Journal of Solid State Chemistry最新文献_第10页

Magnetic and transport properties of cubic Fe1-xZnxO solid solutions with a rock salt structure synthesized at high pressure

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-26 DOI: 10.1016/j.jssc.2024.125172

Petr S. Sokolov , Andrey N. Baranov , Evgeny P. Skipetrov , Vladimir L. Solozhenko

引用次数: 0

Selective deposition of Mo5O14/MoO3 composite onto MoO2 surfaces induced by MoO3/MoO2 interfacial reaction

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-26 DOI: 10.1016/j.jssc.2024.125166

Y.L. Leibas , M. Bakhtbidar , A. Kharade , S. Obernberger , A. Tejeda-Cruz , G. Santana , A. Hernandez-Garcia , L. Hamui , J.R. Aguilar-Hernández , G. Contreras-Puente , A. Ruediger , O. de Melo

{"title":"Selective deposition of Mo5O14/MoO3 composite onto MoO2 surfaces induced by MoO3/MoO2 interfacial reaction","authors":"Y.L. Leibas , M. Bakhtbidar , A. Kharade , S. Obernberger , A. Tejeda-Cruz , G. Santana , A. Hernandez-Garcia , L. Hamui , J.R. Aguilar-Hernández , G. Contreras-Puente , A. Ruediger , O. de Melo","doi":"10.1016/j.jssc.2024.125166","DOIUrl":"10.1016/j.jssc.2024.125166","url":null,"abstract":"<div><div>This study presents the deposition of a Mo5O14/MoO3 composite onto the surface of a pre-grown MoO2 film by exposing the MoO2 surface to MoO3 vapours under low vacuum. Significant surface selectivity was observed, with the formation of a Mo5O14/MoO3 composite occurring exclusively on the MoO2 surface. In contrast, pure MoO3 was deposited directly onto the uncovered part of the used SiO2/Si substrate. The formation of the composite was revealed by X-ray diffraction, Raman spectra, and Energy Dispersive Spectroscopy. The selective deposition of the composite is attributed to the solid-state reaction between MoO3 and MoO2 at their interface, which is facilitated by the porous structure of the MoO2 film (as confirmed by scanning electron microscopy). Thermodynamic considerations support this reaction mechanism and predict the temperature range in which the reaction can occur.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125166"},"PeriodicalIF":3.2,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143149994","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

Li2TeO4: Structural characterization and ionic conductivity measurements of a new tellurate

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-25 DOI: 10.1016/j.jssc.2024.125170

Cyrille Galven, Marie-Pierre Crosnier-Lopez, Françoise Le Berre

{"title":"Li2TeO4: Structural characterization and ionic conductivity measurements of a new tellurate","authors":"Cyrille Galven, Marie-Pierre Crosnier-Lopez, Françoise Le Berre","doi":"10.1016/j.jssc.2024.125170","DOIUrl":"10.1016/j.jssc.2024.125170","url":null,"abstract":"<div><div>A new tellurate Li2TeO4 (Li2TeO4-LT) was synthesized via a conventional solid-state route from specific precursors, LiOH.H2O and H6TeO6. The cell, initially identified as tetragonal from X-ray powder diffraction at room temperature, was finally found to be orthorhombic thanks to thermal X-ray powder diffraction. The space group, Pbcn, was determined with the help of electron diffraction while the structure was obtained from neutron powder diffraction (a = 5.0106(3), b = 11.5369(8) and c = 5.0057(4) Å. As the tellurate β-Na2TeO4, its structure is built from TeO6 octahedra sharing edges forming thus infinite chains [TeO4]n2n− parallel to the c axis. These chains are separated from each other by Li+ ions in octahedral coordination. Contrary to β-Na2TeO4, Li2TeO4-LT does not capture CO2 and presents a modest ionic conduction (300 °C, T = 1.8 10−8 S cm−1), lower than the tetragonal Li2TeO4 variety (300 °C, ≈10−6 S.cm-1). In addition, a complete solid solution Na2-xLixTeO4 was evidenced.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"344 ","pages":"Article 125170"},"PeriodicalIF":3.2,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Three uranyl silicate framework structures, Cs1.8K0.2[(UO2)(Si2O6)], K4Sr[(UO2)(Si4O12)], and [Cs2KF][(UO2)(Si4O10)], and theoretical calculation of density functional theory for salt-inclusion material

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-25 DOI: 10.1016/j.jssc.2024.125171

