Chemistry of Inorganic Materials最新文献_第3页

Synergistic effects of gadolinium oxide into the matrix of zeolitic imidazolate frameworks (ZIFs) for supercapacitor applications 将氧化钆加入沸石咪唑酸盐框架（ZIF）基质以实现超级电容器应用的协同效应

Chemistry of Inorganic Materials

Pub Date : 2024-11-10 DOI: 10.1016/j.cinorg.2024.100075

Imosobomeh L. Ikhioya , Nawal Alghamdi , Stanley Ebubechukwu Omeje , David Chibiuke Ikeh , Ruth Ngozi Odoh

In this study, we synthesized ZIF-8, ZIF-67, Gd₀.₀₁/ZIF-8, & Gd₀.₀₁/ZIF-67 electrodes using the direct combination technique. Both electrodes are being used for energy storage devices. We extensively evaluated these nanocomposites using a variety of electrochemical methods, including retention analysis, galvanostatic charge-discharge (GCD), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). ZIF-8 exhibits a wide band gap of approximately 2.58 eV, suggesting its main absorption is of UV light. The peaks in the absorbance spectrum vary slightly in wavelength due to the presence of different metal centers. Peaks between 1400 and 1600 cm⁻¹ indicate C–N stretching vibrations from the imidazolate linkers. Peaks between 1600 and 1700 cm⁻¹ are associated with CC stretching vibrations. ZIF-8 exhibits well-defined peaks in its XRD pattern, indicating a high level of crystallinity. Peaks can be observed at specific 2θ values, typically at 22.09°, 26.62°, 38.49°, and 47.27°, which correspond to the (110), (200), (211), and (220) planes. The calculated specific capacitances for ZIF-8 and ZIF-67 are 223.95 and 255.20 F/g. For Gd_0.01/ZIF-8, & Gd_0.01/ZIF-67 specific capacitances are 575.00 and 587.50 F/g. The ZIF-8, ZIF-67, Gd_0.01/ZIF-8, & Gd_0.01/ZIF-67 electrodes exhibited specific capacitances of (78.30, 192.59, 342.57, and 1164) F/g at current densities of 1 A/g from the GCD calculation. The retention plot of ZIF-8, ZIF-67, Gd_0.01/ZIF-8, & Gd_0.01/ZIF-67 electrode shows efficiency of 71 %, 71 %, 105 % and 75 %, respectively, indicating their suitability for supercapacitor applications.

在这项研究中，我们采用直接组合技术合成了 ZIF-8、ZIF-67、Gd₀.₀₁/ZIF-8 和amp；Gd₀.₀₁/ZIF-67 电极。这两种电极都被用于储能设备。我们采用多种电化学方法对这些纳米复合材料进行了广泛评估，包括保留分析、电静态充放电（GCD）、循环伏安法（CV）和电化学阻抗谱（EIS）。ZIF-8 具有约 2.58 eV 的宽带隙，表明其主要吸收紫外线。由于存在不同的金属中心，吸光光谱中的峰值在波长上略有不同。1400 和 1600 cm-1 之间的峰值表示咪唑链节的 C-N 伸展振动。1600 和 1700 cm-1 之间的峰值与 CC 伸缩振动有关。ZIF-8 的 X 射线衍射图显示出清晰的峰值，表明其结晶度很高。在特定的 2θ 值上可以观察到峰值，通常位于 22.09°、26.62°、38.49° 和 47.27°，分别对应于 (110)、(200)、(211) 和 (220) 平面。计算得出的 ZIF-8 和 ZIF-67 的比电容分别为 223.95 和 255.20 F/g。Gd0.01/ZIF-8 和 Gd0.01/ZIF-67 的比电容分别为 575.00 和 587.50 F/g。根据 GCD 计算，在电流密度为 1 A/g 时，ZIF-8、ZIF-67、Gd0.01/ZIF-8 和 Gd0.01/ZIF-67 电极的比电容分别为（78.30、192.59、342.57 和 1164）F/g。ZIF-8、ZIF-67、Gd0.01/ZIF-8、& Gd0.01/ZIF-67电极的保留图显示效率分别为71%、71%、105%和75%，表明它们适合超级电容器应用。

