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Synthesis, structural characterization, water ad-/de-sorption isotherm, and CO2 uptakes of a 2D Cu(I) metal organic framework with 1,3,5-tris(4-pyridylethynyl)benzene (L) and Tricyanomethanide (tcm−) ligands 含 1,3,5-三(4-吡啶乙炔基)苯 (L) 和三氰基甲烷 (tcm-) 配体的二维 Cu(I)金属有机框架的合成、结构表征、水吸附/脱附等温线和二氧化碳吸收率
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-28 DOI: 10.1002/jccs.202400268
Chih-Chieh Wang, Yu-Ching Wu, Yu-Chen Chung, En-Che Yang, Gene-Hsiang Lee, Su-Ying Chien, Po-Ya Chang, Hwo-Shuenn Sheu

A d10 Cu(I) two-dimensional (2D) metal–organic framework (MOF) with chemical formulas, {[Cd(L)(tcm)(H2O)]⋅2H2O}n (1) (L = 1,3,5-tris(4-pyridylethynyl)benzene; tcm−1 = tricyanomethanide) was synthesized and structurally characterized by single crystal X-ray diffraction method. In 1, the coordination geometry of Cu(I) ion is distorted tetrahedral coordinated to four N atoms from three L and one tcm ligands. A 2D puckered honeycomb-like layer is formed via the bridges of Cu(I) ions and L ligands with tris-monodentate coordination mode. Two 2D layers are mutually interpenetrated via the ππ stacking interaction between benzene ring of L ligand and pyridyl ring of neighboring L ligand to form a two-fold interpenetrated 2D net and then arranged orderly to construct its 3D supramolecular network. Thermal stability and in-situ temperature-dependent structural variations of 1 are performed by TG analysis associated with temperature-dependent PXRD measurement. The water vapor ad-/de-sorption isotherm and CO2 adsorption isotherm of 1 are measured and discussed.

d10 Cu(I)二维(2D)金属有机骨架(MOF),化学式为{[Cd(L)(tcm)(H2O)]⋅2H2O}n (1) (L = 1,3,5-三(4-吡啶乙基)苯;合成了tcm−1 = tricyanomethanide),并用单晶x射线衍射法对其进行了结构表征。在1中,Cu(I)离子的配位几何是由3个L配体和1个tcm配体与4个N原子配位的畸变四面体。通过Cu(I)离子与L配体的桥接,形成具有三-单齿配位模式的二维褶皱蜂窝状层。通过L配体的苯环与相邻L配体的吡啶环之间的π -π堆叠相互作用,两个二维层相互互穿,形成双重互穿二维网络,然后有序排列,构建其三维超分子网络。热稳定性和1的原位温度相关结构变化是通过TG分析和温度相关的PXRD测量来完成的。测量并讨论了1的水蒸气吸附/脱附等温线和CO2吸附等温线。
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引用次数: 0
Synthesis of low-cost microporous activated carbon adsorbents for CO2 capture from Palmyra palm fruit shell waste biomass 合成低成本微孔活性炭吸附剂,用于从棕榈果壳废物生物质中捕获二氧化碳
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-27 DOI: 10.1002/jccs.202400261
Shobanaboyina Swapna, Manne Parusha Ramudu, Police Vishnu Vardhan Reddy, Gande Ravi Kumar, Gaddameedi Hima Bindu, Challa Prathap, Dosali Mallesh

Using chemical activation techniques at dissimilar carbonization temperatures, activated carbon adsorbents were produced from Palmyra palm fruit biomass in this work. X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, laser Raman spectroscopy, scanning electron microscopy, CHNS-elemental analysis, and N2 adsorption studies were among the characterization techniques used to assess the characteristics of the carbon adsorbents. The carbon adsorbents from Palmyra palm fruit were used to absorb CO2 in a temperature range of 25–70°C. The findings of the characterization showed that these carbons have a large surface area and microporosity. The temperature of carbonization and the activating agent had an impact on the surface characteristics. The samples with the highest adsorption capacity, 4.70 mmol/g at 25°C, were the activated carbons made by treating them with KOH and then carbonizing them at 750°C. The physicochemical properties of the adsorbents provided an explanation for their high adsorption capacity. The adsorbents showed simple desorption and maintained constant activity during ten cycles of recycling.

