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Advanced ZnO-g-C3N4 nanocomposite: A highly sensitive electrochemical sensor for simultaneous determination of lead and mercury ions 先进的ZnO-g-C3N4纳米复合材料:用于铅和汞离子同时测定的高灵敏度电化学传感器
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-10-28 DOI: 10.1016/j.solidstatesciences.2025.108116
Vikas Jangra , Harpreet Kaur , Narvdeshwar Kumar , Anand Ratnam , Lal Bahadur Prasad , Piyush Kumar Sonkar
This study reports the development of a sensitive and reliable electrochemical sensor based on a zinc oxide nanoparticle-modified graphitic carbon nitride (ZnO@g-C3N4) nanocomposite for the individual and simultaneous determination of Pb2+ and Hg2+ ions. Three different weight ratio of nanocomposites were prepared and characterized by spectroscopic techniques like UV–Vis spectroscopy, Fourier-transform infrared (FT-IR) spectroscopy, X-Ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and microscopic techniques such as scanning electron microscope (SEM), transmission electron microscopy (TEM) and Atomic Force Microscopy (AFM). Thermogravimetric analysis (TGA) was also performed to assess the thermal stability and decomposition behaviour of the prepared samples. The ZnO@g-C3N4 nanocomposite modified GCE was successfully fabricated on electrode surface to determine Pb2+ and Hg2+ simultaneously using differential pulse voltammetry (DPV). Under optimized conditions, the anodic current exhibited a linear relationship with metal ion concentration, covering 0.1–100 μM for Pb2+ with a detection limit of 5.17 nM (S/N = 3), and 0.1–10 μM for Hg2+ with a detection limit of 7.9 nM (S/N = 3). Finally, the effective application of this novel electrode material allowed for the simultaneous determination of Pb2+ and Hg2+ in real water samples, cosmetics, and fish tissues, yielding satisfactory recovery results.
本研究报道了一种基于氧化锌纳米颗粒修饰的石墨氮化碳纳米复合材料(ZnO@g-C3N4)的灵敏可靠的电化学传感器的开发,用于单独和同时测定Pb2+和Hg2+离子。采用紫外可见光谱、傅里叶红外光谱、x射线衍射(XRD)、x射线光电子能谱(XPS)以及扫描电镜(SEM)、透射电镜(TEM)和原子力显微镜(AFM)等显微技术对三种不同重量比的纳米复合材料进行了表征。热重分析(TGA)也被用来评估制备样品的热稳定性和分解行为。利用差分脉冲伏安法(DPV)成功制备了ZnO@g-C3N4纳米复合材料修饰的GCE,用于同时测定Pb2+和Hg2+。在优化条件下,阳极电流与金属离子浓度呈线性关系,Pb2+覆盖0.1 ~ 100 μM,检出限为5.17 nM (S/N = 3), Hg2+覆盖0.1 ~ 10 μM,检出限为7.9 nM (S/N = 3)。最后,这种新型电极材料的有效应用允许在实际水样,化妆品和鱼组织中同时测定Pb2+和Hg2+,并产生令人满意的回收率结果。
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引用次数: 0
High-performance PVA based nanocomposite films reinforced with Si3N4-WC nanoparticles for radiation attenuation and flexible electronics capacitive pressure sensor Si3N4-WC纳米颗粒增强的高性能PVA基纳米复合膜用于辐射衰减和柔性电子电容压力传感器
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-10-27 DOI: 10.1016/j.solidstatesciences.2025.108114
Shaimaa Mazhar Mahdi , Majeed Ali Habeeb , Jassim M. AL-Issawe
<div><div>Polyvinyl alcohol (PVA) can be improved in terms of optical and electrical properties by incorporating Si<sub>3</sub>N<sub>4</sub> (silicon nitride) and WC (tungsten carbide) nanoparticles. The incorporation of Si<sub>3</sub>N<sub>4</sub> and WC can further improve these properties, rendering the resulting material appropriate for a variety of applications, including optoelectronics and electronics. The casting technique is the method of producing nanocomposite. We were able to observe that the Si<sub>3</sub>N<sub>4</sub>-WC nanoparticles form an interconnected network within the purified PVA polymer using optical microscopy. Shifts in peak positions, the presence of physical interaction, and differences in