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引用次数: 0

Mineral composition of Aegle marmelos (L.) corrêa ash: Exploration of its ability to mimic the function of different metalloenzymes Aegle marmelos (L.) corrêa 灰的矿物成分：探索其模拟不同金属酶功能的能力

Chemistry of Inorganic Materials

Pub Date : 2024-11-09 DOI: 10.1016/j.cinorg.2024.100074

Kousik Ghosh , K. Vamsee Krishna , T. Vinodkumar , T. Dinesh , R. Balakumar , S. Chitra

The motivation to find functional models of different metalloenzymes comes from their potential to develop better catalysts inspired by nature. Generally, metalloenzymes can activate aerial dioxygen due to the metal ions in it. Amongst the numerous metalloenzymes, catechol oxidase, and phenoxazinone synthase are the two most discussed metalloenzymes that are of interest to the research community for their ability to oxidize small organic substrates in an eco-friendly way. In this research work, Aegle marmelos (L.) Corrêa (a plant Indigenous to India) ash has been prepared as per the method mentioned in the Ayurvedic Pharmacopoeia of India (API). The ash's mineral composition has been evaluated using Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES). The ability of Aegle marmelos (L.) Corrêa ash to mimic the function of catechol oxidase, and phenoxazinone synthase-like metalloenzymes have been explored. The results of this study confirm that Aegle marmelos (L.) Corrêa ash can as a catalyst for promoting the aerobic oxidation of the organic substrates 3,5-di-tert-butylcatechol (3,5-DTBC) and o-aminophenol (OAPH) to their corresponding chromophores, which are the functions of catechol oxidase and phenoxazinone synthase metalloenzymes respectively. The average values of V_max and K_M-like kinetic parameters for catechol oxidase mimicking activity of ash are (3.4826 ± 0.0896) x 10⁻⁵ M S⁻¹ and (512.9146 ± 13.7268) x 10⁻⁵ M, respectively. Similarly, the average values of V_max and K_M-like kinetic parameters for phenoxazinone synthase mimicking activity of ash are (1.8871 ± 0.0461) x 10⁻⁵ M S⁻¹ and (1823.0084 ± 25.3384) x 10⁻⁵ M, respectively.

寻找不同金属酶功能模型的动机来自于它们从大自然中汲取灵感，开发出更好催化剂的潜力。一般来说，金属酶中的金属离子可以激活空气中的二氧。在众多的金属酶中，儿茶酚氧化酶和苯并噁嗪酮合酶是讨论最多的两种金属酶，它们能够以环保的方式氧化小型有机底物，因此备受研究界关注。在这项研究工作中，按照《印度阿育吠陀药典》（Ayurvedic Pharmacopoeia of India，API）中提到的方法制备了 Aegle marmelos (L.) Corrêa（一种印度本土植物）灰烬。使用电感耦合等离子体光学发射光谱（ICP-OES）对灰烬的矿物成分进行了评估。研究还探讨了 Aegle marmelos (L.) Corrêa 草木灰模拟儿茶酚氧化酶和苯并噁嗪酮合成酶类金属酶功能的能力。研究结果证实，Aegle marmelos (L.) Corrêa 草木灰可作为催化剂，促进有机底物 3,5- 二叔丁基邻苯二酚（3,5-DTBC）和邻氨基苯酚（OAPH）有氧氧化成相应的发色团，这两种底物分别具有儿茶酚氧化酶和吩嗪酮合成酶金属酶的功能。草木灰儿茶酚氧化酶模拟活性的 Vmax 和 KM 样动力学参数平均值分别为 (3.4826 ± 0.0896) x 10-5 M S-1 和 (512.9146 ± 13.7268) x 10-5 M。同样，草木灰模拟苯并噁嗪酮合成酶活性的 Vmax 和 KM 样动力学参数平均值分别为 (1.8871 ± 0.0461) x 10-5 M S-1 和 (1823.0084 ± 25.3384) x 10-5 M。

