Journal of Solid State Chemistry最新文献

{"title":"Study of photoluminescence sites in Ag-loaded Na–Y type zeolite","authors":"Junya Narumi ,&nbsp;Haruki Meguro ,&nbsp;Takafumi Miyanaga ,&nbsp;Yushi Suzuki","doi":"10.1016/j.jssc.2025.125626","DOIUrl":"10.1016/j.jssc.2025.125626","url":null,"abstract":"<div><div>The origin of photoluminescence (PL) was identified as Ag-loaded Na-type Y-type zeolites. To clarify the origin of PL, identifying the luminescent sites of Ag in the zeolite is important. Therefore, we studied the Ag coordination sites when PL development occurs with reduced Ag loading in the zeolite. Using aqueous AgNO3 solutions adjusted to 0.3–1.0 mol/L, we manipulated Ag loading. Quantitative measurements taken using electron probe microanalysis (EPMA) indicated the amounts of Ag atoms per unit cell of the zeolite as 1.3–4.9. The PL measurement results indicated that the PL intensity increased as the Ag loading increased up to 2.0. Furthermore, PL intensity decreased as Ag loading exceeded 2.0. X-ray absorption fine structure (XAFS) measurements showed that up to 2.0 Ag is preferentially coordinated to the center of the hexagonal prisms (Site I) in the zeolite framework. Furthermore, findings indicate that Ag coordinates to the 6-ring (sites I′, II’) in addition to Site I when the number of Ag is greater than 2.0. These results revealed Site I as the luminescence site and sites I′ and II’ as luminescence inhibition sites.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125626"},"PeriodicalIF":3.5,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145027599","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":"Screening of p-type transparent conducting materials for binary heavy metal chalcogenides","authors":"Gui-Zhu Ran ,&nbsp;Ya-Le Tao ,&nbsp;Zheng-Tang Liu ,&nbsp;Qi-Jun Liu","doi":"10.1016/j.jssc.2025.125638","DOIUrl":"10.1016/j.jssc.2025.125638","url":null,"abstract":"<div><div>This study uses density functional theory to screen p-type transparent conductive materials (TCMs) for optoelectronic applications, focusing on binary heavy metal chalcogenides. 180 materials from the Materials Project Database were analyzed for electronic structures, optical properties, and transport characteristics. 16 candidates with bandgaps between 1 and 4 eV were identified. Further hybrid functional calculations, hole effective mass evaluations, and p-type conductivity analysis revealed 8 suitable materials, with 4 showing good stability. ZnS, ZnS₂ and ZnTe performed best, with ZnTe manifesting conductivity of 240.84 S cm⁻¹. The findings offer valuable insights for developing p-type materials in optoelectronics.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125638"},"PeriodicalIF":3.5,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019300","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":"Boosting bifunctional and overall water splitting activity by direct fabricating bimetallic metal hydroxide catalyst on nickel foam","authors":"Gunasekaran Arunkumar ,&nbsp;Govindan Deviga ,&nbsp;Mariappan Mariappan ,&nbsp;Mehboobali Pannipara ,&nbsp;Abdullah G. Al-Sehemi ,&nbsp;Savarimuthu Philip Anthony","doi":"10.1016/j.jssc.2025.125629","DOIUrl":"10.1016/j.jssc.2025.125629","url":null,"abstract":"<div><div>Bimetallic cobalt-nickel metal nitrate hydroxide electrocatalyst fabricated on a conducting nickel foam (NF) displayed excellent bifunctional electrocatalytic activity and improved overall water splitting. X-ray photoelectron spectroscopy (XPS) analysis confirmed the presence of Co and Ni and HR-SEM suggested the formation of crystalline needle nanostructures. The individual CoNH and NiNH required overpotential of 330 and 317 mV in OER and 267 and 293 mV in HER, respectively to produce 50 mA/cm² current density. In contrast, bimetallic CoNiNH required lower overpotential (292 mV in OER and 242 mV in HER) to achieve 50 mA/cm² current density. The bifunctional activity of CoNiNH was utilized for overall water splitting, which required relatively low cell potential (1.65 V) to produce 10 mA/cm² current density. Further, the overall water splitting of CoNiNH activity was investigated in sea water also. The relatively low Tafel slope and improved charge transfer of bimetallic CoNiNH indicated the faster kinetics and supported the strong electrocatalytic activity.