Pub Date : 2025-12-01Epub Date: 2025-10-26DOI: 10.1016/j.solidstatesciences.2025.108112
Tuo Ping , Dashuang Wang , Can Wang , Xiaobin Gong , Zhilan Du , Xinfang Zhang , Yuxin Zhang
Scalable synthesis of hierarchical architectures with targeted interface engineering enables dual-functional materials for efficient microwave absorption and oxygen evolution reaction (OER). A bio-template-directed sulfurization strategy constructs NixSy@diatomite core-shell hybrids. Sulfur-modulated interfaces enhance both electromagnetic dissipation and electrocatalytic kinetics. The porous diatomite/Ni-S gradient structure achieves ideal impedance matching and multi-phase polarization, yielding outstanding microwave absorption: 93.5 dB minimum reflection loss at 15.86 GHz and an ultra-wide 6.66 GHz bandwidth (covering C/Ku bands). Moreover, it exhibits superior OER performance with a low overpotential (258 mV@10 mA cm−2) and Tafel slope of 82.62 mV dec−1 in alkaline solution, outperforming the commercial RuO2. High electrochemical surface area further supports enhanced kinetics. Crucially, bio-inspired design ensures thermodynamic stability (<1 % mass loss, 20–400 °C) and durability for high performance of microwave adsorption, also bionic architecture improves the active sites density of the electrode to enhance water splitting. This work bridges scalable synthesis, interfacial optimization, and dual functionality for next-generation electromagnetic protection and energy conversion systems.
分层结构的可扩展合成与目标界面工程使双功能材料高效微波吸收和析氧反应（OER）。生物模板定向硫化策略构建NixSy@diatomite核壳杂化物。硫调制界面增强了电磁耗散和电催化动力学。多孔硅藻土/Ni-S梯度结构实现了理想的阻抗匹配和多相极化，具有出色的微波吸收性能：15.86 GHz时反射损耗最小93.5 dB，超宽带宽为6.66 GHz（覆盖C/Ku波段）。此外，在碱性溶液中，它具有较低的过电位（258 mV@10 mA cm−2）和82.62 mV dec−1的Tafel斜率，表现出优异的OER性能，优于商用RuO2。高电化学表面积进一步支持增强动力学。至关重要的是，仿生设计确保了热力学稳定性（<； 1%的质量损失，20-400°C）和高性能微波吸附的耐久性，仿生结构还提高了电极的活性位点密度，以增强水的分解。这项工作为下一代电磁保护和能量转换系统提供了可扩展的综合、界面优化和双重功能。
{"title":"Scalable NixSy@diatomite core-shell architectures with thermodynamic stability for bifunctional microwave absorption and oxygen evolution catalysis","authors":"Tuo Ping , Dashuang Wang , Can Wang , Xiaobin Gong , Zhilan Du , Xinfang Zhang , Yuxin Zhang","doi":"10.1016/j.solidstatesciences.2025.108112","DOIUrl":"10.1016/j.solidstatesciences.2025.108112","url":null,"abstract":"<div><div>Scalable synthesis of hierarchical architectures with targeted interface engineering enables dual-functional materials for efficient microwave absorption and oxygen evolution reaction (OER). A bio-template-directed sulfurization strategy constructs Ni<sub>x</sub>S<sub>y</sub>@diatomite core-shell hybrids. Sulfur-modulated interfaces enhance both electromagnetic dissipation and electrocatalytic kinetics. The porous diatomite/Ni-S gradient structure achieves ideal impedance matching and multi-phase polarization, yielding outstanding microwave absorption: 93.5 dB minimum reflection loss at 15.86 GHz and an ultra-wide 6.66 GHz bandwidth (covering C/Ku bands). Moreover, it exhibits superior OER performance with a low overpotential (258 mV@10 mA cm<sup>−2</sup>) and Tafel slope of 82.62 mV dec<sup>−1</sup> in alkaline solution, outperforming the commercial RuO<sub>2</sub>. High electrochemical surface area further supports enhanced kinetics. Crucially, bio-inspired design ensures thermodynamic stability (<1 % mass loss, 20–400 °C) and durability for high performance of microwave adsorption, also bionic architecture improves the active sites density of the electrode to enhance water splitting. This work bridges scalable synthesis, interfacial optimization, and dual functionality for next-generation electromagnetic protection and energy conversion systems.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108112"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145414962","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}
Pub Date : 2025-12-01Epub Date: 2025-10-16DOI: 10.1016/j.solidstatesciences.2025.108100
Ramzy Daou , David Sedmidubský , Kyohoon Ahn , Sylvie Hébert , Raul E. Carbonio , Christine Martin , Antoine Maignan
Ferrimagnetic double perovskites provide a rare family of oxides where topological states might be responsible for effects at room temperature. In that respect, the effect of spin orbit coupling on the Sr2FeReO6 electronic structure has been calculated. This allows to predict an induced orbital moment (+0.32 μB) on Re oriented in the opposite direction with respect to the spin component and substantial anomalous Hall and Nernst conductivities. Experimentally, the negative magnetoresistance and positive magnetothermopower of a Sr2FeReO6 polycrystalline sample measured for temperatures below TC = 405 K demonstrate that a positive thermoelectric power factor enhancement of +20 % in 9 T is achieved in the ferrimagnetic state at 336 K. However, at that temperature, we estimate that the magnitude of the anomalous Hall conductivity does not exceed 0.1 Ω−1 cm−1, which is much smaller than the calculated value of 33 Ω−1 cm−1. The calculations likewise predict an anomalous Nernst conductivity contribution much larger than the observed experimental one, being below the resolution of our measurement. Several hypotheses are proposed to explain the discrepancies between prediction and experiments.