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引用次数: 0

Advances and challenges in inorganic lithium solid electrolytes 无机锂固体电解质的进展与挑战

Chemistry of Inorganic Materials

Pub Date : 2024-11-08 DOI: 10.1016/j.cinorg.2024.100078

Zhong Zheng , Hong Zhao , Ruth Knibbe , Masashi Kotobuki , Xiaoyi Zhu , Li Lu , Lixian Sun , Zongwen Liu

Lithium-ion battery (LIB) is the most widely used secondary battery and has been extensively studied in the past few decades due to its many advantages compared to other secondary batteries, such as higher energy density and better cycling performance. Considering the potential risks of environmental pollution and fire hazard induced by leakage or overheating of conventional electrolytes composed of flammable organic solvent-dissolving Li salts, non-flammable solid electrolytes (SEs), especially ceramic electrolytes with different structural types have been developed to improve the safety performance of LIBs. As the properties of SEs significantly depend on the microstructure, this review systemically summarized the recent progress in inorganic solid electrolytes based on the classification of microstructure and presented the relevant discussion in detail, including the microstructures, the mechanisms of Li ionic migration and performance optimization. Additionally, several challenges for realizing industrial application of SEs, such as lower ionic conductivities compared to liquid electrolytes and unsatisfactory stability in ambient atmosphere were mentioned. To effectively boost the development of SEs, more advanced transmission electron microscopy and atom probe tomography should be considered to deeply investigate the relationship between microstructure and properties in the future.

锂离子电池（Lithium-ion battery，LIB）是应用最广泛的二次电池，与其他二次电池相比，LIB 具有能量密度更高、循环性能更好等诸多优势，因此在过去几十年中得到了广泛的研究。考虑到由可燃有机溶剂溶解锂盐组成的传统电解质存在泄漏或过热引起环境污染和火灾的潜在风险，人们开发了不可燃固体电解质（SE），特别是具有不同结构类型的陶瓷电解质，以提高 LIB 的安全性能。由于固体电解质的性能很大程度上取决于其微观结构，本综述根据微观结构的分类，系统地总结了无机固体电解质的最新进展，并详细介绍了相关讨论，包括微观结构、锂离子迁移机制和性能优化。此外，还提到了实现无机固态电解质工业应用所面临的几个挑战，如与液态电解质相比离子电导率较低、在环境气氛中的稳定性不理想等。为有效促进 SEs 的发展，未来应考虑采用更先进的透射电子显微镜和原子探针断层扫描技术来深入研究微观结构与性能之间的关系。

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引用次数: 0

Green-Fueled synthesis of rGO/CuO for catalytic degradation of methyl violet dye 绿色燃料合成 rGO/CuO 催化降解甲基紫染料

Chemistry of Inorganic Materials

Pub Date : 2024-11-07 DOI: 10.1016/j.cinorg.2024.100077

M.C. Roopa , Sharadadevi Kallimani , K. Harish Kumar , S. Thirumala

This study presents the green synthesis of copper oxide (CuO) through an eco-friendly solution combustion method, utilizing lemongrass as a natural fuel source. The rGO/CuO composite was prepared via a simple reflux process, emphasizing environmental sustainability. Comprehensive characterization of the synthesized CuO and rGO/CuO composites was conducted using techniques such as XRD, SEM, FTIR, PL, HR-TEM, EDX, and UV–Vis's spectroscopy. The photocatalytic efficiency of the rGO/CuO composite was tested for the degradation of Methyl Violet (MV) dye, achieving an impressive degradation rate of 98.87 % and following first-order kinetic behavior. The half-life (t₁_/₂) of the reaction was calculated to be 18.17 min, with a rate constant (k) of 0.0398 min⁻¹. Various parameters affecting photocatalytic performance, including pH, dye concentration, light source, and catalyst dosage, were systematically investigated. Scavenger experiments were conducted to determine the active species involved in the degradation process, and total organic carbon (TOC) removal was measured to assess mineralization efficiency. The catalyst's reusability was also evaluated, confirming its potential for long-term use in sustainable environmental remediation applications.

