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Development of a chromium-based metal–organic framework, MIL-88B(Cr), modified with deep eutectic solvents for the efficient, simultaneous removal of bisphenol A and bisphenol S 用深度共晶溶剂改性的铬基金属有机骨架MIL-88B(Cr)的研制,用于同时高效去除双酚a和双酚S
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-24 DOI: 10.1039/D5NJ04153H
Xiuge Wang, Shenshen Li, Shijiang Huang, Geer Huo, Chenshi Luo, Yongli Liu and Guifen Zhu

The efficient removal of bisphenol pollutants is essential for the protection of the human health and the ecological environment. In this work, a novel composite was successfully constructed from a chromium-based metal–organic framework, MIL-88B(Cr), with its structural stability and surface modified with green deep eutectic solvents (DESs) derived from methacrylatoethyl trimethyl ammonium chloride, acrylamide, and caffeic acid. The application of DESs introduced functional groups that enhanced the adsorption performance via hydrogen bonding and electrostatic interactions, which further realized the efficient, simultaneous removal of bisphenol A and bisphenol S (BPA and BPS). This composite, namely, DES@MIL-88B(Cr), exhibited an optimum adsorption performance towards BPS when the dosages of DES, MIL-88B(Cr), and H2O were 0.8 mL, 0.20 g, and 30 mL, respectively. The adsorption capacities of DES@MIL-88B(Cr) for BPA and BPS reached 49.05 mg g−1 and 91.40 mg g−1, which were 3.12 and 16.60 times higher than those of MIL-88B(Cr), respectively. Moreover, DES@MIL-88B(Cr) achieved adsorption equilibrium within 10 min and 5 min for BPA and BPS, respectively. The pseudo-first-order kinetic model and the Langmuir isotherm model fitted best among all other adsorption models for both BPA and BPS. Thermodynamic analysis revealed that the adsorption processes occurred spontaneously and exothermically. The adsorption mechanisms were mainly attributed to hydrogen bonding, electrostatic interactions, and π–π conjugation. DES@MIL-88B(Cr) effectively removed BPA and BPS from 9 environmental water and plastic samples and achieved recoveries of 92.82%–114.43% for BPA and BPS. Furthermore, DES@MIL-88B(Cr) maintained over 96% efficiency after 10 regeneration cycles. This work offers new perspectives on the potential application of DES-modified MOFs as green, high-performance adsorbents and provides a sustainable strategy for the removal of emerging contaminants.

有效去除双酚类污染物对保护人类健康和生态环境至关重要。在这项工作中,成功构建了一种新型的铬基金属有机骨架MIL-88B(Cr)复合材料,其结构稳定,表面用由甲基丙烯酸乙酯三甲基氯化铵、丙烯酰胺和咖啡酸衍生的绿色深共晶溶剂(DESs)修饰。DESs的应用引入了通过氢键和静电相互作用增强吸附性能的官能团,进一步实现了双酚A和双酚S (BPA和BPS)的高效、同时去除。当DES用量为0.8 mL, MIL-88B(Cr)用量为0.20 g, H2O用量为30 mL时,该复合材料DES@MIL-88B(Cr)对BPS的吸附性能最佳。DES@MIL-88B(Cr)对BPA和BPS的吸附量分别达到49.05 mg g - 1和91.40 mg g - 1,分别是MIL-88B(Cr)的3.12和16.60倍。此外,DES@MIL-88B(Cr)对BPA和BPS的吸附分别在10 min和5 min内达到平衡。拟一级动力学模型和Langmuir等温线模型对BPA和BPS的吸附效果最好。热力学分析表明,吸附过程是自发和放热的。吸附机理主要为氢键作用、静电相互作用和π -π共轭作用。DES@MIL-88B(Cr)有效去除9种环境水和塑料样品中的BPA和BPS, BPA和BPS的回收率为92.82% ~ 114.43%。此外,DES@MIL-88B(Cr)在10次再生循环后仍保持96%以上的效率。这项工作为des改性mof作为绿色、高性能吸附剂的潜在应用提供了新的视角,并为去除新出现的污染物提供了可持续的策略。
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引用次数: 0
A borax crosslinked hydrogel of 2-methyl-2-propene-1-sulphonate grafted onto guar gum for removing cationic dyes and Cr6+ ions 接枝瓜尔胶的2-甲基-2-丙烯-1-磺酸盐硼砂交联水凝胶,用于去除阳离子染料和Cr6+离子
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-24 DOI: 10.1039/D5NJ03787E
Kavita Chauhan, Ghanshyam S. Chauhan and Sandeep Chauhan