{"title":"Band structure, magneto-Seebeck and magnetoresistance at the para-to ferri-magnetic transition in the Sr2FeReO6 double perovskite","authors":"Ramzy Daou , David Sedmidubský , Kyohoon Ahn , Sylvie Hébert , Raul E. Carbonio , Christine Martin , Antoine Maignan","doi":"10.1016/j.solidstatesciences.2025.108100","DOIUrl":"10.1016/j.solidstatesciences.2025.108100","url":null,"abstract":"<div><div>Ferrimagnetic double perovskites provide a rare family of oxides where topological states might be responsible for effects at room temperature. In that respect, the effect of spin orbit coupling on the Sr<sub>2</sub>FeReO<sub>6</sub> electronic structure has been calculated. This allows to predict an induced orbital moment (+0.32 μ<sub>B</sub>) on Re oriented in the opposite direction with respect to the spin component and substantial anomalous Hall and Nernst conductivities. Experimentally, the negative magnetoresistance and positive magnetothermopower of a Sr<sub>2</sub>FeReO<sub>6</sub> polycrystalline sample measured for temperatures below T<sub>C</sub> = 405 K demonstrate that a positive thermoelectric power factor enhancement of +20 % in 9 T is achieved in the ferrimagnetic state at 336 K. However, at that temperature, we estimate that the magnitude of the anomalous Hall conductivity does not exceed 0.1 Ω<sup>−1</sup> cm<sup>−1</sup>, which is much smaller than the calculated value of 33 Ω<sup>−1</sup> cm<sup>−1</sup>. The calculations likewise predict an anomalous Nernst conductivity contribution much larger than the observed experimental one, being below the resolution of our measurement. Several hypotheses are proposed to explain the discrepancies between prediction and experiments.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108100"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145340340","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}
Pub Date : 2025-12-01Epub Date: 2025-10-28DOI: 10.1016/j.solidstatesciences.2025.108117
Gianluca Tesi , Chiara Coppi , Lorenzo Fornari , Francesco Mezzadri , Giovanna Trevisi , Elena Del Canale , Edmondo Gilioli , Davide Delmonte
Silica, valued for its unique properties and abundance, is widely studied and applied in various fields. Quartz, the most stable polymorph at ambient conditions, can be obtained from amorphous silica through calcination. However, achieving this transformation without mineralizers such as alkaline salts is extremely challenging, since metastable phases like cristobalite often form even at temperatures where quartz is the thermodynamically stable phase. In this work, an optimized calcination strategy is proposed to selectively obtain polycrystalline α-quartz from amorphous silica pellets by varying process parameters such as target temperature, dwell time, and cooling rates. Quantitative analyses by X-ray powder diffraction and scanning electron microscopy reveal that the initial density of the precursors significantly influences both the thermodynamics and kinetics of the structural phase transformation. A phenomenological explanation of these findings is proposed, considering initial density and morphology of amorphous silica as key driving factors in the process. Additional experiments performed under high-pressure/high-temperature conditions underline the complementary roles of thermodynamics and kinetics in the formation of the target phase.
