Inorganic Chemistry Communications最新文献

A comprehensive analysis of structural, electronic, optical, mechanical, thermodynamic, and thermoelectric properties of direct band gap Sr3BF3 (B = As, Sb) photovoltaic compounds: DFT-GGA and mBJ approach 全面分析直接带隙 Sr3BF3（B = As、Sb）光伏化合物的结构、电子、光学、机械、热力学和热电特性：DFT-GGA 和 mBJ 方法

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-22 DOI: 10.1016/j.inoche.2024.113607

Muneef Hasan , Adil Hossain , Heider A. Abdulhussein , Abdullah Al Shadi , Bijoy Sorker , Ahmed Adnan Al-Khafagi , Redi Kristian Pingak , Diana Dahliah , Mohammed S. Abu-Jafar , Asif Hosen

This study evaluates the physical properties of lead-free Sr₃BF₃ (B = As, Sb) photovoltaic compounds including structural, electronic, mechanical, optical, thermodynamic, and thermoelectric behavior using calculations based on DFT approach. Born stability criteria and formation enthalpy estimates show that the compounds under study are mechanically and thermodynamically stable. The initial lattice constants for Sr₃AsF₃ and Sr₃SbF₃ were determined to be 5.71 Å and 5.97 Å, respectively. While simulating the compounds under pressure, lattice constants, cell volumes, and bond lengths decrease. The band structure investigation shows that these compounds are semiconducting with an adjustable direct bandgap. The electronic band gap contracts by pressure, shifting the material from ultraviolet to the visible spectrum. This modification enhances electron transition from valence band maxima to conduction band minima, enhancing optical efficiency. The shift and rise in ductility and machinability index under pressure ensures good lubrication, low friction, and significant plastic deformation suitable for many industrial applications. Simultaneously, the static dielectric constant increases, increasing absorption and conductivity and red-shifting the optical spectrum, and reducing reflectivity in the visible spectrum. The thermodynamic behavior of the compounds was affected by both pressure and temperature variation. The thermoelectric figure of merit becomes closer to unity with a shorter band gap, indicating increased efficiency. Our findings suggest that Sr₃BF₃ (B = As, Sb) photovoltaic compounds could be used for the invention of next-generation solar cells and thermoelectric devices.

本研究采用基于 DFT 方法的计算，评估了无铅 Sr3BF3（B = As、Sb）光伏化合物的物理性质，包括结构、电子、机械、光学、热力学和热电行为。博恩稳定性标准和形成焓估算表明，所研究的化合物在机械和热力学上都是稳定的。Sr3AsF3 和 Sr3SbF3 的初始晶格常数分别为 5.71 Å 和 5.97 Å。在压力下模拟这些化合物时，晶格常数、晶胞体积和键长都会减小。带状结构研究表明，这些化合物是具有可调直接带隙的半导体。电子带隙在压力作用下收缩，使材料从紫外光谱转移到可见光谱。这种改变增强了电子从价带最大值向导带最小值的转变，从而提高了光学效率。在压力作用下，延展性和可加工性指数的变化和上升确保了良好的润滑性、低摩擦性和显著的塑性变形，适合许多工业应用。同时，静态介电常数增大，增加了吸收和传导性，使光学光谱发生红移，并降低了可见光谱的反射率。化合物的热力学行为受到压力和温度变化的影响。带隙越短，热电功勋值越接近于 1，表明效率越高。我们的研究结果表明，Sr3BF3（B = As、Sb）光伏化合物可用于发明下一代太阳能电池和热电设备。

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引用次数: 0

Effective removal of tetracycline hydrochloride from wastewater over porous Co3O4@NC/honeycomb ceramics by Fenton-like catalysis 类芬顿催化法在多孔 Co3O4@NC/honeycomb 陶瓷上有效去除废水中的盐酸四环素

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-20 DOI: 10.1016/j.inoche.2024.113598

Longhui Nie, Caihong Fang, Sitian Xin, Yiqiong Yang, Heng Chen, Xingru Chen, Xueling Li