This study describes the effective removal of cationic dyes and Cr6+ ions from aqueous solutions by employing a borax crosslinked hydrogel of guar gum (GG) grafted with 2-methyl-2-propene-1-sulphonate (MPS), GG@MPS@H, by free radical polymerization. The well characterized GG@MPS@H hydrogel was examined as an adsorbent for cationic dyes, methylene blue (MB) and crystal violet (CV), and Cr6+ ions by batch adsorption experiments. The values of maximum %removal for CV, MB, and Cr6+ ions were found to be 98.01%, 95.80%, and 92.82%, respectively. The pseudo-2nd order kinetic and Langmuir isotherm models showed the highest values of correlation coefficients (R2) and least values of error functions (χ2), root mean square errors (RMSE) and normalized standard deviations (Δq%) for all the adsorbates, indicating the best fitting of the models to the adsorption data. The results showed GG@MPS@H's maximal adsorption capacity of 231.95, 263.72, and 215.60 mg g−1 for CV, MB, and Cr6+ ions, respectively. The observations of thermodynamic analysis showed that adsorption was spontaneous and exothermic. Additionally, GG@MPS@H displayed remarkable regeneration and recyclability after nine adsorption–desorption cycles without any appreciable loss of adsorption performance. The results of the studies performed to investigate the practical utility of the hydrogel for the treatment of real industrial wastewater indicated its significant potential as an effective adsorbent for real wastewater treatment. The studies demonstrated GG@MPS@H as a cost effective and sustainable adsorbent with high adsorption efficacy for removing cationic dyes and Cr6+ ions with prospective applications for real wastewater treatment.

本文研究了用2-甲基-2-丙烯-1-磺酸钠(MPS) GG@MPS@H接枝瓜尔胶(GG)的硼砂交联水凝胶,通过自由基聚合有效去除水溶液中的阳离子染料和Cr6+离子。通过批吸附实验,考察了表征良好的GG@MPS@H水凝胶对阳离子染料、亚甲基蓝(MB)、结晶紫(CV)和Cr6+离子的吸附剂性能。对CV、MB和Cr6+离子的最大去除率分别为98.01%、95.80%和92.82%。拟二阶动力学模型和Langmuir等温线模型的相关系数(R2)最高,误差函数(χ2)、均方根误差(RMSE)和标准化标准差(Δq%)最小,表明模型与吸附数据拟合最佳。结果表明:GG@MPS@H对CV、MB和Cr6+离子的最大吸附量分别为231.95、263.72和215.60 mg g−1;热力学分析结果表明,吸附是自发的、放热的。此外,GG@MPS@H在9次吸附-解吸循环后表现出显著的再生和可回收性,而吸附性能没有明显的损失。对水凝胶在实际工业废水处理中的实际应用进行的研究结果表明,水凝胶作为一种有效的吸附剂在实际废水处理中具有巨大的潜力。研究表明,GG@MPS@H是一种经济、可持续的吸附剂,对阳离子染料和Cr6+离子具有较高的吸附效率,在实际废水处理中具有广阔的应用前景。
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引用次数: 0
In situ synthesis and stabilization of silver nanoparticles in a bilayer polydopamine architecture for label-free electrochemical immunosensing of carcinoembryonic antigen 用于癌胚抗原无标记电化学免疫传感的双层聚多巴胺结构银纳米粒子的原位合成和稳定
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-24 DOI: 10.1039/D5NJ04693A
Xiaobo Wang, Shuqi Li, Haiting Tan, Jie Shen, Ximing Xie, Bo Liu and Ling Ye