size and shape are revealed by Fourier transform infrared spectroscopy (FTIR). Based on the electrical properties of alternating current, the dielectric loss value (<em>ε</em>″) and dielectric constant (<em>ε</em>′) of nanocomposites decrease as the frequency (f) increases. In spite of this, these values increase as the concentration of nanomaterials increases. Upon reaching a concentration of 5.1 wt percent of Si<sub>3</sub>N<sub>4</sub>-WC at 100 Hz, the electrical conductivity σa.c and the <em>ε</em> ′ of PVA increased from 20 to 42 and 3 × 10<sup>−10</sup> to 9 × 10<sup>−10</sup> S/cm, respectively. The observed data indicates that the absorption of PVA saturated with Si3N4-WC NPs is markedly increased at a wavelength of 562 nm. Further, the energy gap of the permitted indirect transitions was reduced by an average of 50 % (from 4.2 to 2.6 eV), whereas the forbidden indirect transitions were reduced by approximately 120 % (from 3.89 to 1.6 eV). Pure PVA polymer exhibited an upward trend in optical properties as the quantity of Si<sub>3</sub>N<sub>4</sub>-WC NPs increased. Due to the improved electrical and structural properties of Si<sub>3</sub>N<sub>4</sub>-WC nanoparticles, PVA-Si<sub>3</sub>N<sub>4</sub>-WC nanostructures are highly desirable materials for a wide range of applications. Many optoelectronic devices, including solar cells, transistors, electronic gates, photovoltaic, lasers, diodes, and other related sectors, employ these materials. PVA-Si<sub>3</sub>N<sub>4</sub>-WC nanostructures exhibit high pressure sensitivity, exceptional flexibility, and high resistance to environmental factors in comparison to other sensors, as demonstrated by pressure sensor applications. PVA-Si<sub>3</sub>N<sub>4</sub>-WC nanocomposite films exhibit substantial attenuation coefficients in response to gamma ray exposure. As a consequence, the optical properties of the resulting nanocomposites were significantly enhanced by the addition of Si<sub>3</sub>N<sub>4</sub>-WC nanoparticles. Consequently, this material is considered a promising candidate for gamma-ray blocking and flexible optoelectronic applications.</div><div>Thus, the objective of this research is to create environmentally benign and cost-effective polyvinyl alcohol (PVA) nan
通过加入氮化硅(Si3N4)和碳化钨(WC)纳米颗粒,可以改善聚乙烯醇(PVA)的光学和电学性能。Si3N4和WC的掺入可以进一步改善这些性能,使所得到的材料适用于各种应用,包括光电子学和电子学。铸造技术是制备纳米复合材料的一种方法。我们使用光学显微镜观察到Si3N4-WC纳米颗粒在纯化的PVA聚合物中形成了一个相互连接的网络。傅里叶变换红外光谱(FTIR)揭示了峰位置的变化,物理相互作用的存在以及尺寸和形状的差异。基于交流电学特性,纳米复合材料的介电损耗值(ε″)和介电常数(ε’)随频率(f)的增加而减小。尽管如此,这些值随着纳米材料浓度的增加而增加。当Si3N4-WC浓度为5.1%时,PVA的电导率σ ac和ε′分别从20 S/cm和3 × 10−10 S/cm增加到42 S/cm和9 × 10−10 S/cm。结果表明,Si3N4-WC NPs对PVA的吸收在562 nm处明显增加。此外,允许的间接跃迁的能隙平均减少了50%(从4.2 eV到2.6 eV),而禁止的间接跃迁的能隙减少了大约120%(从3.89 eV到1.6 eV)。随着Si3N4-WC纳米粒子数量的增加,纯PVA聚合物的光学性能呈上升趋势。由于Si3N4-WC纳米颗粒的电学和结构性能的改善,PVA-Si3N4-WC纳米结构是一种非常理想的材料,具有广泛的应用前景。许多光电器件,包括太阳能电池、晶体管、电子门、光伏、激光器、二极管和其他相关部门,都使用这些材料。压力传感器的应用证明,与其他传感器相比,PVA-Si3N4-WC纳米结构具有高压力灵敏度、优异的灵活性和对环境因素的高抵抗力。PVA-Si3N4-WC纳米复合膜在伽马射线照射下表现出显著的衰减系数。结果表明,Si3N4-WC纳米粒子的加入显著提高了纳米复合材料的光学性能。因此,这种材料被认为是伽马射线阻断和柔性光电应用的有前途的候选者。因此,本研究的目标是创建环境友好且具有成本效益的聚乙烯醇(PVA)纳米复合膜,该膜由氮化硅(Si3N4)和碳化钨(WC)颗粒增强。这些膜将表现出增强的光学、电学和结构性能。研究的目的是评估这些材料在开发柔性电容压力传感器和开发有效伽马射线屏蔽材料方面的潜力。
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引用次数: 0
Magnetic and electronic properties of LiFe1-xGaxCr4O8 double spinel by Ga doping Ga掺杂LiFe1-xGaxCr4O8双尖晶石的磁性和电子性能
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-11-03 DOI: 10.1016/j.solidstatesciences.2025.108129