The accumulation of antibiotics (as emerging pollutants) in water will produce adverse impacts on all aquatic living. Herein, the removal of tetracycline hydrochloride (TCH) was investigated on porous Co₃O₄@N doped C supported on honeycomb ceramics (Co₃O₄@NC-HC) Fenton-like catalysts. The enrichment of pyridine N, Co³⁺ surface active sites and oxygen vacancy (V_O) in Co₃O₄@NC-HC favors PMS activation to generate reactive oxygen species (ROS, such as ⋅OH, ⋅SO₄⁻, ⋅O₂⁻ radicals and ¹O₂) for TCH oxidation. The Co₃O₄@NC-HC catalysts exhibited excellent activity (84 % removal efficiency in the first 5 min at 35 mg L⁻¹ on 1.0Co₃O₄@NC-HC) and relatively good stability for Fenton-like TCH oxidation with PMS in the dark and a wide pH range (pH = 2–11). The related catalytic mechanism over Co₃O₄@NC/HC for TCH oxidation was investigated. The results of the toxicity evaluation showed that the toxicity of TCH was significantly reduced after degradation. The features of porous structure and large macroscopic size for Co₃O₄@NC-HC enable it to have a low fluid resistance and be easily recycled, which promotes its actual application.

抗生素（作为新兴污染物）在水中的积累将对所有水生生物产生不利影响。本文研究了多孔 Co3O4@N 掺杂 C 支持蜂窝陶瓷（Co3O4@NC-HC）类芬顿催化剂去除盐酸四环素（TCH）的情况。Co3O4@NC-HC 中富含吡啶 N、Co3+ 表面活性位点和氧空位 (VO)，有利于 PMS 活化生成活性氧（ROS，如⋅OH、⋅SO4-、⋅O2- 自由基和 1O2），从而实现 TCH 氧化。Co3O4@NC-HC 催化剂在黑暗和较宽的 pH 值范围（pH = 2-11）内与 PMS 进行 Fenton-like TCH 氧化反应时表现出优异的活性（1.0Co3O4@NC-HC 在 35 mg L-1 的条件下，前 5 分钟的去除率为 84%）和相对较好的稳定性。研究了 Co3O4@NC/HC 对 TCH 氧化的相关催化机理。毒性评估结果表明，降解后 TCH 的毒性显著降低。Co3O4@NC-HC的多孔结构和大尺寸特点使其具有流体阻力小、易回收等优点，促进了其实际应用。

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引用次数: 0

A simple preparation method of Ti/TiO2/BiVO4 and implications for enhanced photoelectrocatalytic performance under visible light illumination Ti/TiO2/BiVO4 的简单制备方法及其对提高可见光照射下光电催化性能的影响

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-20 DOI: 10.1016/j.inoche.2024.113602

Xing-Peng Wei, Yu-Ting Yang, Zi-Yi Zheng, Wang-Bo Yuan, Hong-Gang Ni

A minimalist approach to fabricate the synthetic composite Ti/TiO₂/BiVO₄ was proposed. Concurrently, the photoelectrocatalytic performance and activity of the Ti/TiO₂/BiVO₄ electrode were evaluated. Specifically, the relationship between composition, morphology, and photocurrent response was initially discussed. Then, the transient photocurrent, linear sweep voltammetry, photoconversion efficiency, and electrochemical impedance spectroscopy were employed to test the photoelectrochemical performance. To evaluate the photoelectrocatalytic activity of this composite electrode, rhodamine B (RhB) degradation under optimized experimental conditions was selected as a typical case study. Compared with other similar electrodes, the present electrode had a short preparation time, excellent photocurrent response, high RhB removal, and high stability. Based on the measurements of trapping experiments, Mott−Schottky spectroscopy (M−S), UV–visible diffuse reflectance spectra (UV–Vis DRS), electron paramagnetic resonance (EPR), and degradation intermediate products, a possible photoelectrocatalytic degradation mechanism of Ti/TiO₂/BiVO₄ was proposed. According to our results, ·O₂⁻ should be the dominant oxidative species. The Z-scheme heterojunction of Ti/TiO₂/BiVO₄ has a new microstructure with potential in wastewater treatment.

