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Pentanary and hexanary alkali lanthanide germanates grown from lanthanide rich flux growth reactions 从富镧通量生长反应中生长出五、六系碱系锗酸盐
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-27 DOI: 10.1016/j.solidstatesciences.2025.108055
Gregory Morrison, K. Pilar Zamorano, Virginia G. Jones, Ethan N. Adams, Hans-Conrad zur Loye
{"title":"Pentanary and hexanary alkali lanthanide germanates grown from lanthanide rich flux growth reactions","authors":"Gregory Morrison,&nbsp;K. Pilar Zamorano,&nbsp;Virginia G. Jones,&nbsp;Ethan N. Adams,&nbsp;Hans-Conrad zur Loye","doi":"10.1016/j.solidstatesciences.2025.108055","DOIUrl":"10.1016/j.solidstatesciences.2025.108055","url":null,"abstract":"<div><div>Single crystals of five compounds of a new structure type, the K<sub>3</sub>Nd<sub>52</sub>Ge<sub>12</sub>O<sub>100</sub>F<sub>7</sub> type, were grown from lanthanide rich reactions using a KF/KCl flux: K<sub>3</sub>Ln<sub>52</sub>Ge<sub>12</sub>O<sub>100</sub>F<sub>7</sub> (Ln = Nd, Eu), K<sub>3</sub>Ln<sub>52</sub>Ge<sub>12</sub>O<sub>100+δ</sub>F<sub>7-δ</sub> (Ln = Pr, Tb), and K<sub>3</sub>Ca<sub>0.872</sub>Nd<sub>51.128</sub>Ge<sub>12</sub>O<sub>99.128</sub>F<sub>7.872</sub>. The five compounds crystallize in the cubic space group <em>I</em>-43<em>d</em> with lattice parameter 22.0350(2) Å for K<sub>3</sub>Nd<sub>52</sub>Ge<sub>12</sub>O<sub>100</sub>F<sub>7.</sub> The structure consists of a 3D checkerboard of LnX<sub>8</sub>, LnX<sub>7</sub>, LnX<sub>6</sub>, and GeO<sub>4</sub> polyhedra, where X = O/F, and can be conceptually derived from the fluorite structure. K<sub>3</sub>Eu<sub>52</sub>Ge<sub>12</sub>O<sub>100</sub>F<sub>7</sub> exhibits the fluorescence typical of Eu<sup>3+</sup>.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108055"},"PeriodicalIF":3.3,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144916415","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
Understanding thermal effects on band gap and absorption in MAPbI3 perovskite solar cells 热效应对MAPbI3钙钛矿太阳能电池带隙和吸收的影响
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-26 DOI: 10.1016/j.solidstatesciences.2025.108054
Hamid Shahivandi
{"title":"Understanding thermal effects on band gap and absorption in MAPbI3 perovskite solar cells","authors":"Hamid Shahivandi","doi":"10.1016/j.solidstatesciences.2025.108054","DOIUrl":"10.1016/j.solidstatesciences.2025.108054","url":null,"abstract":"<div><div>As a key parameter governing the optoelectronic properties of semiconductors, the band gap plays a crucial role in determining the performance of solar cells. In this study, we investigate the temperature dependence of the band gap and absorption coefficient of methylammonium lead iodide (MAPbI<sub>3</sub>) perovskite. Unlike conventional semiconductors such as silicon, where the band gap decreases with increasing temperature, MAPbI<sub>3</sub> exhibits the opposite trend, with the band gap increasing as the temperature rises. By analyzing the structural properties of perovskites and other materials with similar behavior, we propose a theoretical framework to explain this phenomenon. We attribute this behavior to the presence of group-14 atoms, and the influence of their s-orbital electrons. Furthermore, a discontinuity is observed in the temperature dependence of the MAPbI<sub>3</sub> band gap, which we link to changes in the density of states associated with the I–Pb–I bending mode during the orthorhombic-to-tetragonal phase transition. Based on these findings, we present a theoretical model that accurately describes the temperature dependence of the MAPbI<sub>3</sub> band gap, showing excellent agreement with experimental data. Using this model, we further derive the temperature dependence of the absorption coefficient, providing valuable insights into the optical properties of perovskite-based solar cells.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108054"},"PeriodicalIF":3.3,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144916416","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