本研究介绍了利用柠檬草作为天然燃料源，通过生态友好型溶液燃烧法合成氧化铜（CuO）的绿色方法。rGO/CuO 复合材料是通过简单的回流工艺制备的，强调了环境的可持续性。利用 XRD、SEM、FTIR、PL、HR-TEM、EDX 和 UV-Vis 光谱等技术对合成的 CuO 和 rGO/CuO 复合材料进行了综合表征。测试了 rGO/CuO 复合材料降解甲基紫（MV）染料的光催化效率，降解率高达 98.87%，并遵循一阶动力学行为。经计算，反应的半衰期（t₁/₂）为 18.17 分钟，速率常数（k）为 0.0398 分钟-1。系统研究了影响光催化性能的各种参数，包括 pH 值、染料浓度、光源和催化剂用量。通过清道夫实验确定了参与降解过程的活性物种，并测量了总有机碳（TOC）的去除率，以评估矿化效率。此外，还对催化剂的可重复使用性进行了评估，从而证实了其在可持续环境修复应用中长期使用的潜力。

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引用次数: 0

Nickel-doped zinc tartrate (Ni@ZnT) nanocrystals: Synthesis, optical properties, and antimicrobial activity 掺镍酒石酸锌（Ni@ZnT）纳米晶体：合成、光学特性和抗菌活性

Chemistry of Inorganic Materials

Pub Date : 2024-10-29 DOI: 10.1016/j.cinorg.2024.100073

Charushila Pawar , Madhuri Patil

This work used the sol-gel method to synthesize nickel-doped zinc tartrate nanocrystals (Ni@ZnT NCs) to study their optical properties and antimicrobial activities. Using the Scanning electron microscopy study, these NCs show irregular-shaped morphology. Their crystalline nature and average crystalline size of 45 nm were studied by X-ray diffraction. Using an Energy-Dispersive X-ray confirmed the presence of zinc (Zn), nickel (Ni), carbon (C), hydrogen (H), and oxygen (O) elements. FTIR analysis was used to identify several functional groups like O–H stretching (3461.6 cm⁻¹), CO stretching mode (2367.55 cm⁻¹), and stretching vibrations of Ni–Zn–O (below 800 cm⁻¹). The thermal stability was confirmed by thermogravimetric analysis. UV–Vis spectroscopy studied the optical properties; an absorption peak represents the Zn–Ni transition at about 336 nm and a band gap of 3.86 eV and was also used to calculate the refractive index and extinction coefficient at 280 nm. For ZnT and Ni@ZnT NCs, the maximum absorption λ was found to be 295 nm and 278 nm. The antibacterial activity of ZnT and Ni@ZnT NCs was evaluated against Bacillus subtilis and Escherichia coli; for these strains, the NCs (15.3 mm and 15.6 mm) showed a somewhat larger zone of inhibition than ZnT (13.6 mm and 12.3 mm). The study also evaluated the antifungal activity of these materials against some fungal strains, such as Penicillium chrysogenum, Aspergillus niger, Candida albicans, and Fusarium spp, the zone of inhibition varied from 12 to 13.6 mm, and there was a significant difference between the two materials. Therefore, this work successfully synthesized Ni@ZnT NCs and studied their optical properties and antimicrobial activity.