{"title":"Thermodynamic, kinetic, and density-driven pathways in the selective transformation of amorphous silica to α-quartz","authors":"Gianluca Tesi , Chiara Coppi , Lorenzo Fornari , Francesco Mezzadri , Giovanna Trevisi , Elena Del Canale , Edmondo Gilioli , Davide Delmonte","doi":"10.1016/j.solidstatesciences.2025.108117","DOIUrl":"10.1016/j.solidstatesciences.2025.108117","url":null,"abstract":"<div><div>Silica, valued for its unique properties and abundance, is widely studied and applied in various fields. Quartz, the most stable polymorph at ambient conditions, can be obtained from amorphous silica through calcination. However, achieving this transformation without mineralizers such as alkaline salts is extremely challenging, since metastable phases like cristobalite often form even at temperatures where quartz is the thermodynamically stable phase. In this work, an optimized calcination strategy is proposed to selectively obtain polycrystalline α-quartz from amorphous silica pellets by varying process parameters such as target temperature, dwell time, and cooling rates. Quantitative analyses by X-ray powder diffraction and scanning electron microscopy reveal that the initial density of the precursors significantly influences both the thermodynamics and kinetics of the structural phase transformation. A phenomenological explanation of these findings is proposed, considering initial density and morphology of amorphous silica as key driving factors in the process. Additional experiments performed under high-pressure/high-temperature conditions underline the complementary roles of thermodynamics and kinetics in the formation of the target phase.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108117"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145463973","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}
Pub Date : 2025-12-01Epub Date: 2025-10-21DOI: 10.1016/j.solidstatesciences.2025.108105
Maria Goncalves, Mark D. Smith, Hans-Conrad zur Loye
A series of calcium rare earth silicate chlorides, CaLnSiO4Cl (Ln = Pr, Nd, Sm, Eu, Gd, and Tb), was obtained as single crystals from flux crystal growth. The structures were determined by single crystal X-ray diffraction and were found to be related to the spodiosite/Wagnerite mineral structure, Ca2PO4F. The obtained compositions are variations of the spodiosite structure that result from two simultaneous elemental substitutions. Replacing one calcium for one rare earth element and the simultaneous replacement of one VO43− or PO43− with one SiO44−. CaEuSiO4Cl was found to luminesce, and its photoluminescence spectrum is reported.
{"title":"Flux crystal growth of a series of calcium rare earth silicate chlorides CaLnSiO4Cl (Ln = Pr, Nd, Sm, Eu, Gd, and Tb): Mixed anion materials with a spodiosite-type structure","authors":"Maria Goncalves, Mark D. Smith, Hans-Conrad zur Loye","doi":"10.1016/j.solidstatesciences.2025.108105","DOIUrl":"10.1016/j.solidstatesciences.2025.108105","url":null,"abstract":"<div><div>A series of calcium rare earth silicate chlorides, CaLnSiO<sub>4</sub>Cl (Ln = Pr, Nd, Sm, Eu, Gd, and Tb), was obtained as single crystals from flux crystal growth. The structures were determined by single crystal X-ray diffraction and were found to be related to the spodiosite/Wagnerite mineral structure, Ca<sub>2</sub>PO<sub>4</sub>F. The obtained compositions are variations of the spodiosite structure that result from two simultaneous elemental substitutions. Replacing one calcium for one rare earth element and the simultaneous replacement of one VO<sub>4</sub><sup>3−</sup> or PO<sub>4</sub><sup>3−</sup> with one SiO<sub>4</sub><sup>4−</sup>. CaEuSiO<sub>4</sub>Cl was found to luminesce, and its photoluminescence spectrum is reported.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108105"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145360970","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}
Pub Date : 2025-12-01Epub Date: 2025-11-17DOI: 10.1016/j.solidstatesciences.2025.108135
Siwar El Ghali , Inmaculada Álvarez-Serrano , Maria Luisa López , Abdessalem Badri , Faouzi Aloui
This work reports the cost-effective synthesis of dual-phase cobalt molybdate (α/β-CoMoO4) nanorods and highlights the unique electrochemical advantages arising from the coexistence of the two polymorphs. Using a facile coprecipitation method followed by calcination and mechanical grinding, nanorods with controlled α/β phase ratios were obtained. Structural (XRD, FTIR) and morphological (SEM/TEM) analyses confirmed the successful engineering of a dual-phase architecture, while magnetic measurements evidenced antiferromagnetic ordering below 11.4 K. When evaluated as anodes for lithium-ion batteries, α/β-CoMoO4 nanorods displayed stable lithiation/delithiation processes, high specific capacity (up to 1246 mAh g−1), and remarkable rate performance, retaining substantial capacity even at 10 Ag−1. The improved reversibility and cycling performance (up to 289 cycles) are attributed to the complementary lithium storage mechanisms of the α (intercalation + conversion) and β (conversion) phases, which synergistically enhance kinetics and structural resilience. These findings underline the crucial role of phase engineering in tailoring the electrochemical behavior of CoMoO4, opening new opportunities for low-cost, high-performance anode materials in next-generation energy storage systems.