E.P. Arévalo-López , J. Pilo , H. Muñoz , J.M. Cervantes , L. Huerta , J.E. Antonio , R. Valerio-Méndez , J. Vargas-Bustamante , E. Benitez-Flores , Claire Minaud , C. Cosio-Castañeda , R. Escamilla , M. Romero
In this work, the solid solution of the double spinel LiFe1-xGaxCr4O8 was synthesized and characterized by X-ray diffraction, magnetic susceptibility measurements, UV–Vis–NIR spectroscopy, and X-ray photoelectron spectroscopy (XPS). Rietveld refinements show that the crystal structure is cubic with space group F 4 3m (No. 216), which is maintained as Fe is gradually substituted by Ga. The lattice parameter a and unit cell volume V decrease consistently due to the smaller ionic radius of Ga compared to Fe. Magnetic susceptibility data indicate that increasing Ga content reduces ferrimagnetic behavior while enhancing the antiferromagnetic component. From Density Functional Theory (DFT) calculations and using Hubbard-corrected Local Spin Density Approximation (LSDA + U) we observe that LiGaCr4O8 has a direct electronic band gap (Eg) of 1.73 eV at the Γ point. Additionally, UV–Vis–NIR spectroscopy reveals an increasing of the direct optical band gap (Eg) with increasing Ga concentration, from 1.43 eV at x = 0.25–1.54 eV at x = 1.00. XPS analysis of Li 1s, Fe 3p, Ga 3d, Cr 3p, and O 1s core levels, together with the valence band (VB), reveals through detailed spectral deconvolution that the oxidation states of Li1+, Fe3+, Ga3+, and Cr3+ remain constant throughout the solid solution.
本文合成了双尖晶石LiFe1-xGaxCr4O8的固溶体,并通过x射线衍射、磁化率测量、紫外可见近红外光谱和x射线光电子能谱(XPS)对其进行了表征。Rietveld细化表明晶体结构是立方的,具有f4的空间群3m (No. 216),随着Fe逐渐被Ga取代而保持。由于Ga的离子半径比Fe小,晶格参数a和单元胞体积V持续减小。磁化率数据表明,Ga含量的增加降低了铁磁行为,增强了反铁磁成分。通过密度泛函理论(DFT)计算和hubard校正的局部自旋密度近似(LSDA + U),我们观察到LiGaCr4O8在Γ点的直接电子带隙(Eg)为1.73 eV。此外,紫外-可见-近红外光谱显示,直接光学带隙(Eg)随Ga浓度的增加而增加,从x = 0.25时的1.43 eV增加到x = 1.00时的1.54 eV。XPS分析Li 1s、Fe 3p、Ga 3d、Cr 3p和O 1s核能级以及价带(VB),通过详细的光谱反积显示,Li1+、Fe3+、Ga3+和Cr3+的氧化态在整个固溶体中保持恒定。
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引用次数: 0
Computational design of Na2LiXF6 (X = Al, Ga, In, Tl) alkali halide perovskites for emerging optoelectronic technologies 用于新兴光电技术的Na2LiXF6 (X = Al, Ga, In, Tl)碱卤化物钙钛矿的计算设计
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-11-13 DOI: 10.1016/j.solidstatesciences.2025.108133
Md. Mahin Tasdid , Md. Rubayed Hasan Pramanik , Aijaz Rasool Chaudhry , Ahmad Irfan , Nacer Badi , Md. Ferdous Rahman
This research employs density functional theory (DFT) within the GGA-PBE framework to investigate the structural, electronic, mechanical, and optical characteristics of lead-free fluoride-based double perovskites Na2LiXF6 (X = Al, Ga, In, Tl). All compounds are found to crystallize in a stable cubic Fm3m structure, with Goldschmidt tolerance factors confirming their structural integrity. The materials exhibit direct band gaps at the Γ-point, which decrease progressively from 6.83 eV (for Al) to 3.32 eV (for Tl), indicating potential suitability for UV to near-visible optoelectronic applications. The calculated elastic constants verify mechanical stability, showing an increasing trend in ductility with heavier atomic masses. Optical evaluations demonstrate strong transparency in the UV region, distinct dielectric responses, and absorption and reflectivity patterns consistent with band gap variation. Overall, Na2LiXF6 compounds emerge as promising lead-free candidates for efficient optoelectronic device applications.