提出了一种制造合成复合 Ti/TiO2/BiVO4 的简约方法。同时，对 Ti/TiO2/BiVO4 电极的光电催化性能和活性进行了评估。具体来说，首先讨论了组成、形态和光电流响应之间的关系。然后，采用瞬态光电流、线性扫描伏安法、光电转换效率和电化学阻抗谱来测试光电化学性能。为了评估该复合电极的光电催化活性，选择了在优化实验条件下降解罗丹明 B（RhB）作为典型案例研究。与其他同类电极相比，该电极具有制备时间短、光电流响应好、RhB 去除率高和稳定性高等特点。根据捕集实验、莫特-肖特基光谱（M-S）、紫外可见光漫反射光谱（UV-Vis DRS）、电子顺磁共振（EPR）和降解中间产物的测量结果，提出了 Ti/TiO2/BiVO4 可能的光电催化降解机理。根据我们的研究结果，-O2- 应该是主要的氧化物种。Ti/TiO2/BiVO4 的 Z 型异质结具有新的微观结构，在废水处理方面具有潜力。

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引用次数: 0

TiO2/NiFe2-xCexO4/rGO ternary magnetic nanocomposite as separable and recyclable photocatalyst 作为可分离和可回收光催化剂的 TiO2/NiFe2-xCexO4/rGO 三元磁性纳米复合材料

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-20 DOI: 10.1016/j.inoche.2024.113603

Fatemeh Sadat Seyed Atashi, Felora Heshmatpour

This study investigates the synthesis and application of a TiO₂/NiFe_2-xCe_xO₄/rGO ternary magnetic nanocomposite as an efficient and recyclable photocatalyst. The nanocomposite was characterized using Fourier-transform infrared(FTIR), X-ray diffraction(XRD), Field emission scanning electron microscopy(FE-SEM), magnetic measurements, UV–Vis diffuse reflectance spectroscopy(DRS), and X-ray photoelectron spectroscopy (XPS). FTIR analysis confirmed the formation of the inverse spinel cubic structure, with significant vibrational bands related to metal–oxygen complexes. XRD patterns showed successful incorporation of Ce³⁺ ions into the NiFe₂O₄ lattice, with shifts in diffraction peaks indicating changes in crystallite size and lattice parameters. FE-SEM images revealed a well-dispersed distribution of TiO₂ and NiFe₂O₄ nanoparticles on the reduced graphene oxide (rGO) surface, enhancing the nanocomposite’s structural integrity. Energy dispersive X-ray(EDX) analysis demonstrated the presence of Ti, Ni, Fe, Ce, O, and C elements in the ternary nanocomposite without impurities, confirming the high purity of the material. Magnetic measurements indicated increased magnetization due to Ce³⁺ doping. DRS revealed optical band gaps (Bg), and XPS provided detailed insights into the surface chemical composition and valence states. XPS analysis confirmed the presence of Ni²⁺, Fe³⁺, Ti⁴⁺, and Ce³⁺ ions, and verified the reduction of graphene oxide to rGO. Importantly, the XPS data also indicated a reduction in the binding energy of oxygen species, which suggests effective electron trapping. The photocatalytic performance was assessed by the degradation of methylene blue (MB) under UV and Vis light. The TiO₂/NiFe_2-xCe_xO₄/rGO nanocomposite demonstrated superior photocatalytic activity with high degradation rates. The enhanced photocatalytic efficiency is attributed to efficient electron trapping, which reduces electron-hole recombination. Furthermore, the nanocomposite showed excellent reusability, maintaining high photocatalytic efficiency over multiple cycles of use, which underscores its potential for practical applications in environmental remediation.