采用化学活化技术,在不同的炭化温度下,以棕榈果实为原料制备活性炭吸附剂。x射线衍射、傅里叶变换红外光谱、x射线光电子能谱、激光拉曼光谱、扫描电镜、chns元素分析和N2吸附研究是用来评估碳吸附剂特性的表征技术之一。利用棕榈果实中的碳吸附剂在25 ~ 70℃的温度范围内吸附CO2。表征结果表明,这些碳具有较大的表面积和微孔隙度。炭化温度和活化剂对表面特性有影响。经KOH处理后750℃炭化得到的活性炭在25℃下吸附量最高,为4.70 mmol/g。吸附剂的物理化学性质解释了其高吸附量的原因。在10次循环循环中,吸附剂表现出简单的脱附和稳定的活性。
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引用次数: 0
Basic understanding of Cu-SSZ-13 in catalyzing low-temperature selective catalytic reduction of NOx by ammonia Cu-SSZ-13 在催化氨对氮氧化物的低温选择性催化还原中的基本认识
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-16 DOI: 10.1002/jccs.202400205
Yujie Wang, Tao Zhu, Yunzhe Zhao, Xiaobin Hao

The development of Cu-SSZ-13 represents a significant breakthrough in the field of NOx removal from mobile exhaust, demonstrating excellent selective catalytic reduction (SCR) activity across a broad temperature range (200–500°C). However, the limited reactivity of Cu-SSZ-13 at temperatures below 200°C poses a challenge for the removal of NOx emitted during vehicle cold starts. To stimulate new efforts to enhance low-temperature SCR performance, this review provides a fundamental understanding of the nature of Cu-SSZ-13 in catalyzing the SCR reaction. The structures, coordination environments, and oxidation states of Cu2+ during the SCR reaction, as well as the redox cycle pathway of Cu2+ ions and the characteristics of the rate-determining step, were discussed. Based on these insights, several strategies for improving the low-temperature activity of Cu-SSZ-13 are proposed. Finally, the review offers a perspective on the future of low-temperature SCR of NOx over Cu-SSZ-13.

Cu-SSZ-13的开发代表了汽车尾气NOx去除领域的重大突破,在200-500°C的宽温度范围内表现出出色的选择性催化还原(SCR)活性。然而,Cu-SSZ-13在低于200°C的温度下的有限反应性给车辆冷启动时排放的氮氧化物的去除带来了挑战。本文综述了Cu-SSZ-13催化SCR反应的性质,为进一步提高低温SCR性能提供了新的思路。讨论了SCR反应中Cu2+的结构、配位环境和氧化态,以及Cu2+离子的氧化还原循环途径和速率决定步骤的特点。在此基础上,提出了提高Cu-SSZ-13低温活性的几种策略。最后,对Cu-SSZ-13上低温SCR NOx的未来进行了展望。
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引用次数: 0
Cover: Journal of the Chinese Chemical Society 10/2024 封面中国化学会志 10/2024
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-15 DOI: 10.1002/jccs.1857

Focus of the figure: Spray pyrolysis being as a low-cost synthesis technique to prepare CuMnO2 thin films that deliver the enhanced performance of the photoelectrocatalytic water splitting reaction. More details about this figure will be discussed by Dr. Ming-Hsi Chiang and his co-workers on pages 1203-1210 in this issue.

图中的重点:喷雾热解是制备 CuMnO2 薄膜的一种低成本合成技术,可提高光电催化水分离反应的性能。有关本图的更多详情,蒋明熙博士及其合作者将在本期第 1203-1210 页进行讨论。
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引用次数: 0
Contents and Masthead: Journal of the Chinese Chemical Society 10/2024 内容和刊头:中国化学会志 10/2024
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-15 DOI: 10.1002/jccs.1858
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引用次数: 0
Preview: Journal of the Chinese Chemical Society 10/2024 预览:中国化学会志 10/2024
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-15 DOI: 10.1002/jccs.202410001
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引用次数: 0
Bioinspired synthesis of ZrO2-Zr3Er4O12-based mixed nanomaterial; characterization and analyzing its potential as an electrode material in energy-based devices and its electrocatalytic property zro2 - zr3er4o12基混合纳米材料的仿生合成表征和分析其作为能量基器件电极材料的潜力及其电催化性能
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-08 DOI: 10.1002/jccs.202400187
Sundus Azhar, Khuram Shahzad Ahmad, Isaac Abrahams, Tenzin Ingsel, Ram K. Gupta, Munirah D. Albaqami, Saikh Mohammad, Mahwash Mahar Gul