本研究采用GGA-PBE框架内的密度泛函理论(DFT)研究了无铅氟基双钙钛矿Na2LiXF6 (X = Al, Ga, In, Tl)的结构、电子、机械和光学特性。发现所有化合物结晶在一个稳定的立方Fm3 - m结构中,戈德施密特公差系数证实了它们的结构完整性。材料在Γ-point处表现出直接带隙,从6.83 eV (Al)逐渐减小到3.32 eV (Tl),表明潜在的紫外到近可见光电应用的适用性。计算得到的弹性常数证实了材料的力学稳定性,表明随着原子质量的增加,材料的延展性有增加的趋势。光学评价表明,该材料在紫外区具有很强的透明度,具有明显的介电响应,吸收和反射率模式与带隙变化一致。总的来说,Na2LiXF6化合物是高效光电器件应用的有前途的无铅候选者。
{"title":"Computational design of Na2LiXF6 (X = Al, Ga, In, Tl) alkali halide perovskites for emerging optoelectronic technologies","authors":"Md. Mahin Tasdid ,&nbsp;Md. Rubayed Hasan Pramanik ,&nbsp;Aijaz Rasool Chaudhry ,&nbsp;Ahmad Irfan ,&nbsp;Nacer Badi ,&nbsp;Md. Ferdous Rahman","doi":"10.1016/j.solidstatesciences.2025.108133","DOIUrl":"10.1016/j.solidstatesciences.2025.108133","url":null,"abstract":"<div><div>This research employs density functional theory (DFT) within the GGA-PBE framework to investigate the structural, electronic, mechanical, and optical characteristics of lead-free fluoride-based double perovskites Na<sub>2</sub>LiXF<sub>6</sub> (X = Al, Ga, In, Tl). All compounds are found to crystallize in a stable cubic Fm<span><math><mrow><mover><mn>3</mn><mo>‾</mo></mover></mrow></math></span>m structure, with Goldschmidt tolerance factors confirming their structural integrity. The materials exhibit direct band gaps at the Γ-point, which decrease progressively from 6.83 eV (for Al) to 3.32 eV (for Tl), indicating potential suitability for UV to near-visible optoelectronic applications. The calculated elastic constants verify mechanical stability, showing an increasing trend in ductility with heavier atomic masses. Optical evaluations demonstrate strong transparency in the UV region, distinct dielectric responses, and absorption and reflectivity patterns consistent with band gap variation. Overall, Na<sub>2</sub>LiXF<sub>6</sub> compounds emerge as promising lead-free candidates for efficient optoelectronic device applications.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108133"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517872","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
Ar-irradiation effects on graphite thin film revealed from first-principles based simulations 基于第一性原理的模拟揭示了ar辐照对石墨薄膜的影响
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-11-19 DOI: 10.1016/j.solidstatesciences.2025.108138
Takashi Ikeda
The Ar-irradiation effects on graphite thin film have been investigated using first-principles MD simulations. We introduced a novel damping medium to avoid artifacts due to periodic boundary conditions. This methodology allows to elucidate the detailed processes of the defect formation. We find that the irradiation of our graphite sample with 380 keV Ar tends to create di-vacancies in graphene sheets. This process is due to intralayer displacements of the C atom targeted by the incoming Ar. The inclusion of di-vacancies in the irradiated samples is proved by comparing our simulated Raman spectra with the experimental ones.
利用第一性原理原子动力学模拟研究了ar辐照对石墨薄膜的影响。为了避免周期性边界条件引起的伪影,我们引入了一种新的阻尼介质。这种方法允许阐明缺陷形成的详细过程。我们发现用380 keV的Ar辐照石墨样品会在石墨烯片上产生双空位。这一过程是由于C原子被入射的Ar所瞄准的层内位移引起的。通过将模拟的拉曼光谱与实验的拉曼光谱进行比较,证明了辐照样品中包含有双空位。
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引用次数: 0
The influence of heavy valence band in Bi88Sb12 重价带对Bi88Sb12的影响
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-11-03 DOI: 10.1016/j.solidstatesciences.2025.108109
Bin He , Haihua Hu , Xiaolong Feng , Claudia Felser
Bi-Sb based topological insulators garnered significant research interest due to their role as a platform for investigating the topological surfaces states and achieving a high thermoelectric figure of merit at and below room temperature. However, electronic transport measurements yield contradictory results, particularly above nitrogen temperature. While zero-field transport exhibits a clear two-carrier signature, field-dependent transport reveals only a single-carrier signature. In this study, we systematically investigated the temperature and field dependent transport properties of Bi88Sb12 including p-type doped crystals. A distinct p-n transition is observed above 60 K, with the crystals exhibiting n-type behavior above 100 K regardless of doping. We propose that Bi88Sb12 is intrinsically close to an n-type semiconductor, a characteristic attributed to heavy T-holes that induce an asymmetric electronic structure between the conduction and valence bands.