Xiaochen Zhang , Yu Wang , Tao Bo , Lei Zhang

{"title":"Three uranyl silicate framework structures, Cs1.8K0.2[(UO2)(Si2O6)], K4Sr[(UO2)(Si4O12)], and [Cs2KF][(UO2)(Si4O10)], and theoretical calculation of density functional theory for salt-inclusion material","authors":"Xiaochen Zhang , Yu Wang , Tao Bo , Lei Zhang","doi":"10.1016/j.jssc.2024.125171","DOIUrl":"10.1016/j.jssc.2024.125171","url":null,"abstract":"<div><div>Single crystals of three new uranyl silicates were grown from mixed alkali fluoride fluxes. Cs1.8K0.2[(UO2)(Si2O6)] crystallizes in the space group C2/c and lattice parameters a = 21.5486(11) Å, b = 15.1071(8) Å, c = 14.8947(14) Å, and β = 129.267(2), which is isostructural to the known α-Cs2[(UO2)(Si2O6)] phase. The new framework K4Sr[(UO2)(Si4O12)] is compared with the related K4SrU3O12, and crystallizes in the tetragonal space group P—4n2 with lattice parameters a = 9.3808(3) Å, b = 9.3808(3) Å, c = 8.5234(4) Å. A new salt-inclusion material (SIMs) [Cs2KF][(UO2)(Si4O10)] is compared and discussed with previously reported SIM [Cs3F][(UO2)(Si4O10)], which crystallizes in the space group I2/c and lattice parameters a = 7.5400(3) Å, b = 12.6143(7) Å, c = 14.9686(8) Å, and β = 93.032(3)°. The Raman spectra of these phases were collected, and bands were assigned according to the existing oxo-silicate and oxo-uranium units. The formation enthalpy, lattice energy and band gap of the salt-inclusion materials were calculated by density functional theory to provide more structural information.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125171"},"PeriodicalIF":3.2,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097790","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

Data driven design of dyes with high dielectric constant for efficient optoelectronics

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-24 DOI: 10.1016/j.jssc.2024.125169

Laraib Kiran , Muhammad Hammad Ijaz , Zaki I. Zaki , Mohamed E. Khalifa , Zunaira Shafiq , Zeeshan Zubair , Nimra Sultan , Muhammad Ramzan Saeed Ashraf Janjua

{"title":"Data driven design of dyes with high dielectric constant for efficient optoelectronics","authors":"Laraib Kiran , Muhammad Hammad Ijaz , Zaki I. Zaki , Mohamed E. Khalifa , Zunaira Shafiq , Zeeshan Zubair , Nimra Sultan , Muhammad Ramzan Saeed Ashraf Janjua","doi":"10.1016/j.jssc.2024.125169","DOIUrl":"10.1016/j.jssc.2024.125169","url":null,"abstract":"<div><div>The optimization of dyes with high dielectric constant is crucial to perform superior functions in communication electronics, solar cells, and battery technologies. Generally, the approaches to synthesizes compounds require significant time and effort, underlining the importance of computing tools that would help to save time. In this work, machine learning models are used to estimate dielectric constant. Random Forest is best model. yielding the least RMSE of 0.592 and highest R2 of 0.676. Descriptors such as SMR_VSA10 were found from the correlation analysis to be very important. Ten thousand new dye structures were designed and dielectric constants of these dyes were predicted by the Random Forest regressor. Chemical space is visualized through clustering. The results presented here highlight how machine learning methods can be applied in the context of dye chemistry to minimize the time spent conducting experiments and to improve dye synthesis rates.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125169"},"PeriodicalIF":3.2,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143149993","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

Preparation and performance study of high-performance ZnS:Cu, Al phosphor

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-20 DOI: 10.1016/j.jssc.2024.125165