N,N′-dimethylethylenediammonium cation as a template for layered inorganic frameworks and beyond N,N ' -二甲基乙二铵阳离子作为层状无机框架及其他模板
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-21 DOI: 10.1016/j.solidstatesciences.2025.108053
V. Yu Grishaev , D.O. Charkin , V.E. Kireev , A.M. Gorianskii , A.A. Kompanchenko , A.M. Banaru , O.I. Siidra , S.M. Aksenov
{"title":"N,N′-dimethylethylenediammonium cation as a template for layered inorganic frameworks and beyond","authors":"V. Yu Grishaev ,&nbsp;D.O. Charkin ,&nbsp;V.E. Kireev ,&nbsp;A.M. Gorianskii ,&nbsp;A.A. Kompanchenko ,&nbsp;A.M. Banaru ,&nbsp;O.I. Siidra ,&nbsp;S.M. Aksenov","doi":"10.1016/j.solidstatesciences.2025.108053","DOIUrl":"10.1016/j.solidstatesciences.2025.108053","url":null,"abstract":"<div><div>The templating role of the <em>N,N′</em>-dimethylethylenediammonium (dmedaH<sub>2</sub>)<sup>2+</sup> cation in the synthesis of layered inorganic frameworks has been focused on transition metal hydroselenites and hydrophosphites. Under this work new compounds with the general formula (dmedaH<sub>2</sub>)[<em>M</em>(HSeO<sub>3</sub>)<sub>2</sub><em>X</em><sub>2</sub>] (<em>M</em> = Mn, Co, Cu, Cd; <em>X</em> = Cl, Br) and (dmedaH<sub>2</sub>)[Mn(H<sub>2</sub>PO<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub>], which adopt layered structures with distinct hydrogen-bonded motifs, have been synthesized and characterized by single crystal X-ray analysis. The (dmedaH<sub>2</sub>)<sup>2+</sup> cation exhibits a dual role: stabilizing targeted 2D architectures and directing the formation of side products, such as (dmedaH<sub>2</sub>)[Cd<sub>2</sub>Cl<sub>4</sub>(HSeO<sub>3</sub>)<sub>2</sub>]·2H<sub>2</sub>O and (dmedaH<sub>2</sub>)[Cu(SeO<sub>2</sub>Br)Br<sub>3</sub>] (containing rare SeO<sub>2</sub>Br<sup>−</sup> anions). Topological analysis reveals the structural complexity and connectivity of these stuctures, highlighting the interplay between cation geometry and inorganic layers. The work underscores the templating potential of dmedaH<sub>2</sub><sup>2+</sup> in designing novel materials, while also demonstrating limitations imposed by steric and electronic factors. These findings advance the understanding of organic-inorganic hybrid systems and their structural diversity.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"169 ","pages":"Article 108053"},"PeriodicalIF":3.3,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922452","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
Modifying of structural, dielectric, electrical conductivity and linear/nonlinear optical properties of PVA doped with MnO2-SiO2 nanoparticles for optoelectronic and radiation attenuation applications MnO2-SiO2纳米颗粒掺杂PVA的结构、介电、电导率和线性/非线性光学性能的改性及其在光电和辐射衰减中的应用
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-21 DOI: 10.1016/j.solidstatesciences.2025.108051
Majeed Ali Habeeb , Waleed Khalid Kadhim , Mamoun Fellah , Noureddine Elboughdiri
{"title":"Modifying of structural, dielectric, electrical conductivity and linear/nonlinear optical properties of PVA doped with MnO2-SiO2 nanoparticles for optoelectronic and radiation attenuation applications","authors":"Majeed Ali Habeeb ,&nbsp;Waleed Khalid Kadhim ,&nbsp;Mamoun Fellah ,&nbsp;Noureddine Elboughdiri","doi":"10.1016/j.solidstatesciences.2025.108051","DOIUrl":"10.1016/j.solidstatesciences.2025.108051","url":null,"abstract":"<div><div>The solution cast method was used to create the (PVA-MnO<sub>2</sub>-SiO<sub>2</sub>) nanocomposites. The samples included an organic host matrix made of polyvinyl alcohol (PVA) combined with varying weight percentages of nano manganese oxide (MnO<sub>2</sub>), namely nano-silicon dioxide (SiO<sub>2</sub>). The structural, optical (both linear<strong>/</strong>nonlinear), and electrical characteristics of PVA-MnO<sub>2</sub>-SiO<sub>2</sub> nanocomposites were investigated in this work. When compared to pure PVA, the ‘FTIR’ analysis showed differences in