Solid State Sciences最新文献

筛选
英文 中文
Synthesis of CuO-ZnO/N, P-doped 3D rGO hybrid supercapacitive electrode: Fabrication and electrochemical characterization CuO-ZnO/N, p掺杂三维rGO杂化超级电容电极的合成:制备及电化学表征
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-16 DOI: 10.1016/j.solidstatesciences.2025.108186
Neda Nazari , Sajad Mirzaee , Adrine Malek Khachatourian , Mohammad Golmohammad , Arash Javanmard , Rasoul Sarraf-Mamoory , Rene Zahrhuber , Christoph Unterweger
{"title":"Synthesis of CuO-ZnO/N, P-doped 3D rGO hybrid supercapacitive electrode: Fabrication and electrochemical characterization","authors":"Neda Nazari ,&nbsp;Sajad Mirzaee ,&nbsp;Adrine Malek Khachatourian ,&nbsp;Mohammad Golmohammad ,&nbsp;Arash Javanmard ,&nbsp;Rasoul Sarraf-Mamoory ,&nbsp;Rene Zahrhuber ,&nbsp;Christoph Unterweger","doi":"10.1016/j.solidstatesciences.2025.108186","DOIUrl":"10.1016/j.solidstatesciences.2025.108186","url":null,"abstract":"<div><div>The CuO-ZnO/3-dimensional phosphorus and nitrogen co-doped reduced graphene oxide (CZ/3DNPG) nanocomposite was successfully synthesized via a one-step hydrothermal method and evaluated as a high-performance electrode material for supercapacitor applications. The microstructural and structural characteristics, as well as the electrochemical properties of the nanocomposite, were thoroughly investigated. Doping, compositing, and 3D structure were employed to enhance pore density, surface area, and pore volume, thereby providing abundant expedient electroactive sites and facilitating efficient electron/ion transfer, ultimately improving overall electrochemical processes. CZ/3DNPG achieved a high specific capacitance of 714 F g<sup>−1</sup> at 1 A g<sup>−1</sup> within a voltage window of −0.6 to 0.6 V (vs. Ag/AgCl) in a three-electrode system using 6 M KOH as the electrolyte. In the two-electrode configuration, the material exhibited a specific capacitance of 119 F g<sup>−1</sup>, an energy density of 65.5 Wh kg<sup>−1</sup>, and a power density of 1700 W kg<sup>−1</sup> at 1 A g<sup>−1</sup> in 1 M TEMA-BF<sub>4</sub> dissolved in propylene carbonate. Notably, cycling in a symmetrical two-electrode system showed an increasing capacitance trend, with 160 % capacity retention after 24,000 cycles. These qualities, which improve structural durability, increase ion transport efficiency, and facilitate redox processes, are attributed to the synergistic effect of the metal oxides and the heteroatom-doped porous graphene matrix. This study demonstrates that CZ/3DNPG is an advanced material for modern energy storage systems.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108186"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837732","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
Electrical and thermoelectric transport of SrFe1-xCoxO3-δ mixed-conducting perovskites SrFe1-xCoxO3-δ混合导电钙钛矿的电输运和热电输运
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-11 DOI: 10.1016/j.solidstatesciences.2025.108174
Jagoda Budnik, Maria Gazda, Tadeusz Miruszewski
{"title":"Electrical and thermoelectric transport of SrFe1-xCoxO3-δ mixed-conducting perovskites","authors":"Jagoda Budnik,&nbsp;Maria Gazda,&nbsp;Tadeusz Miruszewski","doi":"10.1016/j.solidstatesciences.2025.108174","DOIUrl":"10.1016/j.solidstatesciences.2025.108174","url":null,"abstract":"<div><div>In this work, a group of mixed ionic-electronic conductors, SrFe<sub>1-x</sub>Co<sub>x</sub>O<sub>3-δ</sub> (x = 0, 0.4, 0.6, 0.8), synthesised with NiO as a sintering aid was studied. The total electrical conductivity as a function of temperature was analysed using the DC-4W method. All investigated materials exhibited a maximum conductivity at temperatures between 620 and 870 K. Thermally activated conduction below- and metal-like conductivity behaviour above the maximum temperature was observed. Seebeck coefficient measurements of SrFe<sub>1-x</sub>Co<sub>x</sub>O<sub>3-δ</sub> (x = 0, 0.4, 0.6, 0.8) showed that all materials exhibited a p-type electronic conductivity in air. Furthermore, thermoelectric studies have enabled the determination of temperature dependencies of electron hole concentration and their mobility. With higher Co content in the materials, the Seebeck coefficient was lower, while the concentration of electron holes increased. With increasing temperature, the concentration of electron holes declined in all materials due to thermal reduction.