铋锑基拓扑绝缘体由于其作为研究拓扑表面状态和在室温及室温以下获得高热电性能的平台而获得了重要的研究兴趣。然而,电子输运测量产生矛盾的结果,特别是在氮温度以上。虽然零场传输显示出明显的双载流子签名,但场相关传输仅显示出单载流子签名。在这项研究中,我们系统地研究了含p型掺杂晶体Bi88Sb12的温度和场相关输运性质。在60 K以上观察到明显的p-n转变,而在100 K以上,无论掺杂与否,晶体都表现出n型行为。我们提出Bi88Sb12本质上接近于n型半导体,这一特性归因于重t空穴在导电带和价带之间诱导不对称电子结构。
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引用次数: 0
Bandgap engineering of CIGS thin films via rapid thermal processing for photovoltaic applications 光电应用中快速热处理的CIGS薄膜带隙工程
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-11-12 DOI: 10.1016/j.solidstatesciences.2025.108131
Sachin V. Desarada , Shweta N. Chaure , Vijaya S. Vallabhapurapu , Sreedevi Vallabhapurapu , Nandu B. Chaure
We report a rapid thermal processing (RTP) technique for post-processing the selenization and sulfurization of CuInGaSe2 (CIGS) thin films. CIGS films fabricated via RF-sputtering were exposed to cyclic RTP in elemental sulfur and selenium vapor atmospheres. Sulfurization was performed at 300–700 °C with multiple cycles of 10-s pulses, while selenization employed 350–450 °C. Comprehensive characterization using Raman spectroscopy, XRD with Rietveld refinement, SEM, UV–Vis spectroscopy, and EDS revealed controlled S/(S + Se) tuning from 0.10 to 0.63 during sulfurization and bandgap modulation from 1.08 to 1.24 eV. Single-phase CuInGa(S,Se)2 formation was confirmed at 500 °C. Crystallite size increased from 27 nm for as-deposited to 78 nm for RTP annealed sample, with proportional microstrain reduction. RTP enables 50–60 % faster processing compared to conventional tube furnace methods, significantly reducing thermal budget while maintaining precise compositional control. This approach eliminates toxic H2S and H2Se gases, making it suitable for industrial-scale manufacturing of bandgap-engineered CIGS solar cells and tandem photovoltaic applications.
我们报道了一种快速热加工(RTP)技术用于CuInGaSe2 (CIGS)薄膜的硒化和硫化后处理。通过射频溅射制备的CIGS薄膜在单质硫和硒蒸气气氛中暴露于循环RTP中。硫化在300-700°C下进行,10-s脉冲多次循环,硒化在350-450°C下进行。利用拉曼光谱、Rietveld细化XRD、SEM、UV-Vis光谱和EDS进行综合表征,发现硫化过程中S/(S + Se)的调谐范围从0.10到0.63,带隙调制范围从1.08到1.24 eV。在500℃下,证实了单相CuInGa(S,Se)2的形成。晶粒尺寸从沉积态的27 nm增加到RTP退火后的78 nm,微应变减小成比例。与传统的管式炉方法相比,RTP使处理速度提高了50 - 60%,在保持精确成分控制的同时显着减少了热预算。这种方法消除了有毒的H2S和H2Se气体,使其适用于工业规模的带隙工程CIGS太阳能电池和串联光伏应用。
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引用次数: 0
Hierarchical flower-like zinc ferrite photoanode for enhanced photoelectrocatalytic water splitting effect of ammonium fluoride-assisted morphological control 层次化花状铁酸锌光阳极对增强氟化铵光电催化水裂解效果的辅助形态控制
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-10-28 DOI: 10.1016/j.solidstatesciences.2025.108115
R.A. Kadam , S.B. Madake , M.A. Yewale , A.A. Jadhawar , S.A. Alshehri , R. Venkatesan , D.K. Shin , Minjae Kim
In this study, hierarchical ZnFe2O4 nanostructures were synthesized via a hydrothermal method using ammonium fluoride (NH4F) as a morphology-directing agent. By varying NH4F concentrations (30–120 mM), we successfully modulated the material morphology from agglomerated nanoparticles to highly ordered flower-like architectures. Comprehensive structural and morphological analyses confirmed the formation of phase-pure spinel ZnFe2O4 with tailored crystal orientation and reduced lattice strain. Among the samples, the ZF-AF-120mM nanostructure, composed of radially assembled nanosheets, exhibited outstanding photoelectrochemical (PEC) performance for solar water splitting. It delivered a peak photocurrent density of 6.25 mA cm−2 at 1.3 V vs. Ag/AgCl and an applied bias photon-to-current efficiency (ABPE) of 0.45 %, along with excellent stability (61.1 % retention over 2h). Electrochemical impedance spectroscopy revealed the lowest charge transfer resistance (Rct = 16.09 Ω) for ZF-AF-120mM, indicating enhanced charge transport and reduced recombination. The exceptional PEC activity is attributed to the hierarchical nanoflower morphology, which promotes superior light harvesting, increased surface area, and efficient charge carrier dynamics. These results underscore the crucial role of NH4F-mediated morphology engineering in optimizing spinel ferrite photoanodes for efficient and durable solar-driven hydrogen generation.