本研究探讨了作为高效可回收光催化剂的 TiO2/NiFe2-xCexO4/rGO 三元磁性纳米复合材料的合成和应用。研究采用傅立叶变换红外光谱（FTIR）、X 射线衍射（XRD）、场发射扫描电子显微镜（FE-SEM）、磁性测量、紫外可见漫反射光谱（DRS）和 X 射线光电子能谱（XPS）对该纳米复合材料进行了表征。傅立叶变换红外光谱分析证实了反尖晶石立方结构的形成，并带有与金属氧络合物相关的重要振带。XRD 图谱显示，Ce3+ 离子成功地融入了 NiFe2O4 晶格，衍射峰的移动表明晶粒尺寸和晶格参数发生了变化。FE-SEM 图像显示 TiO2 和 NiFe2O4 纳米粒子在还原氧化石墨烯（rGO）表面分布均匀，增强了纳米复合材料的结构完整性。能量色散 X 射线（EDX）分析表明，三元纳米复合材料中不含杂质，含有 Ti、Ni、Fe、Ce、O 和 C 元素，证实了材料的高纯度。磁性测量结果表明，由于掺杂了 Ce3+，磁化率有所提高。DRS 揭示了光带隙（Bg），而 XPS 则详细揭示了表面化学成分和价态。XPS 分析证实了 Ni2+、Fe3+、Ti4+ 和 Ce3+ 离子的存在，并验证了氧化石墨烯还原成 rGO 的过程。重要的是，XPS 数据还表明氧物种的结合能降低了，这表明电子捕获有效。光催化性能通过亚甲基蓝（MB）在紫外光和可见光下的降解进行了评估。TiO2/NiFe2-xCexO4/rGO 纳米复合材料表现出卓越的光催化活性和较高的降解率。光催化效率的提高归功于高效的电子捕获，从而减少了电子-空穴重组。此外，该纳米复合材料显示出极佳的可重复使用性，在多次循环使用后仍能保持较高的光催化效率，这凸显了其在环境修复领域的实际应用潜力。

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引用次数: 0

Highly sensitive, selective and rapid in-vitro electrochemical sensing of dopamine achieved on oxygen deficient nickel oxide/partially reduced graphene oxide (NiOx/p-rGO) nanocomposite platform 在缺氧氧化镍/部分还原氧化石墨烯（NiOx/p-rGO）纳米复合材料平台上实现多巴胺的高灵敏度、选择性和快速体外电化学传感

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-20 DOI: 10.1016/j.inoche.2024.113575

Rimpa Mondal , Sk. Faruque Ahmed , Nillohit Mukherjee

In this work, efforts have been given to address the challenge of rapid detection of the neurotransmitter dopamine in ppb or nanomolar (nM) order without compromising with sensitivity and selectivity. Here, oxygen deficient nickel oxide (NiO_x) has been chosen to make composite with partially reduced graphene oxide i.e., p-rGO, which being another multifunctional material bears its own significance for this purpose. An in-situ electrochemical technique was adopted to deposit thin films of NiO_x/p-rGO nanocomposite on fluorine doped tin oxide coated glass substrates. The deposited films were thoroughly characterized for structural, phase purity, compositional and morphological aspects. Detailed electrochemical properties and sensing attributes of the fabricated electrodes were established through cyclic voltammetry, differential pulse voltammetry, chronoamperometry and electrochemical impedance spectroscopy. The sensing platform delivered a markedly high value of sensitivity of 24.76 µAµM^-1cm⁻² towards in-vitro sensing of dopamine taken in ppb order; associated with a very low limit of detection of 22.0 nM, i.e., 4.17 ppb and a very fast response time of 30 ms. The developed sensing platform was found to be robust enough from the point of view of both structural properties and sensing performance. Detailed studies on the effect of temperature, pH and scan rate were also carried out. Analysis of real sample was also executed taking adult human male urine that yielded a promisingly good recovery factor (98 – 100 %) and fairly low relative standard deviation (0.15 – 0.53), making the sensing platform suitable for real life applications.

在这项工作中，我们努力应对在不影响灵敏度和选择性的前提下快速检测ppb或纳摩尔（nM）级神经递质多巴胺的挑战。在这里，我们选择了缺氧氧化镍（NiOx）与部分还原氧化石墨烯（即 p-rGO）进行复合。我们采用原位电化学技术，在掺氟氧化锡涂层玻璃基底上沉积 NiOx/p-rGO 纳米复合薄膜。沉积的薄膜在结构、相纯度、成分和形态方面都得到了全面的表征。通过循环伏安法、差分脉冲伏安法、计时阻抗法和电化学阻抗光谱法，确定了所制电极的详细电化学特性和传感属性。该传感平台对ppb 级多巴胺的体外传感灵敏度高达 24.76 µAµM-1cm-2，检出限极低，仅为 22.0 nM（即 4.17 ppb），响应时间极短，仅为 30 毫秒。从结构特性和传感性能的角度来看，所开发的传感平台具有足够的稳定性。此外，还对温度、pH 值和扫描速率的影响进行了详细研究。此外，还对成年男性尿液的真实样本进行了分析，结果表明回收率（98 - 100 %）和相对标准偏差（0.15 - 0.53）都很高，使该传感平台适用于现实生活中的应用。