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125629"},"PeriodicalIF":3.5,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145010798","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":"Optimized electrochemical performance of Pr2NiO4 via partial Ni-substitution with molybdenum","authors":"Jihai Cheng,&nbsp;Panbo Xie,&nbsp;Wenyi Zhang,&nbsp;Maole Zong","doi":"10.1016/j.jssc.2025.125627","DOIUrl":"10.1016/j.jssc.2025.125627","url":null,"abstract":"<div><div>This research aimed to develop novel Pr₂NiO₄-based cathodes for solid oxide fuel cells (SOFCs) through partial substitution of Ni with Mo. Pr₂Ni_1-<em>x</em>Mo_<em>x</em>O₄ (<em>x</em> = 0, 0.01, 0.015, 0.02, 0.025) cathode powders were prepared via the sol-gel combustion method. The phase structure of the as-prepared powders was characterized by X-ray diffraction (XRD), and the microstructure was examined using scanning electron microscopy (SEM). Electrical conductivity was measured by the DC four-terminal method, and the electrochemical performance of the half-cells was evaluated using electrochemical impedance spectroscopy (EIS). The Pr₂Ni_1-<em>x</em>Mo_<em>x</em>O₄ powders exhibiting good chemical stability and thermal expansion matching with the Ce_0.8Gd_0.2O_1.9electrolyte. Mo doping significantly improved the electrical conductivity of Pr₂NiO₄. The electrical conductivity of the Pr₂Ni₀_·₉₈₅Mo₀_·₀₁₅O₄ (<em>x</em> = 0.015) reached 129.07 S cm⁻¹ at 450 °C. EIS results revealed that Mo doping markedly reduced the polarization resistance (Rp), and the lowest value obtained was 0.021 Ω cm² for the Pr₂Ni₀_·₉₈₅Mo₀_·₀₁₅O₄ sample. These findings suggest that Mo-doped Pr₂NiO₄ cathodes possess enhanced oxygen reduction reaction activity.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125627"},"PeriodicalIF":3.5,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019299","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, crystal and electronic structure of Y2OSe2","authors":"A.V. Bausk ,&nbsp;I.O. Yurev ,&nbsp;M.S. Molokeev ,&nbsp;A.S. Aleksandrovsky ,&nbsp;A.S. Oreshonkov ,&nbsp;A.S. Krylov ,&nbsp;N.V. Ustugova ,&nbsp;O.I. Efremova ,&nbsp;O.V. Andreev","doi":"10.1016/j.jssc.2025.125637","DOIUrl":"10.1016/j.jssc.2025.125637","url":null,"abstract":"<div><div>Y₂OSe₂, a novel phosphor matrix, was first synthesized via sintering/melt crystallization of Y₂Se₃ and Y₂O₂Se precursors. Guided by LLM predictions (accurately forecasting synthesis at 800–1000 °C and incongruent melting ∼1450 °C), it crystallizes orthorhombically (<em>Pnma</em>, Gd₂OSe₂-type; <em>a</em> = 15.9748 (2), <em>b</em> = 3.89420 (5), <em>c</em> = 6.96804 (9) Å, <em>V</em> = 433.476 (10) ų, <em>Z</em> = 4), contrasting the LLM's initial monoclinic (<em>P</em>2₁/<em>c</em>) prediction. Particles are oval with layered granular morphology (microhardness 290 ± 8 HV). The phase is stable under standard conditions and melts incongruently at 1470 ± 8 °C (forming melt + Y₂O₂Se), validating LLM thermal forecasts. Polycrystalline Y₂OSe₂ coexists in equilibrium with Y₂Se₃ or Y₂O₂Se. Raman spectra analysis, combining experimental data and DFT calculations, was performed. It has been shown that in the crystal structure of Y₂OSe₂, ion vibrations exhibit collective behavior in the low-frequency region, while the intense peaks above 110 cm^–1 are mainly due to vibrations of specific types of ions. The simulation of the band structure and of the absorption spectrum reveals the origin of the onset of fundamental absorption, namely, the onset of direct transition at 1.76 eV into highly dispersive part of conduction band that contributes to the indirect bandgap, then the onset of more pronounced absorption above 3 eV at transitions to less dispersive part of conduction band. Four of five experimentally observed bands in the absorption spectrum are present in the simulated spectrum. Observed features are common to a variety of chalcogenides that were investigated in last two years.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125637"},"PeriodicalIF":3.5,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005265","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":"Flexible all-solid-state supercapacitor with boosted energy density based on Ni(OH)2/nanoporous Ni composite electrodes","authors":"Yi Zhang ,&nbsp;Donghui Zheng ,&nbsp;Hao Wang ,&nbsp;Xinhao Sun ,&nbsp;Jun Zhou ,&nbsp;Yongyan Li ,&nbsp;Chunling Qin","doi":"10.1016/j.jssc.2025.125639","DOIUrl":"10.1016/j.jssc.2025.125639","url":null,"abstract":"<div><div>This work successfully synthesizes an integrated flexible-porous Ni(OH)₂/nanoporous-Ni (Ni(OH)₂/np-Ni) composite electrode by a facile and