shape, intensity, and peak status. Continuous chains occur in the polymer's structure as a result of the uniform dispersion of nanoparticles, as shown in the optical microscope photos. The absorbance, absorption coefficient, extinction coefficient, refractive index, actual and imaginary dielectric constants, and optical conductivity of pure PVA were all shown to increase with the quantity of (MnO<sub>2</sub>-SiO<sub>2</sub>) nanoparticles. The transmittance decreased as the number of (MnO<sub>2</sub>-SiO<sub>2</sub>) nanoparticles rose. For the allowed indirect transitions, the energy gap of (PVA-MnO<sub>2</sub>-SiO<sub>2</sub>) PNCs dropped from 4.42 to 3.61 eV, while for the prohibited one, it dropped from 4 to 3.13 eV. While Urbach tail energy (<strong><em>E</em><sub><em>u</em></sub></strong>), linear susceptibility (<strong><em>χ</em><sup><em>(1</em></sup></strong><sup>)</sup>), nonlinear susceptibility (<strong><em>χ</em><sup><em>(3</em></sup></strong><sup>)</sup>), zero-frequency dielectric constant (ε<sub>o</sub>), average oscillator parameter (<strong><em>λ</em><sub><em>o</em></sub></strong>), nonlinear refractive index (n<sub>2</sub>), and zero-frequency refractive index (<strong><em>n</em><sub><em>o</em></sub></strong>) all increase with increasing nanoparticles, single-oscillator energy (<strong><em>E</em><sub><em>o</em></sub></strong>), dispersion energy (<strong><em>E</em><sub><em>d</em></sub></strong>), and average oscillator strength (<strong><em>S</em><sub><em>o</em></sub></strong>) decrease. Significant UV absorption is observed in the PVA-MnO<sub>2</sub>-SiO<sub>2</sub> nanocomposites. At room temperature, the A.C. electrical properties of nanocomposites were examined throughout a frequency range of 1 × 10<sup>2</sup> Hz to 5 MHz. The experimental findings showed that when the applied electric field frequency increased, the dielectric constant and dielectric loss of the PVA-MnO<sub>2</sub>-SiO<sub>2</sub> nanocomposites reduced. A.C. electrical conductivity increases as frequency does. The dielectric constant, dielectric loss, and A.C. electrical conductivity of pure PVA increased in tandem with the quantity of (MnO<sub>2</sub>-SiO<sub>2</sub>) nanoparticles. Utilizing PVA-MnO<sub>2</sub>-SiO<sub>2</sub> polymeric nanostructures in a variety of electrical and optoelectronic applications may be made possible by these findings. The PNCs films made of PVA and MnO<sub>2</s","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108051"},"PeriodicalIF":3.3,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144892049","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
Features of antibiotic and bacteria decomposition under visible light by photocatalysts based on some β-pyrochlores in system CsMxW2-xO6 (x= 0–0.5, M = Sn, Mo, V) CsMxW2-xO6体系(x= 0-0.5, M = Sn, Mo, V)中某些β-焦绿石光催化剂对抗生素和细菌的可见光分解特性
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-20 DOI: 10.1016/j.solidstatesciences.2025.108052
Alexander S. Ganov, Diana G. Fukina, Andrey Yu Shishkin, Alina A. Parchacheva, Andrey V. Koryagin, Kseniya A. Shishkina, Ilya S. Belyansky, Vasily F. Smirnov, Evgeny V. Suleimanov
{"title":"Features of antibiotic and bacteria decomposition under visible light by photocatalysts based on some β-pyrochlores in system CsMxW2-xO6 (x= 0–0.5, M = Sn, Mo, V)","authors":"Alexander S. Ganov,&nbsp;Diana G. Fukina,&nbsp;Andrey Yu Shishkin,&nbsp;Alina A. Parchacheva,&nbsp;Andrey V. Koryagin,&nbsp;Kseniya A. Shishkina,&nbsp;Ilya S. Belyansky,&nbsp;Vasily F. Smirnov,&nbsp;Evgeny V. Suleimanov","doi":"10.1016/j.solidstatesciences.2025.108052","DOIUrl":"10.1016/j.solidstatesciences.2025.108052","url":null,"abstract":"<div><div>The powders of CsW<sub>2</sub>O<sub>6</sub>, CsM<sub>0.25</sub>W<sub>1.75</sub>O<sub>6</sub> (M = Sn, V) and CsMo<sub>x</sub>W<sub>2-x</sub>O<sub>6</sub> (x = 0.1, 0.25, 0.5) with β-pyrochlore structure were synthesized by sol-gel method. The phase and elemental composition individuality has been confirmed by X-ray diffraction analysis and