本研究以氟化铵(NH4F)为形态导向剂,通过水热法制备了具有层次结构的ZnFe2O4纳米结构。通过改变NH4F浓度(30-120 mM),我们成功地将材料形态从凝聚的纳米颗粒调节为高度有序的花状结构。综合结构和形态分析证实,形成了取向定制、晶格应变减小的相纯尖晶石ZnFe2O4。其中,由径向组装纳米片组成的ZF-AF-120mM纳米结构在太阳能水分解中表现出优异的光电化学(PEC)性能。在1.3 V vs. Ag/AgCl下,它的峰值光电流密度为6.25 mA cm−2,应用偏压光子电流效率(ABPE)为0.45%,具有优异的稳定性(2h内保持率为61.1%)。电化学阻抗谱显示ZF-AF-120mM的电荷转移电阻最低(Rct = 16.09 Ω),表明电荷传输增强,复合减少。特殊的PEC活性归因于分层纳米花的形态,它促进了优越的光收集,增加了表面积,以及有效的载流子动力学。这些结果强调了nh4f介导的形态学工程在优化尖晶石铁氧体光阳极以实现高效耐用的太阳能制氢方面的关键作用。
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引用次数: 0
Impact of Ni substitution at Mn site in Nd2CoMnO6: Insights into structural, magnetic, and magnetocaloric properties Nd2CoMnO6中Mn位Ni取代的影响:对结构、磁性和磁热学性质的见解
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-10-22 DOI: 10.1016/j.solidstatesciences.2025.108106
Nibedita Nayak, S. Ravi
The bulk Nd2CoMn1-xNixO6 (x = 0.0–0.4) (NCMNO) compounds were prepared by the solid-state reaction approach. Analysis of X-Ray diffraction patterns confirmed the formation of a single-phase monoclinic structure for all samples with a space group of P21/n. Long-range ferromagnetic (FM) ordering with a transition temperature (TC1) of 161 K is observed for x = 0.0 sample and it increases to 170 K for x = 0.1. The TC1 value decreases from 167 K for x = 0.2–146 K for x = 0.4. Interestingly, a second magnetic transition (TC2) emerges at 177 K for x = 0.3 and it shifts to 185 K for x = 0.4. All samples exhibit a downward trend in magnetic susceptibility with decreasing temperature, indicating short-range FM interactions in the paramagnetic (PM) region and pointing to the presence of Griffiths phase in the PM region. At 5 K, isothermal magnetization loops are recorded and the saturation magnetization (MS) values are estimated using the Law of Approach to Saturation model. The value of MS is calculated to be 54.5 emu/g for the parent sample, which reduced to 24.4 emu/g for x = 0.4 sample. The magnetocaloric effect is also analysed by determining the change in magnetic entropy (ΔSM), which shows a peak at the transition temperature and it increases with applied magnetic field. A maximum ΔSM value at 9 T field is calculated to be 3.71 J/kg.K for x = 0.1 sample. Additionally, relative cooling power (RCP) and temperature averaged entropy change (TEC) are calculated for refrigeration relevance. The second order nature of phase transition is confirmed by Arrott plots and is further supported by the analysis of the power law exponent n. The variation of n with field and temperature (N (T, H)) is also calculated for both the samples.