A simple, label-free electrochemical immunosensor for the detection of carcinoembryonic antigen (CEA) was developed using a nanocomposite. The sensing interface was constructed via a polydopamine (PDA) bilayer strategy: a PDA layer was first self-assembled on the electrode surface, utilizing its reducing capability for the in situ synthesis of silver nanoparticles (AgNPs). A secondary PDA layer was then applied to stabilize the AgNPs and provide active groups for the immobilization of the primary antibody. The fabrication process of the immunosensor was monitored by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The differential pulse voltammetry (DPV) peak current decreased linearly with increasing CEA concentration (0.05–20 ng mL−1). The calibration curve was defined as I(µA) = −0.5681c[CEA] (ng mL−1) + 11.9079 with a correlation coefficient (R2) of 0.9936. This study provides a feasible technical route for CEA detection within the clinically relevant range, featuring simple fabrication and excellent reproducibility, showing great potential for point-of-care (POC) testing devices.

利用纳米复合材料研制了一种简单、无标记的癌胚抗原(CEA)电化学免疫传感器。传感界面是通过聚多巴胺(PDA)双层策略构建的:首先在电极表面自组装PDA层,利用其还原能力原位合成银纳米颗粒(AgNPs)。然后应用二级PDA层来稳定AgNPs,并为一抗的固定提供活性基团。利用循环伏安法(CV)和电化学阻抗谱法(EIS)对免疫传感器的制备过程进行了监测。差脉冲伏安法(DPV)峰值电流随CEA浓度的增加呈线性下降(0.05 ~ 20 ng mL−1)。标定曲线定义为I(µA) = - 0.5681c[CEA] (ng mL - 1) + 11.9079,相关系数(R2)为0.9936。本研究为临床相关范围内的CEA检测提供了一种可行的技术路线,制作简单,重现性好,在医疗点(POC)检测设备上具有很大的潜力。
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引用次数: 0
Superhydrophobic anti-corrosion coatings for metal surfaces: a systematic review from fabrication to performance 金属表面的超疏水防腐涂层:从制造到性能的系统综述
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-24 DOI: 10.1039/D5NJ04479K
Yuling Huang, Guo Lin, Liguo Yue, Tao Wang, Xiaoyan Liu and Bangwen Zhang

Metals are fundamental to numerous industrial and everyday applications, yet corrosion poses significant economic and safety challenges. Superhydrophobic coatings have shown great promise in mitigating these issues by effectively minimizing the retention and penetration of corrosive electrolytes. Through multiple protective mechanisms – such as water repellency, inhibition of electrochemical reactions, and enhanced interfacial adhesion – these coatings isolate the metal substrate from direct contact with corrosive media, thereby significantly improving corrosion resistance. As a result, superhydrophobic coatings have attracted considerable research interest in the field of metal anti-corrosion. This review summarizes recent advances in superhydrophobic coatings for metal protection, systematically elaborating on their protective mechanisms and fabrication techniques. It also summarizes the current state of research and discusses prevailing challenges along with future prospects for superhydrophobic coating technology in corrosion protection.

金属是许多工业和日常应用的基础,但腐蚀带来了重大的经济和安全挑战。超疏水涂层通过有效地减少腐蚀性电解质的滞留和渗透,在缓解这些问题方面显示出很大的希望。通过多种保护机制,如防水性、抑制电化学反应和增强界面附着力,这些涂层将金属基材与腐蚀介质的直接接触隔离,从而显着提高了耐腐蚀性。因此,超疏水涂层在金属防腐领域引起了广泛的研究兴趣。本文综述了近年来金属防护用超疏水涂层的研究进展,系统阐述了超疏水涂层的防护机理和制备技术。总结了超疏水涂层技术在防腐领域的研究现状,讨论了超疏水涂层技术面临的挑战以及未来的发展前景。
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引用次数: 0
Microstructural investigation and magnetic studies on sonochemically synthesized Ni-substituted copper zinc ferrite nanoparticles for heterogeneous green catalytic click chemistry and dye degradation 声化学合成镍取代铜锌铁氧体纳米颗粒的微观结构和磁性研究用于非均相绿色催化化学和染料降解
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-24 DOI: 10.1039/D5NJ03894D
Sunil Mukherjee, Rahul Kumar Das, Atul Bandyopadhyay, Bhaskar Jyoti Sarkar and Ujjal Kanti Roy

