capability and long-term stability (115 % capacitance retention after 2000 cycles). The underlying mechanism reveals that photogenerated electron-hole pairs not only reduce electron transfer resistance but also trigger dynamic structural evolution during redox processes, synergistically stabilizing the anode while amplifying its charge storage potential. This work establishes a novel pathway for optimizing photoactive electrode materials by leveraging the interplay between light-responsive charge carrier engineering and adaptive structural reconstruction, offering critical insights for next-generation high-performance supercapacitors.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"356 ","pages":"Article 125809"},"PeriodicalIF":3.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145974208","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}
引用次数: 0
Growth, discovery and characterization of single crystalline Eu0.8 Pt6Al16.4 Eu0.8 Pt6Al16.4单晶的生长、发现与表征
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-04-01 Epub Date: 2026-01-13 DOI: 10.1016/j.jssc.2026.125830
Juan Schmidt , Oliver Janka , Jutta Kösters , Sergey L. Bud’ko , Paul C. Canfield
{"title":"Growth, discovery and characterization of single crystalline Eu0.8 Pt6Al16.4","authors":"Juan Schmidt ,&nbsp;Oliver Janka ,&nbsp;Jutta Kösters ,&nbsp;Sergey L. Bud’ko ,&nbsp;Paul C. Canfield","doi":"10.1016/j.jssc.2026.125830","DOIUrl":"10.1016/j.jssc.2026.125830","url":null,"abstract":"<div><div>We report the discovery of a ternary compound, Eu<sub>0.8</sub>Pt<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span>Al<sub>16.4</sub>. We determine its chemical and structural characteristics based on energy-dispersive X-ray spectroscopy as well as both powder and single-crystal X-ray diffraction, demonstrating that it crystallizes in a hexagonal structure type EuPt<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span>Al<sub>17</sub> with no reported structural analog. The temperature- and field-dependent magnetization, and temperature-dependent resistance measurements, reveal that the Eu<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span> magnetic moments order antiferromagnetically below 2.8 K.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"356 ","pages":"Article 125830"},"PeriodicalIF":3.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145974209","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}
引用次数: 0
Role of transition metal substitution in ZnGa2S4 for intermediate band solar cells: A DFT-driven route toward sustainable energy applications 过渡金属取代ZnGa2S4在中间带太阳能电池中的作用:dft驱动的可持续能源应用路线
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-04-01 Epub Date: 2025-12-22 DOI: 10.1016/j.jssc.2025.125791
Sambit Jena , Aiswarya Priyambada , Singdha Sagarika Behera , Priyadarshini Parida
{"title":"Role of transition metal substitution in ZnGa2S4 for intermediate band solar cells: A DFT-driven route toward sustainable energy applications","authors":"Sambit Jena ,&nbsp;Aiswarya Priyambada ,&nbsp;Singdha Sagarika Behera ,&nbsp;Priyadarshini Parida","doi":"10.1016/j.jssc.2025.125791","DOIUrl":"10.1016/j.jssc.2025.125791","url":null,"abstract":"<div><div>With the growing demand for clean and sustainable energy, efficient and eco-friendly power sources are more crucial than ever. Solar energy, though abundant and renewable, remains underutilized due to limitations in current photovoltaic technologies. Overcoming these limitations calls for innovative semiconductors that can exceed conventional efficiency limits. Defect chalcopyrite semiconductors, particularly ZnGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> have emerged as strong candidate for next-generation intermediate band solar cells (IBSCs). In this study, we employ density functional theory (DFT) to investigate the effects of transition metal (TM) substitutions (Mn, Fe, Co, and Ni) on the structural, electronic and mechanical properties of ZnGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>. Our results show that TM substitution introduces intermediate band (IB) states within the bandgap. Specifically, Co substitution exhibits well-isolated IB states, making it the most promising candidate