采用固相反应法制备了体积Nd2CoMn1-xNixO6 (x = 0.0 ~ 0.4) (NCMNO)化合物。x射线衍射图分析证实了P21/n空间群均为单相单斜结构。当x = 0.0时,观察到相变温度(TC1)为161 K,当x = 0.1时,相变温度增加到170 K。TC1值从x = 0.2时的167 K下降到x = 0.4时的146 K。有趣的是,当x = 0.3时,第二次磁跃迁(TC2)出现在177 K,当x = 0.4时,它转移到185 K。所有样品的磁化率随温度的降低呈下降趋势,表明顺磁区存在近程FM相互作用,表明顺磁区存在Griffiths相。在5 K时,记录了等温磁化回路,并利用接近饱和定律模型估计了饱和磁化(MS)值。母体样品的MS值为54.5 emu/g, x = 0.4样品的MS值降至24.4 emu/g。通过测定磁熵的变化(−ΔSM)也分析了磁热效应,磁熵在转变温度处达到峰值,并随着外加磁场的增加而增加。计算出9t场的最大值- ΔSM为3.71 J/kg。K为x = 0.1样本。此外,相对冷却功率(RCP)和温度平均熵变(TEC)计算制冷相关性。Arrott图证实了相变的二阶性质,幂律指数n的分析进一步支持了相变的二阶性质。计算了两种样品的n随场和温度的变化(n (T, H))。
{"title":"Impact of Ni substitution at Mn site in Nd2CoMnO6: Insights into structural, magnetic, and magnetocaloric properties","authors":"Nibedita Nayak,&nbsp;S. Ravi","doi":"10.1016/j.solidstatesciences.2025.108106","DOIUrl":"10.1016/j.solidstatesciences.2025.108106","url":null,"abstract":"<div><div>The bulk Nd<sub>2</sub>CoMn<sub>1-<em>x</em></sub>Ni<sub><em>x</em></sub>O<sub>6</sub> (<em>x</em> = 0.0–0.4) (NCMNO) compounds were prepared by the solid-state reaction approach. Analysis of X-Ray diffraction patterns confirmed the formation of a single-phase monoclinic structure for all samples with a space group of P2<sub>1</sub>/n. Long-range ferromagnetic (FM) ordering with a transition temperature (<span><math><mrow><msub><mi>T</mi><mrow><mi>C</mi><mn>1</mn></mrow></msub></mrow></math></span>) of 161 <em>K</em> is observed for <em>x</em> = 0.0 sample and it increases to 170 <em>K</em> for <em>x</em> = 0.1. The <span><math><mrow><msub><mi>T</mi><mrow><mi>C</mi><mn>1</mn></mrow></msub></mrow></math></span> value decreases from 167 <em>K</em> for <em>x</em> = 0.2–146 <em>K</em> for <em>x</em> = 0.4. Interestingly, a second magnetic transition (<span><math><mrow><msub><mi>T</mi><mrow><mi>C</mi><mn>2</mn></mrow></msub></mrow></math></span>) emerges at 177 <em>K</em> for <em>x</em> = 0.3 and it shifts to 185 <em>K</em> for <em>x</em> = 0.4. All samples exhibit a downward trend in magnetic susceptibility with decreasing temperature, indicating short-range FM interactions in the paramagnetic (PM) region and pointing to the presence of Griffiths phase in the PM region. At 5 <em>K</em>, isothermal magnetization loops are recorded and the saturation magnetization (<span><math><mrow><msub><mi>M</mi><mi>S</mi></msub></mrow></math></span>) values are estimated using the Law of Approach to Saturation model. The value of <span><math><mrow><msub><mi>M</mi><mi>S</mi></msub></mrow></math></span> is calculated to be 54.5 <em>emu/g</em> for the parent sample, which reduced to 24.4 <em>emu/g</em> for <em>x</em> = 0.4 sample. The magnetocaloric effect is also analysed by determining the change in magnetic entropy (<span><math><mrow><mo>−</mo><msub><mrow><mo>Δ</mo><mi>S</mi></mrow><mi>M</mi></msub></mrow></math></span>), which shows a peak at the transition temperature and it increases with applied magnetic field. A maximum <span><math><mrow><mo>−</mo><msub><mrow><mo>Δ</mo><mi>S</mi></mrow><mi>M</mi></msub></mrow></math></span> value at 9 <em>T</em> field is calculated to be 3.71 J/kg.K for <em>x</em> = 0.1 sample. Additionally, relative cooling power (RCP) and temperature averaged entropy change (TEC) are calculated for refrigeration relevance. The second order nature of phase transition is confirmed by Arrott plots and is further supported by the analysis of the power law exponent n. The variation of n with field and temperature (N (T, H)) is also calculated for both the samples.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108106"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145414891","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