Cu0.5Ni0.3Zn0.2Fe2O4 nanoparticles were synthesized via a sonochemical method and annealed at 600 °C to achieve a pure crystalline spinel phase. Rietveld refinement of the X-ray diffraction (XRD) pattern confirmed the phase purity, crystallite size and cationic distribution. FESEM and HRTEM images revealed that the nanocrystals are highly agglomerated due to strong magnetic interactions among the nanoparticles. EDAX was employed to confirm the elemental composition of the synthesized Cu0.5Ni0.3Zn0.2Fe2O4 nanoferrite. HRTEM analysis also ruled out the presence of any impurity phases. Fourier-transform infrared spectroscopy (FTIR) revealed characteristic metal–oxygen stretching vibrations at the tetrahedral lattice sites, while UV-vis spectroscopy showed a direct optical band gap of 2.23 eV. Magnetic measurements demonstrated near-saturation in the M–H loops in the low-field region (∼2000 Oe), indicating strong ferromagnetic behavior due to the presence of divalent Ni2+ ions in the spinel lattice. Photocatalytic studies using rhodamine-B dye under visible light irradiation showed that the degradation efficiency of CuFe2O4 (55%) increased to 78% with combined Zn and Ni doping. Kinetic analysis showed that a pseudo-second-order model was followed with a correlation coefficient of R2 = 0.995. The catalyst also exhibited good recyclability, retaining photocatalytic activity over three consecutive cycles. Cu0.5Ni0.3Zn0.2Fe2O4 nanoparticles served as an efficient heterogeneous catalyst for three-component Huisgen 1,3-dipolar CuAAC “click” reactions in aqueous media. The catalyst's stability, reusability, and ease of magnetic separation highlight its green chemistry potential. These multifunctional nanoparticles show great promise as visible-light-active photocatalysts and sustainable catalysts for organic transformations, contributing to key Sustainable Development Goals (SDGs).