本研究采用溶胶-凝胶法合成了掺杂镍的酒石酸锌纳米晶体（Ni@ZnT NCs），以研究其光学性质和抗菌活性。通过扫描电子显微镜研究，这些 NCs 呈现出不规则的形态。通过 X 射线衍射研究了它们的结晶性质和 45 纳米的平均结晶尺寸。利用能量色散 X 射线确认了锌 (Zn)、镍 (Ni)、碳 (C)、氢 (H) 和氧 (O) 元素的存在。傅立叶变换红外光谱分析确定了几个官能团，如 O-H 伸展（3461.6 cm-1）、CO 伸展模式（2367.55 cm-1）和 Ni-Zn-O 伸展振动（低于 800 cm-1）。热重分析证实了其热稳定性。紫外可见光谱法研究了其光学特性；吸收峰代表 Zn-Ni 转变，波长约为 336 nm，带隙为 3.86 eV，该光谱法还用于计算 280 nm 波长处的折射率和消光系数。对于 ZnT 和 Ni@ZnT NCs，最大吸收λ分别为 295 纳米和 278 纳米。研究评估了 ZnT 和 Ni@ZnT NCs 对枯草杆菌和大肠杆菌的抗菌活性；对于这些菌株，NCs（15.3 毫米和 15.6 毫米）比 ZnT（13.6 毫米和 12.3 毫米）显示出更大的抑菌区。研究还评估了这些材料对一些真菌菌株（如金青霉、黑曲霉、白色念珠菌和镰刀菌）的抗真菌活性，抑制区在 12 至 13.6 毫米之间，两种材料之间存在显著差异。因此，本研究成功合成了 Ni@ZnT NCs，并对其光学性质和抗菌活性进行了研究。

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引用次数: 0

Review on bioengineering of metal sulphide nanoparticles using plant extracts 利用植物提取物进行金属硫化物纳米颗粒生物工程研究综述

Chemistry of Inorganic Materials

Pub Date : 2024-10-24 DOI: 10.1016/j.cinorg.2024.100072

Nandipha Botha , Nolubabalo Matinise

Nanoparticles have found a special place in research due to their various properties. They have been studied and investigated in most applications such as: Agriculture, Medical, Catalysis, electronics to name a few. Different Methods such as Chemical synthesis, which is divided into bottom up and top-down approaches, and physical Synthesis have been employed to yield nanomaterials with different structural and optical properties. Currently a new method has been developed as a green synthesis method of nanomaterials. Green synthesis is the method in which fewer toxic chemicals are employed; Water is used as a universal solvent and the synthesis is based on natural systems. Green synthesis has been used in the last decade to synthesize mostly metallic and metal Oxides nanoparticles however not much has been done on the green synthesis of metal sulphides nanoparticles. This review looks at what has been done in the green synthesis of metal sulphides such as Zinc, Iron, Copper, Silver, Lead, and Cadmium sulphides, in attempt to highlight what still needs to be done. This paper also look at the potential applications of these green synthesized metal sulfides.

纳米粒子因其各种特性而在研究领域占有特殊地位。在大多数应用领域，如农业、医疗、催化、电子等，都对纳米粒子进行了研究和调查：农业、医疗、催化、电子等等。人们采用了不同的方法，如化学合成（分为自下而上和自上而下的方法）和物理合成，以获得具有不同结构和光学特性的纳米材料。目前已开发出一种新的纳米材料绿色合成方法。绿色合成是一种使用较少有毒化学物质的方法；水被用作通用溶剂，合成以自然系统为基础。在过去十年中，绿色合成主要用于合成金属和金属氧化物纳米粒子，但在金属硫化物纳米粒子的绿色合成方面却鲜有研究。本综述探讨了在锌、铁、铜、银、铅和镉等金属硫化物的绿色合成方面已经完成的工作，并试图强调仍需完成的工作。本文还探讨了这些绿色合成金属硫化物的潜在应用。

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引用次数: 0

Eco-friendly synthesis and characterization of silver nanoparticles from an endemic plant and their antibacterial potency - A sustainable approach 一种地方性植物银纳米粒子的生态友好合成和表征及其抗菌效力--一种可持续的方法