X-ray microanalysis. The particle size distribution by volume of prepared powder has shown that average particle size is about 400–500 nm, whereas the specific surface area changes in the range 7–36 m<sup>2</sup>/g depended on composition. The mechanism of photocatalytic decomposition using CsW<sub>2</sub>O<sub>6</sub>, CsM<sub>0.25</sub>W<sub>1.75</sub>O<sub>6</sub> (M = Sn, V) and CsMo<sub>x</sub>W<sub>2-x</sub>O<sub>6</sub> (x = 0.1, 0.25, 0.5) has been investigated, the high influence the recombination process on the conversion degree was detected. The photocatalytic decomposition of levofloxacin and bacteria was studied under visible light irradiation.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108052"},"PeriodicalIF":3.3,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144889435","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
Boosting CO2-to-CO conversion: MNB(X) photocatalyst enables highly efficient photocatalytic reduction 促进CO2-to-CO转化:MNB(X)光催化剂实现高效的光催化还原
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-16 DOI: 10.1016/j.solidstatesciences.2025.108050
Ayixia Qiong , Kaiqiang Liu , Honghao Li , Nasiman Tuerxun
{"title":"Boosting CO2-to-CO conversion: MNB(X) photocatalyst enables highly efficient photocatalytic reduction","authors":"Ayixia Qiong ,&nbsp;Kaiqiang Liu ,&nbsp;Honghao Li ,&nbsp;Nasiman Tuerxun","doi":"10.1016/j.solidstatesciences.2025.108050","DOIUrl":"10.1016/j.solidstatesciences.2025.108050","url":null,"abstract":"<div><div>The photocatalytic conversion of carbon dioxide (CO<sub>2</sub>) into value-added chemicals represents a promising strategy for addressing both environmental challenges and the global energy crisis. In this study, a BiOCl-based photocatalyst with a thin-layered architecture enriched with oxygen vacancies (OVs) was synthesized via a hydrothermal approach. To further enhance its photocatalytic performance, a porous carbon material was integrated into the BiOCl matrix. Among the prepared composites, the MNB(1:1) photocatalyst exhibited the highest activity for CO<sub>2</sub> reduction, achieving a CO production rate of 65.47 μ mol·g<sup>−1</sup> after 4 h of irradiation under simulated sunlight. This superior performance could be attributed to the enhanced charge separation efficiency and expanded visible-light absorption range. Additionally, the introduction of porous carbon significantly increased the specific surface area and CO<sub>2</sub> adsorption capacity of the composite, thereby offering more accessible active sites for photocatalytic reactions. This work provided valuable insights into the rational design of low-cost, efficient, and stable BiOCl-based photocatalysts for solar-driven CO<sub>2</sub> reduction.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"169 ","pages":"Article 108050"},"PeriodicalIF":3.3,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144989100","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
Lead-free X2MgGeI6 (X = Rb, Cs) double perovskites for multi-functional energy applications: A DFT and SCAPS-1D Perspective 用于多功能能源应用的无铅X2MgGeI6 (X = Rb, Cs)双钙钛矿:DFT和SCAPS-1D视角
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-15 DOI: 10.1016/j.solidstatesciences.2025.108049
Asif Nawaz Khan , Naimat Ullah Khan , Muhammad Kaleem , Muhammad Tanzeel , Amna Nasir , Asif Hosen , Ali Akremi , Imed Boukhris
{"title":"Lead-free X2MgGeI6 (X = Rb, Cs) double perovskites for multi-functional energy applications: A DFT and SCAPS-1D Perspective","authors":"Asif Nawaz Khan ,&nbsp;Naimat Ullah Khan ,&nbsp;Muhammad Kaleem ,&nbsp;Muhammad Tanzeel ,&nbsp;Amna Nasir ,&nbsp;Asif Hosen ,&nbsp;Ali Akremi ,&nbsp;Imed Boukhris","doi":"10.1016/j.solidstatesciences.2025.108049","DOIUrl":"10.1016/j.solidstatesciences.2025.108049","url":null,"abstract":"<div><div>This research aims to explore cost-effective and eco-friendly stable lead-free double halide perovskites X<sub>2</sub>MgGeI<sub>6</sub> (X = Rb, Cs) for renewable energy applications. All computations were performed