本工作报道了双相钼酸钴（α/β-CoMoO4）纳米棒的经济高效合成，并强调了两种多晶相共存所产生的独特电化学优势。采用易共沉淀法-煅烧-机械研磨法制备了α/β相比可控的纳米棒。结构（XRD， FTIR）和形态（SEM/TEM）分析证实了双相结构的成功工程，而磁性测量证明了11.4 K以下的反铁磁有序。作为锂离子电池的阳极，α/β-CoMoO4纳米棒表现出稳定的锂化/去锂化过程、高比容量（高达1246 mAh g−1）和显著的倍率性能，即使在10 Ag−1下也能保持可观的容量。提高的可逆性和循环性能（高达289次循环）归因于α（插层+转化）和β（转化）相的互补锂储存机制，它们协同增强了动力学和结构弹性。这些发现强调了相位工程在调整CoMoO4电化学行为方面的关键作用，为下一代储能系统中低成本、高性能的阳极材料开辟了新的机会。
{"title":"Facile synthesis of α/β-CoMoO4 nanorods: Phase-dependent electrochemical performance and high-rate stability","authors":"Siwar El Ghali , Inmaculada Álvarez-Serrano , Maria Luisa López , Abdessalem Badri , Faouzi Aloui","doi":"10.1016/j.solidstatesciences.2025.108135","DOIUrl":"10.1016/j.solidstatesciences.2025.108135","url":null,"abstract":"<div><div>This work reports the cost-effective synthesis of dual-phase cobalt molybdate (α/β-CoMoO<sub>4</sub>) nanorods and highlights the unique electrochemical advantages arising from the coexistence of the two polymorphs. Using a facile coprecipitation method followed by calcination and mechanical grinding, nanorods with controlled α/β phase ratios were obtained. Structural (XRD, FTIR) and morphological (SEM/TEM) analyses confirmed the successful engineering of a dual-phase architecture, while magnetic measurements evidenced antiferromagnetic ordering below 11.4 K. When evaluated as anodes for lithium-ion batteries, α/β-CoMoO<sub>4</sub> nanorods displayed stable lithiation/delithiation processes, high specific capacity (up to 1246 mAh g<sup>−1</sup>), and remarkable rate performance, retaining substantial capacity even at 10 Ag<sup>−1</sup>. The improved reversibility and cycling performance (up to 289 cycles) are attributed to the complementary lithium storage mechanisms of the α (intercalation + conversion) and β (conversion) phases, which synergistically enhance kinetics and structural resilience. These findings underline the crucial role of phase engineering in tailoring the electrochemical behavior of CoMoO<sub>4</sub>, opening new opportunities for low-cost, high-performance anode materials in next-generation energy storage systems.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108135"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145569111","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}
Pub Date : 2025-12-01Epub Date: 2025-11-13DOI: 10.1016/j.solidstatesciences.2025.108136
Mehdi Akermi , Mohamed Ben Bechir
We establish a coherent structure–property framework for the hybrid halide [N(CH3)3H]2CdCl4 by integrating crystallography, thermal analysis, broadband optics, photodynamics, and dielectric spectroscopy. Powder X-ray diffraction confirms an orthorhombic, non-centrosymmetric phase (Pna21) supported by STEM–EDS and vibrational fingerprints of [CdCl4]2− units and trimethylammonium cations. Thermogravimetry shows no mass loss up to ∼533 K, underscoring robust stability well above the phase-transition window. Differential scanning calorimetry resolves two reversible transitions at 253/263 K and 290/300 K with ∼10 K hysteresis and order–disorder entropies. Diffuse-reflectance UV–Vis treated via the Kubelka–Munk transform (α/S vs hν) reveals a direct band gap Eg (298 K) = 4.18 eV, narrowing to ∼4.10 eV at 350 K, accompanied by a modest red shift and an emergent Urbach tail indicative of strengthened exciton–phonon coupling. Consistently, steady-state PL (peak ∼472 nm) red-shifts, broadens (FWHM ∼105 → ∼125 nm), and quenches by ∼22 % on heating, while TRPL lifetimes contract (⟨τ⟩ ≈ 22 → ∼9 ns), signaling thermally activated non-radiative channels. Temperature-dependent permittivity exhibits step-like switching with ∼10 K hysteresis and minimal dispersion across 20–106 Hz, mirroring the calorimetric transitions and consolidating an opto-lattice coupling scenario in which lattice reorganizations regulate both band-edge and emissive dynamics. These cross-validated correlations position [N(CH3)3H]2CdCl4 as a promising platform for stimuli-responsive dielectrics and UV–Vis–NIR photonic functions.