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引用次数: 0

Insights from computational analysis on novel Lead-Free FrGeCl3 perovskite solar cell using DFT and SCAPS-1D 利用 DFT 和 SCAPS-1D 对新型无铅 FrGeCl3 包晶太阳能电池进行计算分析的启示

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-20 DOI: 10.1016/j.inoche.2024.113578

Md.Shahriar Rahman , Apon Kumar Datta , Sahjahan Islam , Md.Mahmudul Hasan , Ushna Das , M.Abu Sayed , Md.Ferdous Wahid , Avijit Ghosh , Dipika Das Ria

Although inorganic metal-halide perovskite solar cells (PSCs) have acquired major strides, the reliance on lead (Pb)-based materials remains a major drawback due to Pb’s toxicity. To explore safer alternatives, this study examines the opto-electronic characteristics of lead-free cubic perovskite FrGeCl₃ using first-principles density functional theory (DFT) to appraise its suitability for photovoltaic (PV) applications. The cubic FrGeCl₃ demonstrated thermodynamic stability with a negative formation energy. Using Perdew–Burke–Ernzerhof (PBE) generalized gradient approximation (GGA), key properties were derived and incorporated into the SCAPS-1D simulation framework. Various configurations were tested using SnS₂ and ZnSe as electron transport layers (ETLs) and V₂O₅, CuSCN, and SrCu₂O₂ as hole transport layers (HTLs). The most favorable performance came from the Back Contact/CuSCN/FrGeCl₃/ZnSe/FTO configuration, resulting in a power conversion efficiency (PCE) of 29.39 %. Further optimizations on thickness, interface defect density, doping concentration, and defect concentration led to substantial performance improvements. The role of parasitic resistance in PSC performance was also evaluated. Carbon (C) was proposed as the back contact material. Simulation results yielded promising metrics, including an open-circuit voltage (V_OC) of 0.859 V, a short-circuit current density (J_SC) of 42.401 mA/cm², a fill factor (FF) of 82.06 %, and a notable PCE of 29.88 %. This research may contribute significant understanding toward the experimental advancement of FrGeCl₃-based PSCs, aiming to improve performance and efficacy in PV technologies.

虽然无机金属卤化物包晶体太阳能电池（PSCs）取得了长足的进步，但由于铅的毒性，对铅（Pb）基材料的依赖仍然是一个主要缺点。为了探索更安全的替代品，本研究采用第一原理密度泛函理论（DFT）研究了无铅立方包晶FrGeCl3的光电特性，以评估其在光伏（PV）应用中的适用性。立方FrGeCl3表现出热力学稳定性，其形成能为负值。利用 Perdew-Burke-Ernzerhof (PBE) 广义梯度近似 (GGA)，得出了其关键特性，并将其纳入 SCAPS-1D 模拟框架。使用 SnS2 和 ZnSe 作为电子传输层 (ETL)，V2O5、CuSCN 和 SrCu2O2 作为空穴传输层 (HTL) 测试了各种配置。背面接触/CuSCN/FrGeCl3/ZnSe/FTO 配置的性能最出色，功率转换效率 (PCE) 达到 29.39%。进一步优化厚度、界面缺陷密度、掺杂浓度和缺陷浓度后，性能有了大幅提高。此外，还评估了寄生电阻在 PSC 性能中的作用。建议使用碳（C）作为背接触材料。模拟结果得出了很有前途的指标，包括 0.859 V 的开路电压 (VOC)、42.401 mA/cm2 的短路电流密度 (JSC)、82.06 % 的填充因子 (FF) 和 29.88 % 的显著 PCE。这项研究可能会对基于 FrGeCl3 的 PSC 的实验进展产生重大影响，从而提高光伏技术的性能和功效。

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引用次数: 0

Optimizing ZnFe2O4 with copper substitution for improved lithium storage performance 优化铜替代 ZnFe2O4，提高锂存储性能

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-19 DOI: 10.1016/j.inoche.2024.113572