Chemistry of Inorganic Materials

Pub Date : 2024-09-28 DOI: 10.1016/j.cinorg.2024.100070

R. Rajalakshmi , N. Mukesh Babu , A. Doss , R.P. Praveen Pole , T.P. Kumari Pushpa Rani , V. Mary Kensa

The biomass-assisted fabrication of green nanoparticles is in rise in recent years as it ensures environment compatibility and economically smartness. Now-a-days, the scientific world utilizing the abundantly available plant biomass to synthesize nanoparticles. The present study attempted the biofabrication of silver nanoparticles (Ag NPs) from the silver salt (silver nitrate) using the leaf extract from the plant, Jatropha maheshwarii. The functional groups attached, morphological features and the other qualities of J. maheshwarii mediated Ag NPs was done using the characterization techniques (spectroscopic and micrographic) like Fourier Transform Infra Red spectroscopy (FTIR), X-Ray Diffraction analysis (XRD), Energy Dispersive X-ray Analysis (EDXA), Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). These analyses showed that the nanoparticles are spherical and flakes in shape and the XRD results indicated an average particle size of 25.98 nm. These nanoparticles were employed as an antibacterial agent on different bacteria such as Staphylococcus aureus, Bacillus thuringiensis, Escherichia coli, Pseudomonas aeruginosa and Salmonella typhi. The significant antibacterial activity exhibited against S. typhi (19 mm) at a concentration of 100 μg/ml. Furthermore, the mode of action of these bio-synthesized silver nanoparticles as an antibacterial agent was screened by the amount of reducing sugars and proteins leaked from the bacterial cells under study after treating with nanoparticles (leakage assay). These findings encourage the future development of these green nanoparticles as potential antibacterial drugs.

近年来，生物质辅助制造绿色纳米粒子的技术日益兴起，因为这种技术既能确保环境相容性，又具有经济效益。如今，科学界正在利用丰富的植物生物质来合成纳米粒子。本研究尝试利用麻风树叶提取物从银盐（硝酸银）中生物制造银纳米粒子（Ag NPs）。利用傅立叶变换红外光谱（FTIR）、X 射线衍射分析（XRD）、能量色散 X 射线分析（EDXA）、扫描电子显微镜（SEM）和原子力显微镜（AFM）等表征技术（光谱和显微摄影）对麻风树萃取物介导的银纳米粒子的附着官能团、形态特征和其他质量进行了分析。这些分析表明，纳米颗粒呈球形和片状，X 射线衍射结果表明其平均粒径为 25.98 纳米。这些纳米粒子被用作不同细菌的抗菌剂，如金黄色葡萄球菌、苏云金芽孢杆菌、大肠杆菌、绿脓杆菌和伤寒沙门氏菌。当浓度为 100 μg/ml 时，对伤寒杆菌的抗菌活性为 19 mm。此外，这些生物合成的银纳米粒子作为抗菌剂的作用模式是通过纳米粒子处理细菌细胞后从细菌细胞中渗出的还原糖和蛋白质的数量（渗漏测定）来筛选的。这些发现鼓励了未来将这些绿色纳米粒子作为潜在抗菌药物进行开发。

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引用次数: 0

Optimizing lead-free CH3NH3SnI3 perovskite solar cells by using SCAPS-1D software 利用 SCAPS-1D 软件优化无铅 CH3NH3SnI3 包晶太阳能电池

Chemistry of Inorganic Materials

Pub Date : 2024-09-24 DOI: 10.1016/j.cinorg.2024.100069

Md Nahiduzzaman Nahid , Md Salman Shah , Hayati Mamur , Rakib Hosen , Mohammad Ruhul Amin Bhuiyan