{"title":"Opto-lattice coupling and thermally switchable dielectric transition in [N(CH3)3H]2CdCl4","authors":"Mehdi Akermi , Mohamed Ben Bechir","doi":"10.1016/j.solidstatesciences.2025.108136","DOIUrl":"10.1016/j.solidstatesciences.2025.108136","url":null,"abstract":"<div><div>We establish a coherent structure–property framework for the hybrid halide [N(CH<sub>3</sub>)<sub>3</sub>H]<sub>2</sub>CdCl<sub>4</sub> by integrating crystallography, thermal analysis, broadband optics, photodynamics, and dielectric spectroscopy. Powder X-ray diffraction confirms an orthorhombic, non-centrosymmetric phase (<em>Pna</em>2<sub>1</sub>) supported by STEM–EDS and vibrational fingerprints of [CdCl<sub>4</sub>]<sup>2−</sup> units and trimethylammonium cations. Thermogravimetry shows no mass loss up to ∼533 K, underscoring robust stability well above the phase-transition window. Differential scanning calorimetry resolves two reversible transitions at 253/263 K and 290/300 K with ∼10 K hysteresis and order–disorder entropies. Diffuse-reflectance UV–Vis treated via the Kubelka–Munk transform (α/S vs hν) reveals a direct band gap E<sub>g</sub> (298 K) = 4.18 eV, narrowing to ∼4.10 eV at 350 K, accompanied by a modest red shift and an emergent Urbach tail indicative of strengthened exciton–phonon coupling. Consistently, steady-state PL (peak ∼472 nm) red-shifts, broadens (FWHM ∼105 → ∼125 nm), and quenches by ∼22 % on heating, while TRPL lifetimes contract (⟨τ⟩ ≈ 22 → ∼9 ns), signaling thermally activated non-radiative channels. Temperature-dependent permittivity exhibits step-like switching with ∼10 K hysteresis and minimal dispersion across 20–10<sup>6</sup> Hz, mirroring the calorimetric transitions and consolidating an opto-lattice coupling scenario in which lattice reorganizations regulate both band-edge and emissive dynamics. These cross-validated correlations position [N(CH<sub>3</sub>)<sub>3</sub>H]<sub>2</sub>CdCl<sub>4</sub> as a promising platform for stimuli-responsive dielectrics and UV–Vis–NIR photonic functions.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108136"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517384","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}
Pub Date : 2025-12-01Epub Date: 2025-10-22DOI: 10.1016/j.solidstatesciences.2025.108107
Yile Fu , Baojie Wang , Ning Sun , Huan Fu , Li Guan , Jinghua Gu , Liang Guo , Sheying Dong
The severe environmental pollution and ecological risks caused by dyeing wastewater are currently issues that need to be urgently addressed. Herein, a novel environmental-friendly ternary hybrid aerogel (KGP), composed of konjac glucomannan (KGM), ghatti gum (GG), and polyethyleneimine (PEI), was designed and simply fabricated for the highly efficient and selective removal of methyl orange (MO) from water. The structure and composition of KGP-2 were characterized using SEM, FT-IR, XRD, and XPS. The effects of PEI content, pH, contact time, and temperature on MO sorption were systematically investigated. The experimental maximum adsorption capacity of KGP-2 was 135.39 mg/g, which was three times higher than that of KGM/GG aerogel (43.8 mg/g). With the integration of the adsorption kinetics, isotherms, and thermodynamic studies, along with the various spectroscopic characterizations before and after adsorption, the adsorption mechanisms of KGP-2 for MO were investigated in detail. Selective adsorption tests demonstrated the high selectivity of KGP-2 for MO, and after six cycles of adsorption-desorption, the MO removal rate remained above 80 %, highlighting the stability and reusability of KGP-2. Consequently, this newly developed composite aerogel is expected to serve as a highly promising sorbent for the adsorptive removal of MO from practical water systems.