for IBSC applications. The structural analysis indicates that TM incorporation modifies lattice parameters, with Mn causing unit cell expansion while Fe, Co, and Ni induce lattice contraction. Mechanical stability is confirmed through Born criteria and all of these TM-substituted compounds are found to be ductile in nature. Thermodynamic stability is evaluated via cohesive and formation energy calculations, where Mn-substituted ZnGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> demonstrates the strongest bonding. Additionally, melting temperature analysis indicates ZnNiGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> has the highest thermal stability (1212.387 K), whereas, ZnMnGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> has the lowest (892.856 K). These findings highlight the potential of Co-substituted ZnGa<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> for next-generation photovoltaic applications.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"356 ","pages":"Article 125791"},"PeriodicalIF":3.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145876900","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}
引用次数: 0
Effect of nitrogen incorporation on the phase structure, thermal behaviour and structural properties of apatite wollastonite (AW) bioactive ceramics 氮掺入对磷灰石硅灰石(AW)生物活性陶瓷相结构、热行为和结构性能的影响
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-04-01 Epub Date: 2026-01-15 DOI: 10.1016/j.jssc.2026.125833
Erhan İbrahimoğlu , Fatih Çalışkan , Zafer Tatlı , Stuart Hampshire
{"title":"Effect of nitrogen incorporation on the phase structure, thermal behaviour and structural properties of apatite wollastonite (AW) bioactive ceramics","authors":"Erhan İbrahimoğlu ,&nbsp;Fatih Çalışkan ,&nbsp;Zafer Tatlı ,&nbsp;Stuart Hampshire","doi":"10.1016/j.jssc.2026.125833","DOIUrl":"10.1016/j.jssc.2026.125833","url":null,"abstract":"<div><div>In this research, a powder mixture of SiO<sub>2</sub>–P<sub>2</sub>O<sub>5</sub>–CaO–CaF<sub>2</sub>–MgO–Al<sub>2</sub>O<sub>3</sub> compound was prepared, and the melt-quenching process was employed to obtain apatite wollastonite (AW) bioactive glasses. The mixture was melted in an alumina crucible at a temperature exceeding 1500 °C for 1 h under both ambient and protective nitrogen (N<sub>2</sub>) atmosphere conditions. By using a melt-quenching method, the melted glass was cooled over a critical cooling rate into a graphite crucible. The prepared sample in N<sub>2</sub> condition (G2) and ambient condition (G1) glasses were investigated in terms of chemical content (XRD, EDS and FTIR), microstructure (FESEM), physical (density) and mechanical properties (hardness and indentation fracture toughness). The protective atmosphere (N<sub>2</sub>) caused a meaningful increase in the indentation fracture toughness (IFT), from 1.54 to 1.72 MPa m<sup>1/2</sup>, 12 %, while the hardness of glasses was slightly increased from 5.98 to 6.00 GPa by the N<sub>2</sub> condition. The findings demonstrate that nitrogen not only contributes to the structural organisation but also plays a critical role in driving the thermodynamic stability and microstructural evolution of the system, significantly influencing the specific phase transformation occurring from β-wollastonite to pseudowollastonite and the thermal behaviour in glass-ceramic systems. This could be considered a critical parameter for future material design and functional applications.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"356 ","pages":"Article 125833"},"PeriodicalIF":3.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035077","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}
引用次数: 0
Ferroelectric properties influenced by the formation of oxygen vacancy layers within PbTiO3 multilayer thin films 氧空位层形成对PbTiO3多层薄膜铁电性能的影响
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-04-01 Epub Date: 2026-01-14 DOI: 10.1016/j.jssc.2026.125827
Eunmi Lee , Jong Yeog Son