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108174"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788671","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
Enhancement of thermoelectric properties in n-type Bi2Te3 through defect engineering via in situ NiTe2 precipitates 利用原位NiTe2沉淀缺陷工程增强n型Bi2Te3热电性能
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-27 DOI: 10.1016/j.solidstatesciences.2025.108199
Gyujin Chang , Se Yun Kim , Gwan Hyeong Lee , Chanwoo Ju , Jaewoo Park , Seungwoo Ha , Yunjae Kim , Sang-il Kim , TaeWan Kim , Myoung Seok Kwon
{"title":"Enhancement of thermoelectric properties in n-type Bi2Te3 through defect engineering via in situ NiTe2 precipitates","authors":"Gyujin Chang ,&nbsp;Se Yun Kim ,&nbsp;Gwan Hyeong Lee ,&nbsp;Chanwoo Ju ,&nbsp;Jaewoo Park ,&nbsp;Seungwoo Ha ,&nbsp;Yunjae Kim ,&nbsp;Sang-il Kim ,&nbsp;TaeWan Kim ,&nbsp;Myoung Seok Kwon","doi":"10.1016/j.solidstatesciences.2025.108199","DOIUrl":"10.1016/j.solidstatesciences.2025.108199","url":null,"abstract":"<div><div>Bi<sub>2</sub>Te<sub>3</sub> composition serves as the parent compound of the highest performing thermoelectric materials at room temperature, including (Bi,Sb)<sub>2</sub>Te<sub>3</sub>, and Bi<sub>2</sub>(Te,Se)<sub>3</sub>. Herein, the thermoelectric transport properties of (Bi<sub>1-x</sub>Ni<sub>x</sub>)<sub>2</sub>Te<sub>3</sub> (<em>x</em> = 0, 0.0075, 0.015, 0.03, 0.045, 0.06 and 0.075) compositions were systematically investigated by introducing Ni into the Bi<sub>2</sub>Te<sub>3</sub> composition, which results in <em>in-situ</em> NiTe<sub>2</sub> precipitates and Te-vacancies during synthesis. At low Ni contents (<em>x</em> = 0.0075 and 0.015), the electrical conductivity and power factor (<em>PF</em>) increase, while the lattice thermal conductivity (<em>κ</em><sub>latt</sub>) concurrently decreases, yielding a broad enhancement of <em>zT</em> across 375–425 K with a peak near ∼450 K, compared with pristine Bi<sub>2</sub>Te<sub>3</sub>. Mechanistically, slight Te deficiency associated with NiTe<sub>2</sub> formation introduces donor-type Te vacancies, increasing the carrier concentration (<em>n</em><sub>H</sub>); a concurrent moderate rise in the density-of-states effective mass (<em>m</em><sub>d</sub>∗) supports higher weighted mobility and <em>PF</em>, whereas fine and numerous NiTe<sub>2</sub> precipitates induce strong phonon scattering that sustains low <em>κ</em><sub>latt</sub>. Consequently, both the thermoelectric quality factor (<em>B</em>) and <em>zT</em> are significantly elevated for x = 0.0075 and 0.015. In contrast, at higher Ni contents (x ≥ 0.03), self-compensation lowers <em>n</em><sub>H</sub>, alloy/defect disorder grows, and NiTe<sub>2</sub> coarsening partially recovers thermal conductivity and flattens the <em>PF</em>, shifting the <em>zT</em> maximum toward lower temperatures (∼350 K). This study demonstrates that combining reservoir-controlled defect chemistry with in-situ nanoscale precipitates is an effective strategy for improving Bi<sub>2</sub>Te<sub>3</sub>-based <em>n</em>-type thermoelectrics in the near-room-temperature regime.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108199"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880687","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
High-pressure phase transition of tetragonal BaNCN 四边形BaNCN的高压相变
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-20 DOI: 10.1016/j.solidstatesciences.2025.108188