采用声化学方法合成了Cu0.5Ni0.3Zn0.2Fe2O4纳米颗粒,并在600℃下退火得到了纯尖晶石相。x射线衍射(XRD)图的Rietveld细化证实了相纯度、晶粒尺寸和阳离子分布。FESEM和HRTEM图像显示,由于纳米颗粒之间的强磁相互作用,纳米晶体高度团聚。利用EDAX对合成的Cu0.5Ni0.3Zn0.2Fe2O4纳米铁氧体进行元素组成分析。HRTEM分析也排除了任何杂质相的存在。傅里叶变换红外光谱(FTIR)显示了四面体晶格位置的金属-氧拉伸振动特征,紫外-可见光谱显示了2.23 eV的直接光学带隙。磁测量表明,低场区域(~ 2000 Oe)的M-H环接近饱和,表明由于尖晶石晶格中存在二价Ni2+离子而具有强铁磁行为。罗丹明- b染料在可见光下的光催化研究表明,Zn和Ni复合掺杂对CuFe2O4的降解效率从55%提高到78%。动力学分析结果表明,相关系数R2 = 0.995,符合拟二阶模型。该催化剂还表现出良好的可回收性,在连续三个循环中保持光催化活性。Cu0.5Ni0.3Zn0.2Fe2O4纳米颗粒作为三组分Huisgen 1,3-偶极CuAAC“点击”反应的高效非均相催化剂。催化剂的稳定性、可重复使用性和易于磁分离突出了其绿色化学潜力。这些多功能纳米颗粒作为可见光活性光催化剂和有机转化的可持续催化剂具有巨大的前景,有助于实现关键的可持续发展目标(sdg)。
{"title":"Microstructural investigation and magnetic studies on sonochemically synthesized Ni-substituted copper zinc ferrite nanoparticles for heterogeneous green catalytic click chemistry and dye degradation","authors":"Sunil Mukherjee, Rahul Kumar Das, Atul Bandyopadhyay, Bhaskar Jyoti Sarkar and Ujjal Kanti Roy","doi":"10.1039/D5NJ03894D","DOIUrl":"https://doi.org/10.1039/D5NJ03894D","url":null,"abstract":"<p >Cu<small><sub>0.5</sub></small>Ni<small><sub>0.3</sub></small>Zn<small><sub>0.2</sub></small>Fe<small><sub>2</sub></small>O<small><sub>4</sub></small> nanoparticles were synthesized <em>via</em> a sonochemical method and annealed at 600 °C to achieve a pure crystalline spinel phase. Rietveld refinement of the X-ray diffraction (XRD) pattern confirmed the phase purity, crystallite size and cationic distribution. FESEM and HRTEM images revealed that the nanocrystals are highly agglomerated due to strong magnetic interactions among the nanoparticles. EDAX was employed to confirm the elemental composition of the synthesized Cu<small><sub>0.5</sub></small>Ni<small><sub>0.3</sub></small>Zn<small><sub>0.2</sub></small>Fe<small><sub>2</sub></small>O<small><sub>4</sub></small> nanoferrite. HRTEM analysis also ruled out the presence of any impurity phases. Fourier-transform infrared spectroscopy (FTIR) revealed characteristic metal–oxygen stretching vibrations at the tetrahedral lattice sites, while UV-vis spectroscopy showed a direct optical band gap of 2.23 eV. Magnetic measurements demonstrated near-saturation in the M–H loops in the low-field region (∼2000 Oe), indicating strong ferromagnetic behavior due to the presence of divalent Ni<small><sup>2+</sup></small> ions in the spinel lattice. Photocatalytic studies using rhodamine-B dye under visible light irradiation showed that the degradation efficiency of CuFe<small><sub>2</sub></small>O<small><sub>4</sub></small> (55%) increased to 78% with combined Zn and Ni doping. Kinetic analysis showed that a pseudo-second-order model was followed with a correlation coefficient of <em>R</em><small><sup>2</sup></small> = 0.995. The catalyst also exhibited good recyclability, retaining photocatalytic activity over three consecutive cycles. Cu<small><sub>0.5</sub></small>Ni<small><sub>0.3</sub></small>Zn<small><sub>0.2</sub></small>Fe<small><sub>2</sub></small>O<small><sub>4</sub></small> nanoparticles served as an efficient heterogeneous catalyst for three-component Huisgen 1,3-dipolar CuAAC “click” reactions in aqueous media. The catalyst's stability, reusability, and ease of magnetic separation highlight its green chemistry potential. These multifunctional nanoparticles show great promise as visible-light-active photocatalysts and sustainable catalysts for organic transformations, contributing to key Sustainable Development Goals (SDGs).</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 4","pages":" 2005-2022"},"PeriodicalIF":2.5,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146045372","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
Polymeric sulfonated phenylamine as an efficient solid catalyst for the production of photochromic naphthopyrans 聚合磺化苯胺作为一种有效的固体催化剂用于生产光致变色萘吡喃
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-23 DOI: 10.1039/D5NJ03534A
Shanglin Li, Qin Li, Zihao Yin, Mingyi Liang, Pingbo Zhang and Yan Leng

Naphthopyran (NP) compounds, known for their photochromic properties, hold considerable promise for various applications. Nevertheless, their synthesis remains a significant challenge. In this research, sulfonated aniline was reacted with 1,4-bis(chloromethyl)benzene via Friedel–Crafts alkylation polymerization to create a novel polymeric sulfonated phenylamine (PSP) solid acid catalyst. This catalyst was employed in the condensation reaction between naphthols (methyl- or methoxy-substituted and unsubstituted) and bisphenyl-2-propynyl-1-alcohol, resulting in high yields of NPs. Remarkably, the catalyst can be easily recovered and reused without significant loss of performance. The study revealed that the appropriate acid strength of PSP is crucial for producing NPs with high activity and selectivity. A possible mechanism explaining the enhanced catalytic activity of this novel PSP has been proposed.