Long Han, Yankun Chen, Wenhuai Tian

{"title":"Preparation and performance study of high-performance ZnS:Cu, Al phosphor","authors":"Long Han, Yankun Chen, Wenhuai Tian","doi":"10.1016/j.jssc.2024.125165","DOIUrl":"10.1016/j.jssc.2024.125165","url":null,"abstract":"<div><div>ZnS:Cu, Al phosphor (P22) has garnered significant attention owing to its unique green light emission properties. Enhancing the luminescence intensity of P22 phosphor can broaden its application in optoelectronic fields, including LEDs and low-light-level image intensifiers. In this study, we employed the solid-phase sintering method to synthesize high-performance P22 phosphors by optimizing the types and ratios of doping salts. Subsequently, we improved the luminescence performance of the phosphors through an acid washing process. We analyzed the effects of doping with halogenated elements on the luminescence and emission peak shape by examining the impact of various doping salt types on the luminescence performance. The spectral analysis revealed that, while doping with halogenated elements augmented the luminescence intensity of the phosphor, its emission peaks exhibited hump characteristics. Furthermore, different doping ratios of Cu–Al could effectively adjust the luminescence intensity without shifting the position of the emission peaks. Additionally, we observed that during sintering, the Zn element in the interstitial position failed to migrate to the grain boundary to combine with the S element in the lattice, leading to a transformation from the cubic phase to the hexagonal phase at a lower temperature. Further results from the acid washing process indicated that the luminescence performance could be substantially enhanced. However, the use of dilute nitric acid also reacted with Cu, resulting in a decrease in the concentration of luminescent centers. Utilizing sieving technology for ultrafine powders can further enhance the luminescence intensity.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125165"},"PeriodicalIF":3.2,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098258","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

Li2B4O7 phosphor for beta particle dosimetry: Synthesis, structural and thermoluminescence performance

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-19 DOI: 10.1016/j.jssc.2024.125163

Y.O. Villafañe-Bautista, Ch J. Salas-Juárez, J. Guzmán-Mendoza, I. Garduño-Wilches, T. Rivera-Montalvo

{"title":"Li2B4O7 phosphor for beta particle dosimetry: Synthesis, structural and thermoluminescence performance","authors":"Y.O. Villafañe-Bautista, Ch J. Salas-Juárez, J. Guzmán-Mendoza, I. Garduño-Wilches, T. Rivera-Montalvo","doi":"10.1016/j.jssc.2024.125163","DOIUrl":"10.1016/j.jssc.2024.125163","url":null,"abstract":"<div><div>We report the structural and thermoluminescent (TL) properties of Li₂B₄O₇ phosphor synthesized by a solid-state reaction method for radiation dosimetry. The Li₂B₄O₇ was characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) to determine the crystalline structure and morphology. The Li₂B₄O₇ samples were exposed to beta particle irradiation in a dose range from 1 to 1024 Gy. The TL glow curve showed three emission maxima at ∼ 123, 191 and 290 °C. The TL signal increased with increasing dose, with a linear dependence from 1 to 64 Gy. Remarkable reproducibility of the integrated TL response in 10 irradiation cycles was observed for the TL maximum at 191 °C, suggesting that Li₂B₄O₇ samples are reusable, especially for the dosimetric TL peak. The Tm-Tstop and computerized glow curve deconvolution (CGCD) showed that the TL glow curve of Li₂B₄O₇ consists of seven TL peaks, with five peaks showing a first-order trend (peaks 1, 2, 3, 5 and 6) and two peaks showing a second-order trend (peaks 4 and 7). The mass attenuation and energy absorption coefficients show that Li₂B₄O₇ exhibits similar behavior to human tissue when indirectly exposed to ionizing radiation. Li₂B₄O₇ exhibits a wide linearity range and a reliable response to high doses, positioning it as an optimal dosimeter for dosimetric applications where the dosimetric range of commercial dosimeters, such as the TLD-100, has limitations. This novelty is particularly important as Li₂B₄O₇ has an effective atomic number equivalent to that of human tissue. These results suggest that Li₂B₄O₇ phosphor is a promising candidate for clinical dosimetry applications such as radiotherapy and brachytherapy.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125163"},"PeriodicalIF":3.2,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143149431","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

Pressure effects of the thortveitite structure of cadmium pyrovanadate Cd2V2O7

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-18 DOI: 10.1016/j.jssc.2024.125162