{"title":"Novel 3D polyethyleneimine functionalized konjac glucomannan aerogel for selective removal of anionic dye from water","authors":"Yile Fu , Baojie Wang , Ning Sun , Huan Fu , Li Guan , Jinghua Gu , Liang Guo , Sheying Dong","doi":"10.1016/j.solidstatesciences.2025.108107","DOIUrl":"10.1016/j.solidstatesciences.2025.108107","url":null,"abstract":"<div><div>The severe environmental pollution and ecological risks caused by dyeing wastewater are currently issues that need to be urgently addressed. Herein, a novel environmental-friendly ternary hybrid aerogel (KGP), composed of konjac glucomannan (KGM), ghatti gum (GG), and polyethyleneimine (PEI), was designed and simply fabricated for the highly efficient and selective removal of methyl orange (MO) from water. The structure and composition of KGP-2 were characterized using SEM, FT-IR, XRD, and XPS. The effects of PEI content, pH, contact time, and temperature on MO sorption were systematically investigated. The experimental maximum adsorption capacity of KGP-2 was 135.39 mg/g, which was three times higher than that of KGM/GG aerogel (43.8 mg/g). With the integration of the adsorption kinetics, isotherms, and thermodynamic studies, along with the various spectroscopic characterizations before and after adsorption, the adsorption mechanisms of KGP-2 for MO were investigated in detail. Selective adsorption tests demonstrated the high selectivity of KGP-2 for MO, and after six cycles of adsorption-desorption, the MO removal rate remained above 80 %, highlighting the stability and reusability of KGP-2. Consequently, this newly developed composite aerogel is expected to serve as a highly promising sorbent for the adsorptive removal of MO from practical water systems.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108107"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145360971","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}
Pub Date : 2025-11-01Epub Date: 2025-09-25DOI: 10.1016/j.solidstatesciences.2025.108086
Yury I. Bauman , Andrey Y. Komarovskikh , Roman M. Kenzhin , Alexander M. Volodin , Alexander V. Pervikov , Alexey V. Pustovalov , Yury V. Shubin , Pavel E. Plyusnin , Tatyana A. Maksimova , Ekaterina V. Shelepova , Ilya V. Mishakov , Aleksey A. Vedyagin
Multicomponent alloys attract growing attention to be applied in various fields of science and technology. In the present study, Ni52Fe22Cr15Cu11 alloy was produced via a single-stage method of electric explosion of wire. It was shown that this method makes it possible to obtain a phase-pure powder (solid solution with a fcc structure, a = 3.583 Å) consisting of spherical nanoparticles with an average diameter of ∼70 nm. According to chemical analysis data, the formed alloy nanoparticles are close in composition to the target ratio of metals. Depending on the treatment procedures such as reduction in hydrogen, heating in argon, calcination in air, and catalytic chemical vapor deposition of C2-C4 hydrocarbons, the alloy undergoes different changes. The evolution of the phase composition and magnetic properties of the alloy was monitored using X-ray diffraction analysis and ferromagnetic resonance spectroscopy. As found, the alloy exhibits the phase stability while treating in argon only. Its treatment in hydrogen at temperatures of 500 °C and above facilitates the damage of the solid solution. During the catalytic chemical vapor deposition process performed at 650 °C for 30 min, the carbon yield reached the value of 42 g/gcat. According to transmission electron microscopy, the morphology of the deposited carbon is represented by a set of nanofibers with a mosaic structure. The resulting carbon nanofibers have a specific surface area of ∼330 m2/g and a pore volume of ∼0.8 cm3/g.