eco-friendly one-step water-immersion approach. As such, the symmetric banded all-solid-state supercapacitor (BFAS) device assembled by Ni(OH)₂/np-Ni exhibits impressive energy density (41.4 mWh cm⁻³) and outstanding cyclic durability (93% after 3000 cycles). Significantly, the device maintains the flexibility of electrode materials and can be curved into bent, round, and waved while preserving excellent electrochemical performance under various bending. Even after 800 continuous bends, the capacitance retention rate still reaches 88%. Moreover, illuminating a LED with an all-solid-state supercapacitor demonstrates the practical viability of both the design approach and employed materials in a commercial context.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125639"},"PeriodicalIF":3.5,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145005264","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":"Mixed modifier effect in Na2O–BaO–B2O3 glasses: Structure-forming role of alkali-alkaline earth combinations","authors":"Nikita Barabanov ,&nbsp;Natalya Tyurnina ,&nbsp;Zoya Tyurnina ,&nbsp;Alexey Povolotskiy","doi":"10.1016/j.jssc.2025.125625","DOIUrl":"10.1016/j.jssc.2025.125625","url":null,"abstract":"<div><div>This study investigates the mixed modifier effect on structure in Na₂O–BaO–B₂O₃ glasses, driven by variations in the modifier ratio (Na₂O/BaO) across different glass-forming regions (B₂O₃ concentrations). Vibrational spectroscopy methods (IR and Raman) were used to analyze the short-range order (expressed as the fraction of tetrahedral boron, N₄) and the intermediate-range order (represented by superstructural units) structure.</div><div>The results reveal a near-linear decrease in N₄ and a higher concentration of asymmetric (metaborate) triangles in more alkaline glasses which is particularly pronounced in the most modified series (33.3 mol.% modifiers). In glasses with low modifier content (≤20 mol.%), the fraction of superstructural units with one tetrahedron (T₁) exhibits nonlinear behavior, whereas in the high-modified series (33.3 mol.%), this dependence follows a linear trend, showing a steady increase in T₁ units’ fraction with increasing Na₂O content.</div><div>Structural analysis of Na₂O–BaO–B₂O₃ glasses revealed that the structural effects observed during BaO/Na₂O substitution in three glass series are primarily governed by two key factors: the preferential formation of mixed boron-oxygen network anions (stoichiometric analogues of multicomponent crystalline compounds) and the phase diversity of crystalline compounds in the binary Na₂O–B₂O₃ and BaO–B₂O₃ systems. These findings challenge the conventional approach of considering multicomponent borate glass structures as simple combinations of binary subnetworks.</div><div>The structural calculations were supported by density and molar refractivity modelling for both low- and high-modified glass series. The calculated density values agreed well with experimental data, showing deviations comparable to those obtained in high-accuracy thermodynamic calculations.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125625"},"PeriodicalIF":3.5,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106691","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":"Crystal phase control of red-emitting Li4MgWO6:Mn4+ phosphors using LiF for high luminescence efficiency","authors":"Tomoya Onoe ,&nbsp;Yusuke Tonogai ,&nbsp;Hayato Hasui ,&nbsp;Taiki Maekawa ,&nbsp;Akihiro Nakanishi ,&nbsp;Tomoyuki Ueki ,&nbsp;Kei-ichiro Murai ,&nbsp;Toshihiro Moriga","doi":"10.1016/j.jssc.2025.125622","DOIUrl":"10.1016/j.jssc.2025.125622","url":null,"abstract":"<div><div>Phosphor-converted white light-emitting diodes (pc-WLEDs) are widely used owing to their high efficiency, long life, high reliability, low cost, and environmental friendliness. However, their color rendering remains limited because of the lack of red emissions. In this study, we synthesized a rare-earth-free, Mn⁴⁺-activated Li₄MgWO₆ red-emitting phosphor through a solid-state reaction method at only 850 °C in 1 h, by partially substituting Li₂CO₃ with LiF as a Li source to enhance the phase purity and crystallinity. X-ray diffraction and luminescence measurements revealed that the monoclinic Li₄MgWO₆:Mn⁴⁺ phosphor synthesized without LiF had a low crystallinity and weak luminescence, whereas the addition of LiF promoted the formation of a highly crystalline orthorhombic phase with strong red emission. The optimized phosphor Li₄MgW_0.998O₆:0.002Mn⁴⁺ with the orthorhombic structure exhibited a broad excitation band in the UV–blue region and strong red emission centered at 665 nm under 319 nm excitation, corresponding to the ²E_g→⁴A_2g transition of Mn⁴⁺, with an internal quantum efficiency of 64.5 %. This LiF-assisted synthesis strategy for Li₄MgW_0.998O₆ can be extended to other Li-based rock-salt-type materials, improving the luminescence performance of red phosphors for pc-WLEDs.