萘吡喃(NP)化合物以其光致变色特性而闻名,具有相当大的应用前景。然而,它们的合成仍然是一个重大挑战。本研究以磺化苯胺与1,4-二(氯甲基)苯为原料,通过Friedel-Crafts烷基化聚合反应,制备了新型聚合磺化苯胺(PSP)固体酸催化剂。该催化剂用于萘酚(甲基或甲氧基取代和未取代)与2- 2-丙基-1-双苯基醇的缩合反应,得到了高收率的NPs。值得注意的是,催化剂可以很容易地回收和重复使用,而不会显著损失性能。研究表明,适宜的PSP酸强度是制备高活性、高选择性NPs的关键。提出了一种解释这种新型PSP催化活性增强的可能机制。
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引用次数: 0
A CeO2/CuCo2S4 composite for peroxymonosulfate activation to enhance elimination of tetracycline hydrochloride in wastewater CeO2/CuCo2S4复合材料的过氧单硫酸盐活化增强废水中盐酸四环素的去除
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-23 DOI: 10.1039/D5NJ04055H
Qing Lin, Dedong Sun, Hongchao Ma, Guowen Wang, Xinxin Zhang and Jun Hao

In this work, a novel CeO2/CuCo2S4 composite was fabricated by a hydrothermal method and utilized to catalyze peroxymonosulfate (PMS) for tetracycline hydrochloride (TCH) elimination. The results showed that the system with 90 mg L−1 0.5-CeO2/CuCo2S4 and 0.9 mM PMS could degrade 96.5% of 15 mg L−1 TCH within 120 min at 20 °C. Reactive oxygen species (ROS) capture experiments and electron paramagnetic resonance (EPR) tests showed that the captured ROS, including hydroxyl radicals (˙OH), superoxide anions (O2˙), singlet oxygen (1O2), and sulfate radicals (SO4˙), were involved in TCH decomposition. The superior catalytic activity of 0.5-CeO2/CuCo2S4 stemmed from two critical factors: (i) the contribution of the Ce and S species to the Co3+/Co2+ redox cycle and (ii) the synergistic effect of Co3+/Co2+, Cu2+/Cu+, and Ce4+/Ce3+ cycles in activating PMS. The recycling experiments demonstrated that the TCH removal efficiency was 89.2% after four consecutive cycles, and the elemental composition and crystal structure of the catalyst remained unchanged, indicating that the 0.5-CeO2/CuCo2S4 composite has good reusability. In summary, the 0.5-CeO2/CuCo2S4 composite exhibits advantages including straightforward preparation, outstanding catalytic activity, and good reusability, making it a promising candidate for water pollution remediation.

本文采用水热法制备了一种新型CeO2/CuCo2S4复合材料,并利用其催化过氧单硫酸盐(PMS)去除盐酸四环素(TCH)。结果表明,在90 mg L−1 0.5-CeO2/CuCo2S4和0.9 mM PMS的条件下,在20°C条件下,120 min内可降解15 mg L−1 TCH的96.5%。活性氧(ROS)捕获实验和电子顺磁共振(EPR)实验表明,捕获的活性氧包括羟基自由基(˙OH)、超氧阴离子(O2˙−)、单重态氧(1O2)和硫酸盐自由基(SO4˙−)参与了TCH的分解。0.5-CeO2/CuCo2S4优异的催化活性源于两个关键因素:(1)Ce和S组分对Co3+/Co2+氧化还原循环的贡献;(2)Co3+/Co2+、Cu2+/Cu+和Ce4+/Ce3+循环对PMS活化的协同作用。循环实验表明,连续循环4次后,TCH去除率为89.2%,催化剂的元素组成和晶体结构保持不变,表明0.5-CeO2/CuCo2S4复合材料具有良好的重复使用性。综上所述,0.5-CeO2/CuCo2S4复合材料具有制备简单、催化活性突出、可重复使用等优点,是水污染修复的理想材料。
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引用次数: 0
Revealing the catalytic mechanism of CO oxidation on AlN3C-doped graphene: synergistic roles of Al, N, and C 揭示掺aln3c石墨烯上CO氧化的催化机理:Al、N和C的协同作用
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-23 DOI: 10.1039/D5NJ04139B
Xian-Yan Xu, Minjie Wang, Dongxia Peng, Chunyao Tao, Xiaobing Wang, Xiuzhen Qiu, Hanlu Wang and Zhi-Feng Li