The lead-free CH₃NH₃SnI₃ perovskite is essential for absorbing light in perovskite solar cells (PSCs). In a photovoltaic (PV) device setup of FTO/STO/CH₃NH₃SnI₃/Spiro-OMeTAD/Au, it demonstrates excellent PV performance. This device includes sulfur-doped tin oxide (STO) for the layer of electron transport (ETL), CH₃NH₃SnI₃ as the absorber, and the hole transport layer (HTL) is Spiro-OMeTAD. The upper and back contacts consist of fluorine-doped tin oxide (FTO) and gold (Au), connecting these layers. Several parameters were estimated using the Solar Cell Capacitance Simulator (SCAPS-1D) program, including the thickness, acceptor and donor densities, series and shunt resistances, and temperature. The absorber, HTL, ETL, and FTO thicknesses were set at 1000 nm, 100 nm, 150 nm, and 50 nm, respectively, to find the perfect configuration. Densities of acceptors and donors were maintained at 10¹⁹ cm⁻³, 2.0 × 10¹⁹ cm⁻³, 2.0 × 10¹⁸ cm⁻³, and 10¹⁸ cm⁻³ for the absorber, HTL, ETL, and FTO, respectively, at an operating temperature of 300K. The device configuration exhibited reduced series resistance and increased shunt resistance, optimized with a back contact metal of Au. The idealized model demonstrated significant PV execution characteristics, including 1.117 V for open-circuit voltage (V_OC), 28.88 mA/cm² for short-circuit current density (J_SC), 88.47 % for fill factor (FF), and 28.55 % for power conversion efficiency (PCE) under the AM1.5G spectrum. Additionally, the device displayed an average quantum efficiency (QE) of approximately 88.30 % at visible light wavelengths.

无铅 CH3NH3SnI3 包晶体是包晶体太阳能电池（PSC）吸收光线的关键。在 FTO/STO/CH3NH3SnI3/Spiro-OMeTAD/Au 的光伏（PV）器件设置中，它表现出了卓越的光伏性能。该器件的电子传输层（ETL）为掺硫氧化锡（STO），吸收层为 CH3NH3SnI3，空穴传输层（HTL）为螺烯-OMeTAD。上触点和背触点由掺氟氧化锡（FTO）和金（Au）组成，连接这些层。使用太阳能电池电容模拟器（SCAPS-1D）程序估算了几个参数，包括厚度、受体和供体密度、串联和并联电阻以及温度。吸收体、HTL、ETL 和 FTO 的厚度分别设定为 1000 nm、100 nm、150 nm 和 50 nm，以找到最佳配置。在 300K 工作温度下，吸收体、HTL、ETL 和 FTO 的受体和供体密度分别保持在 1019 cm-3、2.0 × 1019 cm-3、2.0 × 1018 cm-3 和 1018 cm-3。该器件配置显示出串联电阻减小、并联电阻增大的特点，并通过背面接触金属金进行了优化。理想化模型显示了显著的光伏执行特性，包括在 AM1.5G 频谱下开路电压 (VOC) 为 1.117 V、短路电流密度 (JSC) 为 28.88 mA/cm2、填充因子 (FF) 为 88.47 %、功率转换效率 (PCE) 为 28.55 %。此外，该器件在可见光波长下的平均量子效率（QE）约为 88.30%。

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引用次数: 0

A systematic analysis of binary blend cement concrete infused with lime sludge and fly ash 对掺入石灰渣和粉煤灰的二元混合水泥混凝土的系统分析

Chemistry of Inorganic Materials

Pub Date : 2024-09-23 DOI: 10.1016/j.cinorg.2024.100065

V.V. Praveen Kumar , Subhashish Dey , Ganugula Taraka Naga Veerendra , Akula Venkata Phani Manoj , Siva Shanmukha Anjaneya Babu Padavala

Lime sludge is a residual substance came from the paper sector. The current research investigates that the effects of adding lime sludge to concrete as a cementitious substance on its mechanical properties. Lime sludge replaces cement in various amounts to provide the appropriate mechanical properties. The resulting material is then compared to standard concrete. The research on supplemental cementation resources that equivalent Portland cements's potency without compromising stability. According to the Indian standard (IS 10262–2009), the study used M20, M30, and M40 concrete. Lime sludge replaced cement 0 %, 10 %, 20 %, and 30 %. Also investigated were lime sludge and fly ash mixtures of 10 %, 20 %, and 30 % by weight. Mechanical parameters of concrete classes M20, M30, and M40 were measured at 7 and 28 days. The grades show that the 10 % lime sludge out performed normal concrete. This work represents can be applied as unique additional cementitious substance up to the definite proportions.