Yuzuki Yamamoto , Kazuki Kume , Ayako Shinozaki , Tom Ichibha , Kenta Hongo , Akira Miura , Yuji Masubuchi
{"title":"High-pressure phase transition of tetragonal BaNCN","authors":"Yuzuki Yamamoto ,&nbsp;Kazuki Kume ,&nbsp;Ayako Shinozaki ,&nbsp;Tom Ichibha ,&nbsp;Kenta Hongo ,&nbsp;Akira Miura ,&nbsp;Yuji Masubuchi","doi":"10.1016/j.solidstatesciences.2025.108188","DOIUrl":"10.1016/j.solidstatesciences.2025.108188","url":null,"abstract":"<div><div>Compounds containing molecular anions exhibit a characteristic pressure-induced phase transition caused by tilting or deformation of the molecular anions as well as contraction of the ion size. This study investigates the phase transition of tetragonal BaNCN consisting of carbodiimide anions, NCN<sup>2−</sup>, under pressures as high as 65 GPa using in situ synchrotron X-ray diffraction and Raman spectroscopy measurements. The tetragonal BaNCN undergoes a transformation to a monoclinic phase at approximately 23 GPa, which has been predicted in previous theoretical calculations. In the phase transition, the linear NCN<sup>2−</sup> anions are tilted away from parallel alignment and Ba atoms are sheared along the <em>a</em>-axis in the tetragonal structure to form distorted Ba(NCN)<sub>8</sub> polyhedra in the monoclinic structure. Upon further compression at pressures greater than 45 GPa, a discontinuous decrease in the unit-cell volume and an increased background in the Raman spectra are observed. This suggests an additional phase transition that includes polymerization of the NCN<sup>2−</sup> anions.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108188"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837734","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
Unveiling potential of dual S-scheme derived Ag2S/BiVO4/AgI for cefixime photocatalytic degradation 揭示双s方案衍生的Ag2S/BiVO4/AgI光催化降解头孢克肟的潜力
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-16 DOI: 10.1016/j.solidstatesciences.2025.108184
Khalid A. Alzahrani , Sonu , Vatika Soni , Pankaj Raizada , Aftab Aslam Parwaz Khan , Naved Azum , Muhammad Nadeem Arshad , Pardeep Singh
{"title":"Unveiling potential of dual S-scheme derived Ag2S/BiVO4/AgI for cefixime photocatalytic degradation","authors":"Khalid A. Alzahrani ,&nbsp;Sonu ,&nbsp;Vatika Soni ,&nbsp;Pankaj Raizada ,&nbsp;Aftab Aslam Parwaz Khan ,&nbsp;Naved Azum ,&nbsp;Muhammad Nadeem Arshad ,&nbsp;Pardeep Singh","doi":"10.1016/j.solidstatesciences.2025.108184","DOIUrl":"10.1016/j.solidstatesciences.2025.108184","url":null,"abstract":"<div><div>The increasing global demand for drinkable water, intensified by human-induced environmental degradation, immediately calls for sustainable and advanced solutions to safeguard vital water resources. This research effectively improved the photodegradation of Cefixime by developing a new and efficient Ag<sub>2</sub>S/BiVO<sub>4</sub>/AgI nanocomposite utilizing a basic co-precipitation synthesis approach. The crystal size of Ag<sub>2</sub>S/BiVO<sub>4</sub>/AgI photocatalyst is around 16.20 nm, signifying strong interparticle bonding as confirmed from XRD spectra. The dual S-scheme heterojunction formed among BiVO<sub>4</sub>, AgI, and Ag<sub>2</sub>S enabled effective interfacial charge migration, significantly improving charge-carrier concentration, isolation, and migration, as confirmed by optoelectronic as well as electrochemical studies. Improved band alignment and light absorption across the visible range contributed to the superior photocatalytic response. Further, scavenger experiments revealed that •O<sub>2</sub><sup>−</sup> and •OH radicals as the dominant reactive species governing the photodegradation reaction. Consequently, the Ag<sub>2</sub>S/BiVO<sub>4</sub>/AgI nanocomposite attained an outstanding cefixime degradation efficacy of 95.31 %, and recyclability for five cycles depicting its remarkable photocatalytic potential as well as stability respectively. This research provides valuable understanding into designing multi-component S-scheme nanocomposite for next-generation environmental remediation technologies.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108184"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788668","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