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125622"},"PeriodicalIF":3.5,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145010797","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":"Conventional and inverse mechanocaloric effects in single-crystal and ceramic (NH4)3H(SO4)2","authors":"Vitaliy S. Bondarev ,&nbsp;Ekaterina A. Mikhaleva ,&nbsp;Mikhail V. Gorev ,&nbsp;Evgeniy V. Bogdanov ,&nbsp;Andrey V. Kartashev ,&nbsp;Maxim S. Molokeev ,&nbsp;Alexander I. Zaitsev ,&nbsp;Alexander V. Cherepakhin ,&nbsp;Igor N. Flerov","doi":"10.1016/j.jssc.2025.125610","DOIUrl":"10.1016/j.jssc.2025.125610","url":null,"abstract":"<div><div>Detailed studies of heat capacity, thermal expansion, sensitivity to hydrostatic pressure, as well as mechanocaloric effects were carried out for single-crystal and ceramic (NH₄)₃H(SO₄)₂ undergoing a number of structural transformations at atmospheric pressure: <em>R</em>-3<em>m</em> ↔ (<em>C</em>2/<em>c</em>) ↔ (<em>P</em>2/<em>n</em>)₁ ↔ (<em>P</em>2/<em>n</em>)₂ ↔ <em>P</em>-1. A significant smearing of the anomalous contribution to the deformation of the ceramic sample was observed, especially near first order transformations, while the behavior and values of the anomalous entropy are in satisfactory agreement for both samples. For the first time, the region of the <em>T</em> – <em>p</em> phase diagram, including low temperature phase transitions, was experimentally investigated. A good correspondence was found between the measured and calculated volumetric baric coefficients. A comparative analysis of the baro(BCE)- and piezo(PCE)-caloric effects was carried out using entropy–temperature phase diagrams at various hydrostatic/uniaxial pressures. Inverse BCE is characteristic of all studied phase transitions, which is caused by a decrease in their temperatures under hydrostatic pressure. Due to rather low symmetry of the crystalline phases, (NH₄)₃H(SO₄)₂ demonstrates a strong anisotropy in the thermal expansion which leads in turn to the difference in the values and sign of the linear baric coefficients and, as a result, to conventional and inverse PCE associated with the various crystallographic axes. The caloric parameters of single-crystal and ceramic (NH₄)₃H(SO₄)₂ are analyzed in comparison with some other derivatives of ammonium sulphate.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125610"},"PeriodicalIF":3.5,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019298","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":"Photoluminescent europium metal-organic framework (Eu-MOF) based on nicotinic acid n-oxide ligand for selective sensing of aniline","authors":"Li-Juan Chen ,&nbsp;Ming-Xing Yang ,&nbsp;Tao Zhang ,&nbsp;Xiao-Feng Zhang ,&nbsp;Zhong-Shui Li","doi":"10.1016/j.jssc.2025.125612","DOIUrl":"10.1016/j.jssc.2025.125612","url":null,"abstract":"<div><div>A novel europium-based metal-organic framework (<strong>compound 1</strong>) has been successfully synthesized by assembling EuCl₃·6H₂O and nicotinic acid N-oxide (HNAO) under solvothermal conditions. <strong>Compound 1</strong> features a distorted Eu₂(NAO)₄ paddlewheel unit within a two-dimensional layered structure with <em>sql</em> topology. As a highly efficient fluorescent sensor for detecting aniline, <strong>compound 1</strong> exhibits excellent selectivity among common organic solvents, achieving a low limit of detection (LOD) of 0.043 μM. Additionally, <strong>compound 1</strong> demonstrates outstanding cyclic stability, maintaining high quenching efficiency even after five cycles. The sensor also shows strong resistance to interference from various common organic solvents, highlighting its potential applicability for real-world analysis. This study provides a promising MOF-based fluorescent sensor for aniline detection.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"353 ","pages":"Article 125612"},"PeriodicalIF":3.5,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145010799","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}