Muneer Hussain , Abrar Hussain , Anjum Hussain , Syed Mustansar Abbas , Muhammad Tahir Khan , Faisal Katib Alanazi , Naif Ahmed Alshehri

The facile sol–gel method is used to synthesize Zn_1-xCu_xFe₂O₄ (0 ≤ x ≤ 0.4) nanoparticles and tested as LIBs anode. The research demonstrated the successful substitution of Zn⁺² with Cu⁺² ions within the cubic spinel framework of ZnFe₂O₄. The average crystalline size of the prepared samples confirmed by XRD ranged from 40.98 to 31.40 nm. FESEM and EDS analyses revealed particle morphologies and elemental distributions, with average particle sizes ranging from 30 to 40 nm. A higher Cu concentration correlates with a lower band gap energy, as indicated by DRS analysis. The incorporation of dopants into ZnFe₂O₄ significantly improves its overall electrical conductivity, leading to enhanced electrochemical performance when utilized as an anode in LIBs. The Zn_1-xCu_xFe₂O₄ (x = 0.2), attains the highest specific surface area of 206.4 m² g⁻¹ and exhibits an average pore size of about 12 nm. The Zn_1-xCu_xFe₂O₄ (x = 0.2) electrode delivered maximum initial charge/discharge specific capacities of 1472.8/1274.5 mAh g⁻¹, resulting in a coulombic efficiency of 86.5 %. In comparison to pure ZnFe₂O₄, which delivered a specific capacity of only 794.7 mAh g⁻¹ after 100 cycles, the Zn_1-xCu_xFe₂O₄ (x = 0.2) electrode demonstrated remarkable cycling stability by maintaining a capacity of 910.1 mAh g⁻¹ at a current density of 0.1 A g⁻¹. Additionally, the electrode exhibited outstanding rate performance characteristics, maintaining a specific capacity of 788.0 mAh g⁻¹ at a high current density of 5.0 A/g. The superior electrochemical results obtained for Zn_1-xCu_xFe₂O₄ (x = 0.2) demonstrate its potential as a high-performance electrode material for battery technology.

该研究采用简便的溶胶-凝胶法合成了 Zn1-xCuxFe2O4 (0 ≤ x ≤ 0.4) 纳米粒子，并将其作为 LIBs 阳极进行了测试。研究表明，在 ZnFe2O4 的立方尖晶石框架内，成功地用 Cu+2 离子取代了 Zn+2。经 XRD 证实，所制备样品的平均结晶尺寸在 40.98 至 31.40 nm 之间。FESEM 和 EDS 分析显示了颗粒形态和元素分布，平均颗粒大小在 30 至 40 纳米之间。DRS 分析表明，铜浓度越高，带隙能越低。在 ZnFe2O4 中加入掺杂剂可显著提高其整体导电性，从而在用作 LIB 负极时提高电化学性能。Zn1-xCuxFe2O4（x = 0.2）的比表面积最高，达到 206.4 m2 g-1，平均孔径约为 12 nm。Zn1-xCuxFe2O4 (x = 0.2) 电极的最大初始充放电比容量为 1472.8/1274.5 mAh g-1，库仑效率为 86.5%。与纯 ZnFe2O4 相比，Zn1-xCuxFe2O4（x = 0.2）电极在 100 次循环后的比容量仅为 794.7 mAh g-1，而 Zn1-xCuxFe2O4（x = 0.2）电极在 0.1 A g-1 的电流密度下保持了 910.1 mAh g-1 的容量，表现出显著的循环稳定性。此外，该电极还表现出出色的速率性能特性，在 5.0 A/g 的高电流密度下仍能保持 788.0 mAh g-1 的比容量。Zn1-xCuxFe2O4（x = 0.2）获得的优异电化学结果证明了其作为电池技术中高性能电极材料的潜力。

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引用次数: 0

Unveiling the role of temperature on structural, compositional, morphological, thermal and optical properties of hydrothermally synthesized SnS2 nanostructures 揭示温度对水热合成 SnS2 纳米结构的结构、组成、形态、热和光学特性的影响

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-19 DOI: 10.1016/j.inoche.2024.113548