Phase formation in the La2(WO4)3–In2(WO4)3 system and properties of a new double tungstate LaIn(WO4)3 La2(WO4)3 - in2 (WO4)3体系的相形成及新型双钨酸盐La2(WO4)3的性能
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-28 DOI: 10.1016/j.solidstatesciences.2025.108203
Bator Ayusheev , Tatyana Spiridonova , Sergey Solodovnikov , Zoya Solodovnikova , Vasiliy Yudin , Elena Khaikina
{"title":"Phase formation in the La2(WO4)3–In2(WO4)3 system and properties of a new double tungstate LaIn(WO4)3","authors":"Bator Ayusheev ,&nbsp;Tatyana Spiridonova ,&nbsp;Sergey Solodovnikov ,&nbsp;Zoya Solodovnikova ,&nbsp;Vasiliy Yudin ,&nbsp;Elena Khaikina","doi":"10.1016/j.solidstatesciences.2025.108203","DOIUrl":"10.1016/j.solidstatesciences.2025.108203","url":null,"abstract":"<div><div>The La<sub>2</sub>(WO<sub>4</sub>)<sub>3</sub>–In<sub>2</sub>(WO<sub>4</sub>)<sub>3</sub> system was investigated by X-ray diffraction (XRD) and differential scanning calorimetry (DSC), and its phase diagram was constructed. A new double tungstate LaIn(WO<sub>4</sub>)<sub>3</sub> was identified and shown to melt incongruently at 1100 °C. The crystal structure of this compound was determined by single-crystal XRD (space group <em>P</em> <span><math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span>, <em>a</em> = 7.5938(5) Å, <em>b</em> = 7.6397(5) Å, <em>c</em> = 16.8929(10) Å, α = 101.453(2)°, β = 96.398(2)°, γ = 98.323(2)°, <em>R</em><sub><em>F</em></sub> = 0.059). The structure consists of alternating blocks of wolframite-like In<sub>2</sub>W<sub>4</sub>O<sub>15</sub> and scheelite-like La<sub>2</sub>W<sub>2</sub>O<sub>9</sub>. Investigation of thermal behavior by high-temperature XRD (HTXRD) revealed that this phase exhibits low thermal expansion. The electrical conductivity of LaIn(WO<sub>4</sub>)<sub>3</sub>, studied by impedance spectroscopy, was σ = 9.3 × 10<sup>−8</sup> S/cm (<em>E</em><sub>a</sub> = 0.7 eV) at 200 °C and 1.7 × 10<sup>−5</sup> S/cm (<em>E</em><sub>a</sub> = 1.4 eV) at 800 °C. Bond-valence site energy (BVSE) calculations demonstrated the possibility of three-dimensional oxygen transport in the studied compound.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108203"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880685","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
Exploring the effect of cerium doping on the physical properties of Bi2Ca2-xCexCoO6 double perovskite oxides: Experimental and theoretical insights 探索铈掺杂对Bi2Ca2-xCexCoO6双钙钛矿氧化物物理性质的影响:实验和理论见解
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-22 DOI: 10.1016/j.solidstatesciences.2025.108189
Sanober Kanwal , Ahsan Illahi , Muhammad Kaleem , M. Anis-ur Rehman , Muhammad Tanzeel , Asma
{"title":"Exploring the effect of cerium doping on the physical properties of Bi2Ca2-xCexCoO6 double perovskite oxides: Experimental and theoretical insights","authors":"Sanober Kanwal ,&nbsp;Ahsan Illahi ,&nbsp;Muhammad Kaleem ,&nbsp;M. Anis-ur Rehman ,&nbsp;Muhammad Tanzeel ,&nbsp;Asma","doi":"10.1016/j.solidstatesciences.2025.108189","DOIUrl":"10.1016/j.solidstatesciences.2025.108189","url":null,"abstract":"<div><div>Rare earth (RE) elements are practical materials with a diverse range of applications by improving their structural, electronic, optical, and magnetic properties. The materials that have been synthesized are non-toxic, physically, and chemically stable. The primary goal of this work was to try to increase conductivity by adopting RE-based compounds. Trivalent cation doping and crystallite size reduction are two primary factors that are concentrated to increase conductivity. By using the