using WIEN2k. The PBE-GGA was used to optimize crystal structure, and the TB-mBJ potential estimated electronic characteristics. The compound X<sub>2</sub>MgGeI<sub>6</sub> (X = Rb, Cs) is tested for power conversion efficiency using SCAPS-1D. Thermodynamics and structural stability were assessed using molecular dynamics, negative formation energies, and tolerance factor calculations. Both Rb<sub>2</sub>MgGeI<sub>6</sub> and Cs<sub>2</sub>MgGeI<sub>6</sub> exhibit indirect semiconductor nature with energy band gaps of 1.5 and 1.495 eV. Due to their lower effective masses and exciton binding energies, and promising optical characteristics, the understudy compounds may be used in solar cells and optoelectronic devices. Photocatalytic properties make the investigated materials promising hydrogen splitting candidates for solar-powered water splitting. Moreover, X<sub>2</sub>MgGeI<sub>6</sub> (X = Rb, Cs) has significant solar energy conversion potential, achieving (30–32)% power conversion efficiency (PCE).</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108049"},"PeriodicalIF":3.3,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144878299","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 equilibria and properties of complex oxides in the ½ Eu2O3 – ½ Fe2O3 – CoO system 1 / 2 Eu2O3 - 1 / 2 Fe2O3 - CoO体系中复合氧化物的相平衡和性质
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-13 DOI: 10.1016/j.solidstatesciences.2025.108048
N.E. Volkova, T.V. Aksenova, L.Ya. Gavrilova, V.A. Cherepanov
{"title":"Phase equilibria and properties of complex oxides in the ½ Eu2O3 – ½ Fe2O3 – CoO system","authors":"N.E. Volkova,&nbsp;T.V. Aksenova,&nbsp;L.Ya. Gavrilova,&nbsp;V.A. Cherepanov","doi":"10.1016/j.solidstatesciences.2025.108048","DOIUrl":"10.1016/j.solidstatesciences.2025.108048","url":null,"abstract":"<div><div>Phase equilibria in the ½ Eu<sub>2</sub>O<sub>3</sub> – ½ Fe<sub>2</sub>O<sub>3</sub> – CoO system are studied at 1100 °C in air. A continuous series of EuFe<sub>1-<em>x</em></sub>Co<sub><em>x</em></sub>O<sub>3-δ</sub> solid solutions between europium ferrite and europium cobaltite with an orthorhombically distorted perovskite structure (SG <em>Pbnm</em>) has been confirmed. The unit cell parameters and unit cell volume of EuFe<sub>1-<em>x</em></sub>Co<sub><em>x</em></sub>O<sub>3-δ</sub> solid solutions obey Vegard's law. The homogeneity ranges of solid solutions in quasi-binary ½ Fe<sub>2</sub>O<sub>3</sub> – CoO constituent subsystems at 1100 °C in air, taken from various works, are analyzed, and a phase diagram for the ½ Eu<sub>2</sub>O<sub>3</sub> – ½ Fe<sub>2</sub>O<sub>3</sub> – CoO system, consisting of 4 two-phase and 3 three-phase fields is constructed. The oxygen content in EuFe<sub>1-<em>x</em></sub>Co<sub><em>x</em></sub>O<sub>3-δ</sub> solid solutions is determined by the hydrogen reduction and iodometric titration methods. Oxygen losses with increasing temperature are small, maximum oxygen deficiency δ at 1000<em>°</em>C does not exceed 0.05. Linear thermal expansion of EuFe<sub>1-<em>x</em></sub>Co<sub><em>x</em></sub>O<sub>3-δ</sub> ceramics was measured by dilatometry. The nonlinear behavior of the dilatometric curves is discussed in terms of a possible change in the spin state of Co<sup>3+</sup> ions. Electrical conductivity, which is low at room temperature and does not differ for all the samples studied, increases significantly with increasing temperature and Co content.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108048"},"PeriodicalIF":3.3,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144852811","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
Structure, thermal properties and phase transition in RbCdHfF7: experiments and lattice dynamics calculations RbCdHfF7的结构、热性能和相变:实验和晶格动力学计算
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-12 DOI: 10.1016/j.solidstatesciences.2025.108042
Evgeniy V. Bogdanov , Maxim S. Molokeev , Mikhail V. Gorev , Andrey V. Kartashev , Maxim S. Pavlovskiy , E.I. Pogoreltsev , Natalia M. Laptash , Igor N. Flerov