This study employs density functional theory (DFT) calculations to confirm the structural stability of AlN3C–Gr and to elucidate its reaction mechanism toward CO oxidation. The catalyst is found to be thermodynamically and thermally stable without metal aggregation. Adsorption analyses show that O2 preferentially binds to the Al site with moderate strength, while CO exhibits weaker chemisorption and CO2 is physisorbed, preventing CO poisoning and facilitating product desorption. The relative adsorption trend of CO, O2, and CO2 remains unchanged with increasing temperature or partial pressure. Mechanistic investigations reveal that CO oxidation proceeds via two Eley–Rideal pathways: a dissociative route and a nondissociative route, both featuring low activation barriers (0.34–0.43 eV) over 200–500 K. The synergy among Al, N, and the coordinated C fine-tunes the local coordination environment, promoting O–O bond activation and rapid CO oxidation. These results demonstrate that AlN3C–Gr possesses intrinsic low-temperature activity and provide theoretical insights for the rational design of efficient main-group M–N–C catalysts for CO oxidation catalysis.

本研究采用密度泛函理论(DFT)计算证实了AlN3C-Gr的结构稳定性,并阐明了其对CO氧化的反应机理。该催化剂具有热力学和热稳定性,无金属聚集。吸附分析表明,O2优先与Al位点结合,强度适中,而CO的化学吸附较弱,CO2被物理吸附,防止了CO中毒,有利于产物的脱附。随着温度和分压的升高,CO、O2和CO2的相对吸附趋势保持不变。机制研究表明,CO的氧化过程通过两个Eley-Rideal途径进行:解离途径和非解离途径,在200-500 K范围内均具有低激活势垒(0.34-0.43 eV)。Al, N和协同C之间的协同作用微调了局部配位环境,促进O-O键激活和快速CO氧化。这些结果表明,AlN3C-Gr具有固有的低温活性,为合理设计高效的M-N-C主基团CO氧化催化剂提供了理论依据。
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引用次数: 0
Enhanced performance of nickel-doped porous carbon derived from soybean hulls for supercapacitor applications 超级电容器用大豆壳制备的掺镍多孔碳的增强性能
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-23 DOI: 10.1039/D5NJ04394H
Yuanyuan Wang, Hang Yuan, Yingjing Xia, Yiping Li, Peng Qiao, Jiaojing Zhang, Xiaohan Sun and Ruixia Niu

Bio-based activated carbon and transition metal oxides, as electrode materials, exhibit excellent electrochemical performance and have broad prospects for application in supercapacitor devices. Soybean husks are a renewable, inexpensive, and widely utilized biomass waste, making them an ideal choice for biomass-activated carbon. Nickel can undergo reversible multivalent state transformation (such as Ni2+/Ni3+/Ni4+) during redox reactions and has high electrochemical activity. In this study, Ni(NO3)2·6H2O was used as the nickel source and loaded onto soybean hulls (SBH) activated by K2CO3 to prepare SBH@Ni-x. The composite material achieved a maximum specific capacitance of 513.9 F g−1 at 1 A g−1 during the three-electrode test with 6 M KOH. When forming symmetrical SCs with SBH@Ni-0.05//SBH@Ni-0.05, the energy density reaches 28.35 Wh kg−1 in a 1 M Na2SO4 electrolyte, whereas in 6 M KOH electrolyte it remains at 14.24 Wh kg−1 (1 A g−1). Additionally, after 10 000 cycles, it retains 83.3% of its original capacitance and has a coulombic efficiency of nearly 100%. These results indicate that nickel loaded on biomass-activated carbon is a promising continuous, efficient, and eco-friendly material for supercapacitor devices.