co-precipitation method, Bi<sub>2</sub>Ca<sub>2-x</sub>Ce<sub>x</sub>CoO<sub>6</sub> double perovskite oxides doped with cerium Ce (0.00, 0.05, 0.10, and 0.15) are produced. Through the use of X-Ray Diffraction (XRD), we examine the structural nanoscale parameter. The successful incorporation of Ce is demonstrated by XRD, which validates the monoclinic single-phase crystal structure having space group <em>P</em>2<sub>1</sub>/<em>m</em> with minimal fluctuation in unit cell characteristics. According to results from density functional theory (DFT), Bi<sub>2</sub>Ca<sub>2-x</sub>Ce<sub>x</sub>CoO<sub>6</sub> being semiconductor with a direct bandgap value of 1.568 eV. At the optimal doping level of 10 % Ce, carrier concentration and electron transport are enhanced, resulting in a band gap reduction from 1.568 eV to 0.962 eV. The optical response shows an absorption coefficient of about 1.2 × 10<sup>4</sup> cm<sup>−1</sup> and a high dielectric constant, indicating strong light-matter interaction and excellent potential for optoelectronic applications. Due to its significant optical absorption in the visible light spectrum and adjustable intermediate bandgap, the Ce-doped Bi<sub>2</sub>Ca<sub>2-x</sub>Ce<sub>x</sub>CoO<sub>6</sub> system emerges as a promising candidate for next-generation energy conversion and optoelectronic devices.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108189"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837735","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
A dobrovolskyite-type Na4Ca(SO4)3 sulfate: structural phase transition, thermal expansion and ionic conductivity dobrovolsky型Na4Ca(SO4)3硫酸盐:结构相变、热膨胀和离子电导率
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-10 DOI: 10.1016/j.solidstatesciences.2025.108178
A.P. Shablinskii , O. Yu Shorets , Y.P. Biryukov , N.A. Melnikova , M.S. Avdontceva , R.S. Bubnova , A.V. Povolotskiy , M.G. Krzhizhanovskaya , V.L. Ugolkov , I.V. Murin , S.K. Filatov
{"title":"A dobrovolskyite-type Na4Ca(SO4)3 sulfate: structural phase transition, thermal expansion and ionic conductivity","authors":"A.P. Shablinskii ,&nbsp;O. Yu Shorets ,&nbsp;Y.P. Biryukov ,&nbsp;N.A. Melnikova ,&nbsp;M.S. Avdontceva ,&nbsp;R.S. Bubnova ,&nbsp;A.V. Povolotskiy ,&nbsp;M.G. Krzhizhanovskaya ,&nbsp;V.L. Ugolkov ,&nbsp;I.V. Murin ,&nbsp;S.K. Filatov","doi":"10.1016/j.solidstatesciences.2025.108178","DOIUrl":"10.1016/j.solidstatesciences.2025.108178","url":null,"abstract":"<div><div>The dobrovolskyite-type Na<sub>4</sub>Ca(SO<sub>4</sub>)<sub>3</sub> compound was obtained by rapid cooling of a melt. Crystal structure was solved and refined using single crystal X-ray diffraction (SCXRD) data (<em>R</em>3, <em>a</em> = 15.7355(3), <em>c</em> = 22.4023(5) Å, <em>V</em> = 4803.8(2) Å<sup>3</sup>, <em>R</em><sub>1</sub> = 0.053). The thermal behavior of Na<sub>4</sub>Ca(SO<sub>4</sub>)<sub>3</sub> was investigated using high-temperature powder X-ray diffraction (HTPXRD) from 30 to 840 °C. The HTPXRD data reveal a reversible <em>R</em>3 ↔ <em>P</em>6<sub>3</sub>/<em>mmc</em> phase transition at 280 °C. The crystal structure of the high-temperature polymorph (<em>P</em>6<sub>3</sub>/<em>mmc</em>) was refined <em>via</em> the Rietveld method using data collected at 820 °C (<em>P</em>6<sub>3</sub>/<em>mmc, a</em> = 5.38706(6), <em>c</em> = 7.82774(2) Å, <em>V</em> = 196.731(1) Å<sup>3</sup>, <em>Z</em> = 2, <em>R</em><sub>1</sub> = 0.060). The low-temperature Na<sub>4</sub>Ca(SO<sub>4</sub>)<sub>3</sub> (<em>R</em>3) polymorph exhibits highly anisotropic thermal expansion between 30 and 270 °C (α<sub><em>a</em></sub> = 26(1), α<sub><em>c</em></sub> = 53 (1), α<sub><em>V</em></sub> = 105 (2) × 10 <sup>−6</sup> °C<sup>–1</sup> at 30 °C). Bond-valence energy landscape (BVEL) maps, constructed using the crystal structure data for both polymorphs, predict potential Na<sup>+</sup> migration pathways. The calculated activation energies for migration at 30 °C are 1.64 eV within the <em>ab</em> plane and 1.61 eV along the <em>c</em> axis. Experimentally, the electrical conductivity is 5.89 × 10<sup>−6</sup> S/cm at 200 °C for the low-temperature modification and increases significantly to 7.06 × 10<sup>−2</sup> S/cm at 600 °C for the high-temperature modification. The activation energies E<sub>a</sub> for electrical conductivity are 1.21(4) eV and 0.49(2) eV for both polymorphs, respectively.