{"title":"In-depth insights into the evolution of NiFeCrCu multicomponent alloy in the course of the catalytic growth of carbon nanofibers","authors":"Yury I. Bauman , Andrey Y. Komarovskikh , Roman M. Kenzhin , Alexander M. Volodin , Alexander V. Pervikov , Alexey V. Pustovalov , Yury V. Shubin , Pavel E. Plyusnin , Tatyana A. Maksimova , Ekaterina V. Shelepova , Ilya V. Mishakov , Aleksey A. Vedyagin","doi":"10.1016/j.solidstatesciences.2025.108086","DOIUrl":"10.1016/j.solidstatesciences.2025.108086","url":null,"abstract":"<div><div>Multicomponent alloys attract growing attention to be applied in various fields of science and technology. In the present study, Ni<sub>52</sub>Fe<sub>22</sub>Cr<sub>15</sub>Cu<sub>11</sub> alloy was produced via a single-stage method of electric explosion of wire. It was shown that this method makes it possible to obtain a phase-pure powder (solid solution with a <em>fcc</em> structure, a = 3.583 Å) consisting of spherical nanoparticles with an average diameter of ∼70 nm. According to chemical analysis data, the formed alloy nanoparticles are close in composition to the target ratio of metals. Depending on the treatment procedures such as reduction in hydrogen, heating in argon, calcination in air, and catalytic chemical vapor deposition of C<sub>2</sub>-C<sub>4</sub> hydrocarbons, the alloy undergoes different changes. The evolution of the phase composition and magnetic properties of the alloy was monitored using X-ray diffraction analysis and ferromagnetic resonance spectroscopy. As found, the alloy exhibits the phase stability while treating in argon only. Its treatment in hydrogen at temperatures of 500 °C and above facilitates the damage of the solid solution. During the catalytic chemical vapor deposition process performed at 650 °C for 30 min, the carbon yield reached the value of 42 g/g<sub>cat</sub>. According to transmission electron microscopy, the morphology of the deposited carbon is represented by a set of nanofibers with a mosaic structure. The resulting carbon nanofibers have a specific surface area of ∼330 m<sup>2</sup>/g and a pore volume of ∼0.8 cm<sup>3</sup>/g.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"169 ","pages":"Article 108086"},"PeriodicalIF":3.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154984","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}
Pub Date : 2025-11-01Epub Date: 2025-10-05DOI: 10.1016/j.solidstatesciences.2025.108087
R.M. Arif Khalil , Razi Hammas , Muhammad Iqbal Hussain , Fayyaz Hussain , Mushahid Hussain Shah , Rabail Fatima
Currently, double perovskite oxides (DPO) with remarkable characteristics are the most suitable choices for optoelectronics devices. We report, for the first time, a comprehensive investigation of the structural, electronic, optical, magnetic, mechanical, vibrational, and thermodynamic properties of the double cubic perovskite oxides Ba2TaXO6 (X = Sc, Y, La), employing density functional theory (DFT) with the Perdew-Burke-Ernzerhof–generalized gradient approximation (PBE-GGA) within the CASTEP framework. The calculated lattice constants for Ba2TaXO6 (X = Sc, Y, La) are = 8.4281 Å, with lattice angles α = β = γ = 90°, confirming the cubic symmetry of these double perovskite oxides. The relatively high cohesive energy (−8.20 eV atom−1) and formation energy (−6.18 eV atom−1) of Ba2TaLaO6 indicate its enhanced structural stability. The calculated direct bandgaps of Ba2TaScO6 (3.11 eV), Ba2TaYO6 (3.17 eV) and Ba2TaLaO6 (3.22 eV) confirm their semiconducting nature. The valence band maximum derives primarily from the Ba–5p and O–2p orbitals, while the conduction band is dominated by the Sc–3d, Y–4d and La–5d states, thus enhancing the electronic conductivity. The minimum reflectance supports our belief that these perovskites can be highly beneficial for future optoelectronic applications. Ba2TaXO6 (X = Sc, Y, La) materials exhibit nonmagnetic behavior arising from spin-polarized density of states. Mechanical properties results endorse that the studied compounds are mechanically stable. Phonon dispersion analysis reveals dynamical stabilities in Ba2TaYO6. Our outcomes may open new avenues for researchers pursing advanced applications in optoelectronics