Synthesis of novel N,S-rGO/MnFe2O4 nanocomposites with high photocatalytic activity for nitro group removal from toxic nitroaromatic compounds 新型高光催化活性N,S-rGO/MnFe2O4纳米复合材料的合成
IF 3.3 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-12-01 Epub Date: 2025-10-18 DOI: 10.1016/j.solidstatesciences.2025.108104
Farshid Salimi Nanekaran, Ali Oji Moghanlou, Sahand Salamati
This study introduces the synthesis of innovative N,S-rGO/MnFe2O4 nanocomposites designed for the photocatalytic reduction of toxic nitroaromatic pollutants into their aminoaromatic counterparts. Utilizing a hydrothermal approach, graphene oxide undergoes reduction to its reduced form (rGO) while nitrogen and sulfur are doped into its framework and MnFe2O4 nanoparticles are incorporated between its layers. Comprehensive structural and optical characterizations, including FT-IR, XPS, XRD, SEM, TEM, UV–vis DRS, EDS, photoluminescence spectroscopy, and electrochemical impedance spectroscopy, confirmed the successful doping and uniform integration of MnFe2O4 nanoparticles. The synthesized nanocomposites exhibited outstanding photocatalytic efficiency under visible-light irradiation, achieving a remarkable 100 % conversion of nitrobenzene to aniline within just 45 min, with hydrazine monohydrate serving as the hydrogen source. Furthermore, the developed photocatalyst demonstrated exceptional stability and recyclability, maintaining its structural integrity and catalytic effectiveness over eight consecutive significant degradation.
本研究介绍了新型N,S-rGO/MnFe2O4纳米复合材料的合成,该复合材料用于光催化还原有毒的硝基芳香族污染物为其氨基芳香族污染物。利用水热法,氧化石墨烯被还原成还原态(rGO),同时氮和硫被掺杂到其框架中,MnFe2O4纳米颗粒被掺入其层间。通过FT-IR、XPS、XRD、SEM、TEM、UV-vis DRS、EDS、光致发光光谱、电化学阻抗谱等全面的结构和光学表征,证实了MnFe2O4纳米颗粒的成功掺杂和均匀集成。合成的纳米复合材料在可见光照射下表现出优异的光催化效率,以一水合肼为氢源,在45分钟内将硝基苯100%转化为苯胺。此外,所开发的光催化剂表现出优异的稳定性和可回收性,在连续八次显著降解中保持其结构完整性和催化效率。
{"title":"Synthesis of novel N,S-rGO/MnFe2O4 nanocomposites with high photocatalytic activity for nitro group removal from toxic nitroaromatic compounds","authors":"Farshid Salimi Nanekaran,&nbsp;Ali Oji Moghanlou,&nbsp;Sahand Salamati","doi":"10.1016/j.solidstatesciences.2025.108104","DOIUrl":"10.1016/j.solidstatesciences.2025.108104","url":null,"abstract":"<div><div>This study introduces the synthesis of innovative N,S-rGO/MnFe<sub>2</sub>O<sub>4</sub> nanocomposites designed for the photocatalytic reduction of toxic nitroaromatic pollutants into their aminoaromatic counterparts. Utilizing a hydrothermal approach, graphene oxide undergoes reduction to its reduced form (rGO) while nitrogen and sulfur are doped into its framework and MnFe<sub>2</sub>O<sub>4</sub> nanoparticles are incorporated between its layers. Comprehensive structural and optical characterizations, including FT-IR, XPS, XRD, SEM, TEM, UV–vis DRS, EDS, photoluminescence spectroscopy, and electrochemical impedance spectroscopy, confirmed the successful doping and uniform integration of MnFe<sub>2</sub>O<sub>4</sub> nanoparticles. The synthesized nanocomposites exhibited outstanding photocatalytic efficiency under visible-light irradiation, achieving a remarkable 100 % conversion of nitrobenzene to aniline within just 45 min, with hydrazine monohydrate serving as the hydrogen source. Furthermore, the developed photocatalyst demonstrated exceptional stability and recyclability, maintaining its structural integrity and catalytic effectiveness over eight consecutive significant degradation.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"170 ","pages":"Article 108104"},"PeriodicalIF":3.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145414960","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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Solid State Sciences
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