{"title":"Ferroelectric properties influenced by the formation of oxygen vacancy layers within PbTiO3 multilayer thin films","authors":"Eunmi Lee ,&nbsp;Jong Yeog Son","doi":"10.1016/j.jssc.2026.125827","DOIUrl":"10.1016/j.jssc.2026.125827","url":null,"abstract":"<div><div>The imprint phenomenon, in which the ferroelectric hysteresis loop of ferroelectric thin films moves in one direction, is caused by an internal electric field generated by an imbalance of internal charges. This internal electric field formed in the ferroelectric thin films can be generated from the imbalance of defects caused by using two different electrodes or heat treatment. In this study, we investigated the imprinted ferroelectric hysteresis loops occurring in PbTiO<sub>3</sub> (PTO) multilayer thin films composed of oxygen-deficient PbTiO<sub>3-δ</sub> (DPTO) layers combined with PTO thin films. To form PTO multilayer thin films on Nb-doped SrTiO<sub>3</sub> substrates by a pulsed laser deposition method, a normal PTO layer and an oxygen-deficient DPTO layer were mixed and deposited where the oxygen-deficient DPTO layer was deposited by a PbTiO<sub>3-δ</sub> target. PTO capacitors with configurations of PTO/DPTO and DPTO/PTO exhibited implanted ferroelectric hysteretic loops moving left and right, respectively. In particular, the PTO capacitor of the DPTO/PTO/DPTO structure exhibited imprinted ferroelectric hysteresis loops spreading in both directions. The results provide an opportunity for free control of the imprint direction of the PTO multilayer films by controlling the position of the oxygen-vacancy DPTO layer applying ferroelectric hysteresis loops.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"356 ","pages":"Article 125827"},"PeriodicalIF":3.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035073","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}
引用次数: 0
Synthesis and crystal structure of a new Cs-containing layered silicate by the hydrothermal conversion of H-RUB-18 水热转化H-RUB-18合成新型含碳层状硅酸盐及其晶体结构
IF 3.5 3区 化学
Journal of Solid State Chemistry Pub Date : 2026-04-01 Epub Date: 2025-12-24 DOI: 10.1016/j.jssc.2025.125797
Takuji Ikeda, Takako Nagase
{"title":"Synthesis and crystal structure of a new Cs-containing layered silicate by the hydrothermal conversion of H-RUB-18","authors":"Takuji Ikeda,&nbsp;Takako Nagase","doi":"10.1016/j.jssc.2025.125797","DOIUrl":"10.1016/j.jssc.2025.125797","url":null,"abstract":"<div><div>A new Cs-containing crystalline layered silicate, named as Cs-LS, (Cs<sub>8</sub>[Si<sub>80</sub>O<sub>160</sub>(OH)<sub>8</sub>]·8H<sub>2</sub>O) was synthesized by the hydrothermal conversion of acid-treated layered silicates RUB-18 (H-RUB-18, H<sub>8</sub>Si<sub>32</sub>O<sub>64</sub>(OH)<sub>8</sub>) or PLS-1 (H-PLS-1, H<sub>0.4</sub>TMA<sub>1.6</sub>(OH)<sub>2</sub>[Si<sub>18</sub>O<sub>34</sub>(OH)<sub>4</sub>]) at 473 K for 5 d. The solvothermal conversion of the same starting materials in ethanol solvent was also attempted at 473 K for 5 d, yielding Cs-containing silicate CsHSiO<sub>5</sub> with a ladder-like silicate framework. The crystal structure of Cs-LS was determined by the combination of 3D-ED/microED, powder X-ray diffraction, and solid-state NMR experiments. The space group, lattice constants, and unit-cell volume were determined as <em>P</em>2<sub>1</sub>/<em>n</em>, <em>a</em> = 1.00363(2) nm, <em>b</em> = 1.06402(3) nm, <em>c</em> = 3.62537(9) nm, <em>β</em> = 94.253(2)°, and <em>V</em> = 3.8605(2) nm<sup>3</sup>. The robust-looking silicate layer, consisting of 4-, 5-, 7-, and 8-rings, was identical to the clay mineral kenyaite and was about 1.6 nm thick. The layer surface had semi-cylindrical depressions along the [110] direction, and Cs<sup>+</sup> ions and water molecules were alternately distributed in the depressions. The structure of the Cs-LS layer is partially similar to H-RUB-18 but quite different from H-PLS-1, suggesting that Cs<sup>+</sup> ions acted as a structure-directing agent. Cs-LS exhibited water vapor adsorption ability due to hydroxyl groups on the layer surface, and its specific surface area was estimated to be 97.4 m<sup>2</sup> g<sup>−1</sup>.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"356 ","pages":"Article 125797"},"PeriodicalIF":3.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145940139","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}
引用次数: 0
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