{"title":"The exploration of physical properties of barium based Ba2TaXO6 (X=Sc, Y, La) double perovskite oxides for optoelectronic applications. A DFT study","authors":"R.M. Arif Khalil , Razi Hammas , Muhammad Iqbal Hussain , Fayyaz Hussain , Mushahid Hussain Shah , Rabail Fatima","doi":"10.1016/j.solidstatesciences.2025.108087","DOIUrl":"10.1016/j.solidstatesciences.2025.108087","url":null,"abstract":"<div><div>Currently, double perovskite oxides (DPO) with remarkable characteristics are the most suitable choices for optoelectronics devices. We report, for the first time, a comprehensive investigation of the structural, electronic, optical, magnetic, mechanical, vibrational, and thermodynamic properties of the double cubic perovskite oxides Ba<sub>2</sub>TaXO<sub>6</sub> (X = Sc, Y, La), employing density functional theory (DFT) with the Perdew-Burke-Ernzerhof–generalized gradient approximation (PBE-GGA) within the CASTEP framework. The calculated lattice constants for Ba<sub>2</sub>TaXO<sub>6</sub> (X = Sc, Y, La) are <span><math><mrow><msub><mrow><mspace></mspace><mi>a</mi></mrow><mi>o</mi></msub></mrow></math></span> = 8.4281 Å, with lattice angles α = β = γ = 90°, confirming the cubic symmetry of these double perovskite oxides. The relatively high cohesive energy (−8.20 eV atom<sup>−1</sup>) and formation energy (−6.18 eV atom<sup>−1</sup>) of Ba<sub>2</sub>TaLaO<sub>6</sub> indicate its enhanced structural stability. The calculated direct bandgaps of Ba<sub>2</sub>TaScO<sub>6</sub> (3.11 eV), Ba<sub>2</sub>TaYO<sub>6</sub> (3.17 eV) and Ba<sub>2</sub>TaLaO<sub>6</sub> (3.22 eV) confirm their semiconducting nature. The valence band maximum derives primarily from the Ba–5<em>p</em> and O–2<em>p</em> orbitals, while the conduction band is dominated by the Sc–3<em>d</em>, Y–4<em>d</em> and La–5<em>d</em> states, thus enhancing the electronic conductivity. The minimum reflectance supports our belief that these perovskites can be highly beneficial for future optoelectronic applications. Ba<sub>2</sub>TaXO<sub>6</sub> (X = Sc, Y, La) materials exhibit nonmagnetic behavior arising from spin-polarized density of states. Mechanical properties results endorse that the studied compounds are mechanically stable. Phonon dispersion analysis reveals dynamical stabilities in Ba<sub>2</sub>TaYO<sub>6</sub>. Our outcomes may open new avenues for researchers pursing advanced applications in optoelectronics</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"169 ","pages":"Article 108087"},"PeriodicalIF":3.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262279","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}
Pub Date : 2025-11-01Epub Date: 2025-09-04DOI: 10.1016/j.solidstatesciences.2025.108056
Wenxu Ma, Zhiyong Liu, Yunqiong Yang
Metal-organic frameworks (MOFs) have been widely explored in photocatalytic peroxymonosulfate-based (PMS) advanced oxidation processes (AOPs) due to their highly tunable and porosity structures. In this work, three pore-partitioned MOF materials, namely [Fe3M2O(BDC)3(trz)3Cl2(H2O)4]·solvent (Fe3+M2, M = Mg, Fe, or Zn, BDC = terephthalic acid, trz = 1,2,4-triazole), were successfully synthesized by embedding binuclear units [M2(trz)3] (M = Mg, Fe, or Zn) into a MIL-88B structure (Fe3). It is demonstrated that binuclear units can introduce a large number of potential open metal sites, regulate framework stability, and optimize adsorption capacity, thereby enhancing the photocatalytic property of MOFs. Fe3+Mg2/PMS system showed a RhB removal efficiency of 97.5 % in 10 min under visible light irradiation, giving a degradation rate constant of 0.28 min−1. In addition, the photocatalytic mechanism was also systematically investigated. This study provides a new clue for developing highly efficient and stable MOF-based catalysts for AOPs.
{"title":"Pore-partitioned bimetallic metal-organic frameworks for efficient photocatalytic activation of peroxymonosulfate","authors":"Wenxu Ma, Zhiyong Liu, Yunqiong Yang","doi":"10.1016/j.solidstatesciences.2025.108056","DOIUrl":"10.1016/j.solidstatesciences.2025.108056","url":null,"abstract":"<div><div>Metal-organic frameworks (MOFs) have been widely explored in photocatalytic peroxymonosulfate-based (PMS) advanced oxidation processes (AOPs) due to their highly tunable and porosity structures. In this work, three pore-partitioned MOF materials, namely [Fe<sub>3</sub>M<sub>2</sub>O(BDC)<sub>3</sub>(trz)<sub>3</sub>Cl<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·solvent (Fe<sub>3</sub>+M<sub>2</sub>, M = Mg, Fe, or Zn, BDC = terephthalic acid, trz = 1,2,4-triazole), were successfully synthesized by embedding binuclear units [M<sub>2</sub>(trz)<sub>3</sub>] (M = Mg, Fe, or Zn) into a MIL-88B structure (Fe<sub>3</sub>). It is demonstrated that binuclear units can introduce a large number of potential open metal sites, regulate framework stability, and optimize adsorption capacity, thereby enhancing the photocatalytic property of MOFs. Fe<sub>3</sub>+Mg<sub>2</sub>/PMS system showed a RhB removal efficiency of 97.5 % in 10 min under visible light irradiation, giving a degradation rate constant of 0.28 min<sup>−1</sup>. In addition, the photocatalytic mechanism was also systematically investigated. This study provides a new clue for developing highly efficient and stable MOF-based catalysts for AOPs.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"169 ","pages":"Article 108056"},"PeriodicalIF":3.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009888","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}
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