The sustainable and ecofriendly synthesis of transition metal oxide-based nanomaterials has always been a matter of concern. In this study, a bioinspired synthesis route was adopted to synthesize ZrO2-Zr3Er4O12-based mixed nanomaterial using leaf extract of medicinal plant Amaranthus viridis as reducing and stabilizing agent in replacement of the obnoxious chemicals which are a great threat to the sustainable environment. The synthesized material revealed the spherical shaped morphology through scanning electron microscopy, whereas crystal size of 15.7 nm was observed through Xray-diffraction, and band gap value of 2.7 eV was acquired using Tauc plot. Newly synthesized ZrO2-Zr3Er4O12 nanocomposite was then investigated for its role as electrocatalyst in a generation of energy through the hydrogen evolution reaction and oxygen evolution reaction. The ZrO2-Zr3Er4O12-based electrocatalyst showed better potential for hydrogen evolution reaction measurements with the overpotential value of 242 mV. Furthermore, the notable capacitance value of 495.6 F/g was obtained through cyclic voltammetry for energy storage studies. The cyclic stability was also analyzed using linear sweep voltammetry and results showed promising stability for 2000 cycles. Consequently, the green and economical synthesis route as well as promising electrochemical behavior of ZrO2-Zr3Er4O12-based electrode make it feasible choice for large scale application.

过渡金属氧化物基纳米材料的可持续、环保合成一直是人们关注的问题。本研究以药用植物苋菜叶提取物为还原剂和稳定剂,采用仿生合成途径合成zro2 - zr3er4o12基混合纳米材料,以替代对可持续环境造成严重威胁的有害化学物质。通过扫描电子显微镜观察合成的材料呈球形,x射线衍射观察到晶体尺寸为15.7 nm,通过Tauc图获得了2.7 eV的带隙值。然后研究了新合成的ZrO2-Zr3Er4O12纳米复合材料作为电催化剂通过析氢反应和析氧反应生成能量的作用。zro2 - zr3er4o12基电催化剂具有较好的析氢反应电位,过电位值为242 mV。此外,通过循环伏安法获得了495.6 F/g的显著电容值,用于储能研究。用线性扫描伏安法分析了其循环稳定性,结果表明其在2000次循环内具有良好的稳定性。因此,zro2 - zr3er4o12基电极绿色经济的合成路线和良好的电化学性能使其成为大规模应用的可行选择。
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引用次数: 0
Study on the effects of beta cyclodextrin-zinc oxide nanoparticles as heterogeneous catalysts in microbial oil fermentation 研究β-环糊精-氧化锌纳米颗粒作为异相催化剂在微生物油脂发酵中的作用
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-29 DOI: 10.1002/jccs.202400244
Janice Ravi Kumar, Dayanandan Anandan, Viswanathan Kaliyaperumal

In order to study the catalytic activity of beta cyclodextrin-encapsulated zinc oxide (ZnO) nanoparticles in microbial oil synthesis, rice-washed waste water (RWW) was used as the fermentation medium and streptomyces fradiae as the microbe. The introduction of zinc oxide nanoparticles during fermentation had an impact on output and growth. The biomass percentage was 1.5 times greater and the fatty acid profile was better than in the control samples. The analysis of the induction period (IP) revealed that samples containing zinc oxide nanoparticles had maximum oxidation stability for up to 120 days of storage, along with a considerable reduction in autoxidation. The cetane number and calorific value, however, increased with the addition of ZnO nanoparticles. A new study discovered that the use of ZnO nanoparticles encapsulated in β-CD led to much increased production (63.5 g/L) of microbial oil than the control sample (42.5 g/L). Therefore, it is anticipated that these nanoparticles would find utility in energy-related applications.

为了研究β-环糊精包封的纳米氧化锌(ZnO)颗粒在微生物油脂合成中的催化活性,我们使用洗米废水(RWW)作为发酵培养基,并使用链霉菌(streptomyces fradiae)作为微生物。发酵过程中引入纳米氧化锌颗粒对产量和生长都有影响。与对照样品相比,生物量百分比提高了 1.5 倍,脂肪酸谱也更好。对诱导期(IP)的分析表明,含有纳米氧化锌颗粒的样品在长达 120 天的储存期间具有最大的氧化稳定性,同时自氧化现象也大大减少。不过,十六烷值和热值随着纳米氧化锌颗粒的添加而增加。一项新的研究发现,使用封装在 β-CD 中的氧化锌纳米颗粒,微生物油的产量(63.5 克/升)比对照样本(42.5 克/升)高出很多。因此,预计这些纳米粒子将在与能源有关的应用中发挥作用。
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引用次数: 0
Analysis of the electronic nature and transport properties of Co2CrGe, Co2FeGe, and Co2NiGa by computational electronic structure calculations 通过计算电子结构分析 Co2CrGe、Co2FeGe 和 Co2NiGa 的电子性质和传输特性
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-25 DOI: 10.1002/jccs.202400127
Banaras Khan, Muhammad Saeed, Aijaz Rasool Chaudhry, Sabahat Gul, Abdul Qayyum, Aiman Bazilla, Umar Shahzad, Irfan Ullah, Jabir Khan, Raza Muhammad