石灰污泥是造纸行业的一种残留物质。目前的研究调查了在混凝土中添加石灰污泥作为胶凝物质对其机械性能的影响。石灰污泥以不同的用量替代水泥，以提供适当的机械性能。然后将所得材料与标准混凝土进行比较。对补充胶凝资源的研究表明，等效波特兰水泥的效力不会影响稳定性。根据印度标准（IS 10262-2009），研究使用了 M20、M30 和 M40 混凝土。石灰污泥取代水泥的比例分别为 0%、10%、20% 和 30%。此外，还研究了石灰污泥和粉煤灰的混合物，重量百分比分别为 10%、20% 和 30%。在 7 天和 28 天时测量了 M20、M30 和 M40 级混凝土的力学参数。结果表明，10% 的石灰污泥比普通混凝土性能更好。这项研究表明，石灰污泥可以作为独特的额外胶凝物质应用到特定比例的混凝土中。

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引用次数: 0

Synthesis and characterization of zinc cobalt sulphide nanofilms for optoelectronic applications 用于光电应用的硫化锌钴纳米薄膜的合成与表征

Chemistry of Inorganic Materials

Pub Date : 2024-09-19 DOI: 10.1016/j.cinorg.2024.100068

Joseph Onyeka Emegha , Kenneth Onyenike , Rita Omamuyovwi Jolayemi , Chioma Adaku Ejelonu , Frank Efe , Odunayo Tope Ojo

Zinc-cobalt sulphide (

{Zn}_{x} {Co}_{1 - x} S

) thin films were fabricated on glass substrates using the chemical bath deposition (CBD) technique. In this study, the films were grown employing solutions of zinc acetate, cobalt sulphate, and thioacetamide as the respective sources of zinc, cobalt, and sulphur. The synthesized films were investigated for their potential use in optoelectronic device applications. Optical characterization revealed that the films exhibited a direct transition with an energy gap ranging from 3.350 to 3.360 eV. As the zinc concentrations were changing, the absorbance of the films were decreasing uniformly along the wavelength spectra. The films exhibit a low extinction coefficient (0.0–0.23) that may be due to the internal reflections within the material as concentrations changes. Variations in the thickness, reflectance and refractive index with zinc concentrations were also discussed. The electrical resistivity was found to decrease from

7.12 \times 10^{8}

to

5.94 \times 10^{8}

(Ω.cm) with zinc concentrations. According to the crystallography spectrum,

{Zn}_{x} {Co}_{1 - x} S

has a polycrystalline structure with various distinct peaks at different orientations. Scanning electron microscopy shows that surface morphology of

{Zn}_{x} {Co}_{1 - x} S

films has a well-defined nanoparticles of different shapes and sizes which are uniformly distributed and are significantly transformed as a function of concentrations. The results demonstrate that the chemically deposited thin films can be engineered for a range of optoelectronic applications.

利用化学沉积（CBD）技术在玻璃基底上制造了硫化锌钴（ZnxCo1-xS）薄膜。本研究采用醋酸锌、硫酸钴和硫代乙酰胺溶液分别作为锌、钴和硫的来源来生长薄膜。研究了合成薄膜在光电设备应用中的潜在用途。光学表征显示，薄膜表现出直接过渡，能隙在 3.350 至 3.360 eV 之间。随着锌浓度的变化，薄膜的吸光度沿波长光谱均匀下降。薄膜显示出较低的消光系数（0.0-0.23），这可能是由于浓度变化时材料内部的反射造成的。此外，还讨论了厚度、反射率和折射率随锌浓度的变化。随着锌浓度的增加，电阻率从 7.12×108 降至 5.94×108（Ω.cm）。根据晶体学光谱，ZnxCo1-xS 具有多晶结构，在不同取向上有各种不同的峰值。扫描电子显微镜显示，ZnxCo1-xS 薄膜的表面形态具有不同形状和大小的清晰纳米颗粒，这些颗粒分布均匀，并随着浓度的变化而发生显著变化。研究结果表明，化学沉积薄膜可用于一系列光电应用。

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引用次数: 0