M.N. Jahid , S. Reza , M. Maaza , M.S. Islam

{"title":"Pressure effects of the thortveitite structure of cadmium pyrovanadate Cd2V2O7","authors":"M.N. Jahid , S. Reza , M. Maaza , M.S. Islam","doi":"10.1016/j.jssc.2024.125162","DOIUrl":"10.1016/j.jssc.2024.125162","url":null,"abstract":"<div><div>We report a computational study of cadmium pyrovanadate Cd2V2O7 under ambient and high-pressure conditions using density functional theory. At ambient conditions, the studied pyrovanadate crystalizes in a monoclinic symmetry described by space group C2/m but a triclinic phase described by space group P <math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math> and a cubic phase described by space group Fd <math><mrow><mover><mn>3</mn><mo>‾</mo></mover></mrow></math> m become stable under high pressure. The optimized structures are consistent with the previous theoretical and experimental studies. We found that the high pressure phases are mechanically stable although the coordination polyhedra of both the Cd and V cations is largely modified. The ambient phase is more compressible than the high-pressure phases. The malleability is also confirmed in all the studied phases. The band gap energies of 2.46 eV, 2.62 eV and 1.50 eV are determined for the studied phases of β-, γ- and τ-Cd2V2O7, respectively. The optical band gap energies, calculated by the Wood-Tauc plot, estimated from the optical absorption spectra are almost similar to the energy gap obtained from their energy dispersion.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125162"},"PeriodicalIF":3.2,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098260","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

Bandgap engineering of covalent triazine frameworks for highly efficient and selective photoreduction of CO2 to CO

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-18 DOI: 10.1016/j.jssc.2024.125161

Yan Shi , Guangdong Qi , Fudong Liao , Min Gao , Engang Tao , Dong Wei , Jinyang Zheng , Yulin Huang , Chengyu Yang , Fang Gong , Jun Zhao

{"title":"Bandgap engineering of covalent triazine frameworks for highly efficient and selective photoreduction of CO2 to CO","authors":"Yan Shi , Guangdong Qi , Fudong Liao , Min Gao , Engang Tao , Dong Wei , Jinyang Zheng , Yulin Huang , Chengyu Yang , Fang Gong , Jun Zhao","doi":"10.1016/j.jssc.2024.125161","DOIUrl":"10.1016/j.jssc.2024.125161","url":null,"abstract":"<div><div>Covalent triazine frameworks (CTFs) have emerged as promising photocatalytic platforms for CO2 conversion, favored for their tunable bandgap and ease of processing. In this study, a series of CTFs were synthesized by altering polymer chain lengths through the incorporation of phenyl units at the metal positions of the triazine rings. This structural modification facilitated precise control over the band positions and bandgap energies of the CTFs. Experimental evaluations and theoretical predictions confirmed that these modifications efficiently catalyze CO2 reduction to CO under full-spectrum irradiation, using water vapor as an electron donor under ambient conditions without the need for sacrificial agents, organic solvents, co-catalyst or photosensitizers. Among the variants, the optimized CTF 2 demonstrated a CO evolution rate of 103.4 μmol g−1 within 4 h which is 7.3 and 2.8 times greater than comparable CTFs, while achieving an exceptional CO selectivity of 99.95 %. This research lays the groundwork for efficient CO2 photoreduction using organic semiconductor catalysts and highlighting the critical role of precise bandgap control through structural tuning.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125161"},"PeriodicalIF":3.2,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143149433","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

Facile synthesis of SnS2/ZnIn2S4 composite with enhanced visible light photocatalytic activity

IF 3.2 3区化学

Journal of Solid State Chemistry Pub Date : 2024-12-17 DOI: 10.1016/j.jssc.2024.125157

Man Wang , Ying Chen , Rongjiang Zou , Qiang Wu

{"title":"Facile synthesis of SnS2/ZnIn2S4 composite with enhanced visible light photocatalytic activity","authors":"Man Wang , Ying Chen , Rongjiang Zou , Qiang Wu","doi":"10.1016/j.jssc.2024.125157","DOIUrl":"10.1016/j.jssc.2024.125157","url":null,"abstract":"<div><div>To achieve highly efficient photocatalytic degradation of antibiotics remains a challenging task. ZnIn2S4 and ZnIn2S4-based materials have been proved to be low-cost and efficient photocatalysts for removal of antibiotics from wastewater. In this study, SnS2 fish scales anchored on ZIS microflower sphere (SnS2/ZIS) was fabricated by a facile one-pot hydrothermal route, and further applied to degradation of antibiotics under visible light irradiation. The experimental results demonstrate that the optimal SnS2 (7 wt%)/ZIS composite exhibited an enhanced TC degradation efficiency (87.3 % within 30 min) as compared to pure SnS2 (37.4 % within 30 min) and ZIS (75.7 % within 30 min). In addition, SnS2 (7 wt%)/ZIS exhibited good versatility, reproducibility and stability, confirming their potential value in practical applications. This research provides a typical example of facile design and construction of highly efficient ZnIn2S4-based photocatalysts for the removal of antibiotics from wastewater.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"343 ","pages":"Article 125157"},"PeriodicalIF":3.2,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098262","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