{"title":"Structure, thermal properties and phase transition in RbCdHfF7: experiments and lattice dynamics calculations","authors":"Evgeniy V. Bogdanov ,&nbsp;Maxim S. Molokeev ,&nbsp;Mikhail V. Gorev ,&nbsp;Andrey V. Kartashev ,&nbsp;Maxim S. Pavlovskiy ,&nbsp;E.I. Pogoreltsev ,&nbsp;Natalia M. Laptash ,&nbsp;Igor N. Flerov","doi":"10.1016/j.solidstatesciences.2025.108042","DOIUrl":"10.1016/j.solidstatesciences.2025.108042","url":null,"abstract":"<div><div>A mixed-cation fluoride RbCdHfF<sub>7</sub> was synthesized. The room temperature structure was determined as orthorhombic (<em>Cmcm</em>, <em>Z</em> = 4). Comprehensive studies of thermal properties and permittivity revealed a phase transition of a non-ferroelectric nature at <em>T</em><sub>0</sub> = 207 K.</div><div>Calculations using the density functional theory, as well as the behavior of the order parameter Ω(<em>T</em>), indicate a doubling of the unit cell volume in the low-temperature phase, which is associated with an unstable mode at the <em>S</em> boundary point of the Brillouin zone. The monoclinic symmetry (<em>P</em>2<sub>1</sub>/<em>c</em>, <em>Z</em> = 4) was chosen for phase below <em>T</em><sub>0</sub>. Very high sensitivity to hydrostatic pressure and low entropy of structural transformation were found and discussed.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108042"},"PeriodicalIF":3.3,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144865220","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
Influence of Ti-Zn doping on the structural, ferroelectric and optical properties of BiFeO3 ceramics synthesized via the solid-state reaction Ti-Zn掺杂对固相反应合成的BiFeO3陶瓷结构、铁电性能和光学性能的影响
IF 3.3 3区 化学
Solid State Sciences Pub Date : 2025-08-08 DOI: 10.1016/j.solidstatesciences.2025.108047
J.C. Leal-Zayas , J.M. Yáñez-Limón , C. Vargas-Arana , J. Flores-Valenzuela , J.E. Leal-Perez , R.A. Vargas-Ortiz
{"title":"Influence of Ti-Zn doping on the structural, ferroelectric and optical properties of BiFeO3 ceramics synthesized via the solid-state reaction","authors":"J.C. Leal-Zayas ,&nbsp;J.M. Yáñez-Limón ,&nbsp;C. Vargas-Arana ,&nbsp;J. Flores-Valenzuela ,&nbsp;J.E. Leal-Perez ,&nbsp;R.A. Vargas-Ortiz","doi":"10.1016/j.solidstatesciences.2025.108047","DOIUrl":"10.1016/j.solidstatesciences.2025.108047","url":null,"abstract":"<div><div>BiFeO<sub>3</sub> is a perovskite-type structure material with diverse applications in modern devices. In this study, powders and bulk ceramics of the solid solution BiFe<sub>1-2x</sub>Ti<sub>x</sub>Zn<sub>x</sub>O<sub>3</sub>, also known as BFTZ, were synthesized via a solid-state reaction, and their physical properties were analyzed. Structural properties obtained by X-ray diffraction and Rietveld refinements revealed that the incorporation of Ti and Zn ions in the solid solution increased the lattice parameter “a” (from 5.5825 Å to 5.6039 Å) and decreased the “c” parameter (from 13.8720 Å to 13.7713 Å). The coexistence of the <em>R</em>3<em>c</em> and <em>P</em>4<em>mm</em> crystalline phases was determined, specifically the phase transition from <em>R</em>3<em>c</em> to <em>P</em>4<em>mm</em> with the addition of 10 % Ti–Zn in the solid solution. Scanning electron micrographs revealed a decrease in the average grain size from 624 nm to 221 nm. Ferroelectric measurements revealed an increase in the remnant polarization from 0.058 μC/cm<sup>2</sup> to 0.863 μC/cm<sup>2</sup>. Finally, the material's band gap remained within the visible light range in all samples, increasing from 2.26 eV to 2.35 eV. This demonstrates that the obtained material is a candidate for use in optoelectronic devices with ferroelectric properties.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"168 ","pages":"Article 108047"},"PeriodicalIF":3.3,"publicationDate":"2025-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144852810","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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