Sawini , Kulwinder Singh , Abhishek Kumar , Deepak Kumar , Ankit Kumar , Ashish Kumar , Sanjoy Kr Mahatha , Seepana Praveenkumar

Recently, the layered metal dichalcogenides (LMDs) such as tin disulfide (SnS₂) has engrossed significant attention because of their n-type semiconducting tunable properties. A hydrothermal method was employed for the synthesis of SnS₂ nanostructures by varying reaction temperatures i.e. 160, 170 and 180 °C. To determine the crystallographic, micro-structural, morphological, elemental compositions, thermal and optical properties of the prepared samples, various characterizations such as XRD, Raman spectroscopy, FTIR, FESEM, EDS XPS, TGA, PL and UV spectroscopy were employed. The structural analysis revealed the hexagonal phase formation of prepared SnS₂ nanostructures with space group symmetry of P6₃mc (layer group no.: 186) in all the prepared samples. The sample prepared at 160 °C also exhibit orthorhombic crystal phase of SnS along with SnS₂ crystal phase. The intensity of diffraction peaks increased with rise in growth temperature which infers the crystallinity improvement and crystallite size growth. Raman and FTIR spectroscopy also confirm the formation of SnS₂ phase in synthesized samples. FESEM analysis showed the development of hexagonal shaped nanostructures for all the prepared samples. Elemental analysis showed the improvement of stoichiometry of SnS₂ with increase in reaction temperature. XPS results inferred the existence of Sn and S with +4 and −2 energy states respectively, confirmed the formation of SnS₂. The optical property analysis shows the emission in visible region. Furthermore, the band gap values get decreased i.e. 2.42 eV–2.34 eV with increase in growth temperature. Also, the refractive index of the synthesized samples was determined by various empirical models. The improvement of linear optical susceptibility (χ⁽¹⁾), nonlinear refractive index (n₂) and nonlinear optical susceptibility (χ⁽³⁾) suggest the usefulness of synthesized nanostructures in optical and photonic applications. Engineering of different properties of SnS₂ nanostructures with reaction temperatures suggests the potential usage of these nanostructures for optoelectronic applications.

最近，二硫化锡（SnS2）等层状金属二钙化物（LMDs）因其 n 型半导体可调特性而备受关注。在合成 SnS2 纳米结构时，采用了水热法，并改变了反应温度，即 160、170 和 180 °C。为了确定所制备样品的晶体学、微观结构、形态、元素组成、热学和光学特性，采用了各种表征方法，如 XRD、拉曼光谱、傅立叶变换红外光谱、FESEM、EDS XPS、TGA、PL 和紫外光谱。结构分析表明，所有制备的样品都形成了六方相的 SnS2 纳米结构，空间群对称性为 P63mc（层群编号：186）。在 160 ℃ 下制备的样品也显示出 SnS 的正方晶相和 SnS2 晶相。衍射峰的强度随着生长温度的升高而增加，这表明结晶度得到改善，晶粒尺寸增大。拉曼光谱和傅立叶变换红外光谱也证实了合成样品中 SnS2 相的形成。FESEM 分析表明，所有制备的样品都形成了六角形的纳米结构。元素分析表明，随着反应温度的升高，SnS2 的化学计量有所提高。XPS 结果推断出 Sn 和 S 分别以 +4 和 -2 的能态存在，证实了 SnS2 的形成。光学特性分析表明，SnS2 在可见光区域发光。此外，带隙值随着生长温度的升高而减小，即 2.42 eV-2.34 eV。合成样品的折射率也是通过各种经验模型确定的。线性光学感度（χ(1)）、非线性折射率（n2）和非线性光学感度（χ(3)）的提高表明，合成的纳米结构在光学和光子应用中非常有用。随着反应温度的变化，SnS2 纳米结构的不同特性也会发生变化，这表明这些纳米结构具有光电应用的潜力。

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引用次数: 0

Recent advancements in the plant-based synthesis and mechanistic insights of noble metal nanoparticles and their therapeutic applications 贵金属纳米粒子的植物合成、机理研究及其治疗应用的最新进展

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-19 DOI: 10.1016/j.inoche.2024.113594