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108178"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735823","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
Special issue on sustainable thermoelectrics materials and applications 可持续热电材料及应用特刊
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-27 DOI: 10.1016/j.solidstatesciences.2025.108057
Wenjie Xie , Andrei V. Kovalevsky , Qian Zhang
{"title":"Special issue on sustainable thermoelectrics materials and applications","authors":"Wenjie Xie ,&nbsp;Andrei V. Kovalevsky ,&nbsp;Qian Zhang","doi":"10.1016/j.solidstatesciences.2025.108057","DOIUrl":"10.1016/j.solidstatesciences.2025.108057","url":null,"abstract":"","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108057"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921484","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
Ball milling combined with activation preparation of sugarcane bagasse-derived porous carbon with microwave-absorbing property 球磨结合活化法制备具有吸波性能的蔗渣衍生多孔炭
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2026-03-01 Epub Date: 2025-12-27 DOI: 10.1016/j.solidstatesciences.2025.108190
Xiaolin Shi, Lihui Xu, Hong Pan, Chengjian Yao, Hong Zhao, Qianqian Zhu, Zihan Shen, Hao Dou, Yumei Wang
{"title":"Ball milling combined with activation preparation of sugarcane bagasse-derived porous carbon with microwave-absorbing property","authors":"Xiaolin Shi,&nbsp;Lihui Xu,&nbsp;Hong Pan,&nbsp;Chengjian Yao,&nbsp;Hong Zhao,&nbsp;Qianqian Zhu,&nbsp;Zihan Shen,&nbsp;Hao Dou,&nbsp;Yumei Wang","doi":"10.1016/j.solidstatesciences.2025.108190","DOIUrl":"10.1016/j.solidstatesciences.2025.108190","url":null,"abstract":"<div><div>The waste sugarcane bagasse was used as raw material to prepare sugarcane bagasse-derived porous carbon (BMBC) with microwave-absorbing property by ball milling combined with activation. The effect of the ball-milling speed, activation temperature, and the mass ratio of carbon to activator on microstructure and microwave absorption performance of sugarcane bagasse-derived porous carbon were investigated. Ball milling technology can break the blocky carbonized biochar into small pieces and increase the accessible surface area for the activation process. When the ball milling speed was 200r/min, activation temperature was 700 °C, and the mass ratio of carbon to activator was 1:4, the results showed that the obtained BMBC material had porous microstructure with specific surface area of 3625.035 m<sup>2</sup>/g. Raman tests showed that the obtained BMBC material exhibited high graphitization. The prepared BMBC material provides abundant interfacial polarization sites. Moreover, the porous structure provided sufficient internal space for the incident wave to undergo multiple reflections and refractions, thereby improving the microwave absorption of the material. Therefore, the prepared BMBC showed the minimum reflection loss value of −30.264 dB with an optimal thickness of 3.5 mm within the 2–18 GHz range. These results confirmed that porous carbon could be successfully prepared from waste sugarcane bagasse for microwave absorption by ball milling combined with chemical activation. The article provided a low-cost, novel, and green method to produce microwave absorption material.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"173 ","pages":"Article 108190"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880699","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书