Electronic and thermoelectric properties of the full-Heusler materials Co2CrGe, Co2FeGe, and Co2NiGa are studied, using first-principles full potential linearized augmented plane waves method. To treat the exchange correlation, Generalized Gradient Approximation parameterized by PBE-sol with the inclusion of spin polarization is used. The frequency fluctuation order is continual at 300 K after heating to 3 ps with very small distraction in the atomic structure conforming the structure stability of the studied structures. Also inclusion of spin-orbit coupling effect on density of states undermines significant change in peaks specially d-states in the materials and caused a degeneracy. Band structure analysis clarified that states crossing the Fermi level have the importance for enhancing the thermoelectric properties of the materials. The topology of the states indicates a gap at the bulk level, which is the unique character of the heavy elements in the materials Co2CrGe, Co2FeGe, and Co2NiGa. Thermoelectric properties are calculated for a temperature of 300 K using semi-classical Boltzmann's theory implemented in BoltzTraP code. In these calculations, it is found that these materials favor electron doping with having maximum values of ZT in the n-type region.

采用第一原理全势线性化增强平面波方法研究了全赫斯勒材料 Co2CrGe、Co2FeGe 和 Co2NiGa 的电子和热电特性。为了处理交换相关性,使用了由 PBE-sol 参数化并包含自旋极化的广义梯度近似法。在加热到 3 ps 后,频率波动顺序在 300 K 时保持不变,原子结构的扰动非常小,这符合所研究结构的结构稳定性。此外,自旋轨道耦合效应对状态密度的影响也削弱了材料中特殊 d 态峰值的显著变化,并导致了退变性。带状结构分析表明,跨越费米级的状态对增强材料的热电特性非常重要。这些态的拓扑结构表明在体层上存在间隙,这是 Co2CrGe、Co2FeGe 和 Co2NiGa 材料中重元素的独特性质。利用 BoltzTraP 代码实现的半经典玻尔兹曼理论计算了 300 K 温度下的热电性能。计算发现,这些材料有利于电子掺杂,在 n 型区域具有最大的 ZT 值。
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引用次数: 0
Synthesis of Eu3+ doped magnesium aluminate spinel via combustion method: Investigation of thermodynamics, crystal structure, microstructure, and luminescence properties 通过燃烧法合成 Eu3+ 掺杂铝酸镁尖晶石:热力学、晶体结构、微观结构和发光特性研究
IF 1.6 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-18 DOI: 10.1002/jccs.202400155
Mehran Ghodrati, Seyed Mahdi Rafiaei

In the current research, the rare earth-doped magnesium aluminate (MgAl2O4:Eu3+) spinels were produced by the combustion synthesis method. The employment of thermodynamic calculations revealed that the combustion approach is a proper way to synthesize MgAl2O4:Eu3+ material by urea fuel, although this procedure was fulfilled at 500°C, the final temperature will be around 2030°C. The x-ray and FT-IR spectra confirmed the successful formation of spinels, while it was shown that the calcination procedure results in a significant increase of crystallinity. On the other hand, it was interestingly seen that the addition of large amounts of Eu3+dopant (10 wt%) suppresses the crystallinity. The MAUD calculations interestingly revealed that the increase of Eu3+ dopant from 1 to 10 wt% leads to the increase of MgO and Al2O3 impurities. The related microstructural evaluations revealed that the particle size of the synthesized powders is mostly less than 40 nm which shows the superiority of combustion synthesis over other commercial methods. Also, the broadening of XRD peaks confirmed the formation of nano-sized powder. The photoluminescence (PL) characterizations showed that doping of MgAl2O4 with 7 wt% Eu3+ brings the most intensive emission properties at the wavelengths of 592 and 617 nm.

目前的研究采用燃烧合成法生产稀土掺杂铝酸镁(MgAl2O4:Eu3+)尖晶石。热力学计算表明,燃烧法是利用尿素燃料合成 MgAl2O4:Eu3+ 材料的正确方法。X 射线和傅立叶变换红外光谱证实了尖晶石的成功形成,同时还表明煅烧过程会显著增加结晶度。另一方面,有趣的是,加入大量 Eu3+ 掺杂剂(10 wt%)会抑制结晶度。MAUD 计算有趣地发现,Eu3+掺杂剂从 1 wt% 增加到 10 wt% 会导致 MgO 和 Al2O3 杂质的增加。相关的微观结构评估显示,合成粉末的粒径大多小于 40 nm,这表明燃烧合成法优于其他商业方法。此外,XRD 峰的增宽也证实了纳米级粉末的形成。光致发光(PL)特性分析表明,在 MgAl2O4 中掺杂 7 wt% 的 Eu3+ 会在 592 和 617 nm 波长处产生最强烈的发射特性。
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引用次数: 0
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Journal of The Chinese Chemical Society
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