Tahmeena Khan , Saman Raza , Kulsum Hashmi , Abdul Rahman Khan

Today nanotechnology is considered the most promising field in science, with much research dedicated to synthesising novel nanoparticles (NPs) with unique properties and their application in various fields of life. Particularly, the use of NPs in medicine is extremely important as it has revolutionized medicinal chemistry, providing advanced treatment options for various diseases. The synthesis of NPs by conventional methods however poses environmental risks and hence, the biogenic synthesis to produce plant-based nanoparticles is proving to be quite useful. Metal based NPs have known therapeutic activity as antibacterial, antifungal, antioxidant and anticancer agents etc. They cause apoptosis and generate reactive oxygen species (ROS). Furthermore, they are also implemented in surgical implants and bone cements etc. Noble metals like Ag, Au, Pt and Pd are valued for their therapeutic properties which have been documented over centuries. The review explores recent developments in the plant-based synthesis of NPs of noble metals and their therapeutic applications and elucidation of the molecular mechanism of the biogenic synthesis which is required to obtain nanoparticles with controlled morphological features and would help in the facile synthesis enabling biotransformation.

如今，纳米技术被认为是最有前途的科学领域，许多研究都致力于合成具有独特性质的新型纳米粒子（NPs），并将其应用于生活的各个领域。尤其是 NPs 在医学中的应用极为重要，因为它彻底改变了药物化学，为各种疾病提供了先进的治疗方案。然而，用传统方法合成 NPs 会对环境造成危害，因此，用生物合成法生产植物基纳米粒子被证明是非常有用的。已知金属基纳米粒子具有抗菌、抗真菌、抗氧化和抗癌等治疗活性。它们会导致细胞凋亡并产生活性氧（ROS）。此外，它们还可用于外科植入物和骨水泥等。Ag、Au、Pt 和 Pd 等贵金属因其治疗特性而备受重视，几个世纪以来，这些特性已被记录在案。本综述探讨了基于植物合成贵金属 NPs 及其治疗应用的最新进展，并阐明了生物合成的分子机制，这是获得具有可控形态特征的纳米粒子所必需的，有助于实现生物转化的简便合成。

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引用次数: 0

Synthesis, crystal structure and fluorescent properties of a novel europium tetracarboxylate 新型四羧酸铕的合成、晶体结构和荧光特性

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2024-11-19 DOI: 10.1016/j.inoche.2024.113582

Chao-Yue Li , Hao Yu , Xin-Yu He, Ze-Fei Yu, Xiuling Xu, Haihong Huang, Si-Fu Tang

Lanthanide organic frameworks (LnOFs) are promising optical materials. The design and synthesis of new LnOFs with novel crystal structure and fluorescent properties are highly desirable. In this work, one new Europium(III) carboxylate, namely, [Eu(HTTCA)(H₂O)₂]·2H₂O (TTCA-Eu), has been successfully synthesized from a tetracarboxylate ligand, H₄TTCA = [1,1′:2′,1″-terphenyl]-4,4′,4″,5-tetracarboxylic acid. It is revealed that TTCA-Eu possesses a three-dimensional crystal structure with rhombus channel about 7.46 × 21.26 Å² running along c-direction. TTCA-Eu displays typical Eu(III) emissions in the red region and shows a fluorescence quenching response toward dinotefuran. It can be used as fluorescence sensor of dinotefuran in the range of 0–30 μM with high selectivity, signifying its potential application as dinotefuran sensor.

镧系元素有机框架（LnOFs）是一种前景广阔的光学材料。设计和合成具有新颖晶体结构和荧光特性的新型 LnOFs 非常有必要。在这项工作中，成功地从四羧酸配体 H4TTCA = [1,1′:2′,1″-三联苯]-4,4′,4″,5-四羧酸合成了一种新的铕（III）羧酸盐，即 [Eu(HTTCA)(H2O)2]-2H2O（TTCA-Eu）。研究发现，TTCA-Eu 具有三维晶体结构，沿 c 轴方向具有约 7.46 × 21.26 Å2 的菱形通道。TTCA-Eu 在红色区域显示出典型的 Eu（III）发射，并对二硝基呋喃有荧光淬灭反应。它可用作 0-30 μM 范围内的第诺特呋喃荧光传感器，并具有很高的选择性，这标志着它作为第诺特呋喃传感器的潜在应用前景。

引用次数: 0