生物基活性炭和过渡金属氧化物作为电极材料,具有优异的电化学性能,在超级电容器器件中具有广阔的应用前景。大豆壳是一种可再生、廉价且应用广泛的生物质废弃物,是制备生物质活性炭的理想选择。镍在氧化还原反应中可发生可逆的多价态转变(如Ni2+/Ni3+/Ni4+),具有较高的电化学活性。本研究以Ni(NO3)2·6H2O为镍源,负载于K2CO3活化的大豆壳(SBH)上制备SBH@Ni-x。在6 M KOH的三电极条件下,复合材料在1 a g−1下的最大比电容为513.9 F g−1。当与SBH@Ni-0.05//SBH@Ni-0.05形成对称SCs时,在1 M Na2SO4电解质中能量密度达到28.35 Wh kg−1,而在6 M KOH电解质中能量密度保持在14.24 Wh kg−1 (1 a g−1)。此外,经过10,000次循环后,它仍保持其原始电容的83.3%,库仑效率接近100%。这些结果表明,镍负载在生物质活性炭上是一种很有前途的连续、高效、环保的超级电容器材料。
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引用次数: 0
Constructing a p–n heterojunction between Bi2WO6 and Co3O4 for enhanced photothermocatalytic degradation of toluene 构建Bi2WO6和Co3O4之间的p-n异质结以增强光热催化降解甲苯
IF 2.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-23 DOI: 10.1039/D5NJ04296H
Qi Xue, Yangjie Qiao, Bo Li, Pengpeng Du, Qiufang Liu, Yan Yan, Ruiyu Li, Yuan Dang and Yuanzhen Zhou

The indiscriminate release of volatile organic compounds (VOCs) has exacerbated environmental pollution. Photothermocatalysis, a low-cost, high-efficiency, and environmentally friendly method, has attracted significant attention for VOC removal. Herein, a series of flower-like Bi2WO6/Co3O4 heterojunction nanocomposites (Bi2WO6/Co3O4 FHNs) were synthesized for photothermocatalytic toluene oxidation. The catalytic activity of Bi2WO6/Co3O4 FHNs is superior to that of the single components Bi2WO6 and Co3O4, with a T90 of toluene at 130 °C under light irradiation. The excellent catalytic activity and stability of Bi2WO6/Co3O4 FHNs are attributable to the distinctive heterojunction interface and the augmented photothermal synergistic effect. The establishment of the p–n heterojunction significantly modifies the electronic structure of the catalyst surface and increases the surface adsorbed oxygen content, which is favourable for the creation of active oxygen. Under light irradiation, the p–n heterojunction can enhance light absorption, charge generation, and light-to-heat conversion capabilities, further boosting the photothermocatalytic degradation performance of toluene. This research provides novel perspectives for exploring and developing high-performance photothermal catalysts for VOC degradation.

挥发性有机化合物(VOCs)的肆意释放加剧了环境污染。光热催化作为一种低成本、高效、环保的去除VOC的方法,受到了广泛的关注。本文合成了一系列花状Bi2WO6/Co3O4异质结纳米复合材料(Bi2WO6/Co3O4 FHNs),用于光热催化甲苯氧化。在130℃光照下,Bi2WO6/Co3O4 FHNs的催化活性优于Bi2WO6和Co3O4单组分,T90为甲苯。Bi2WO6/Co3O4 FHNs具有优异的催化活性和稳定性,主要归功于其独特的异质结界面和增强的光热协同效应。p-n异质结的建立显著地改变了催化剂表面的电子结构,增加了表面吸附的氧含量,这有利于活性氧的产生。在光照射下,p-n异质结可以增强光吸收、电荷产生和光热转换能力,进一步提高甲苯的光热催化降解性能。该研究为探索和开发降解VOC的高性能光热催化剂提供了新的视角。
{"title":"Constructing a p–n heterojunction between Bi2WO6 and Co3O4 for enhanced photothermocatalytic degradation of toluene","authors":"Qi Xue, Yangjie Qiao, Bo Li, Pengpeng Du, Qiufang Liu, Yan Yan, Ruiyu Li, Yuan Dang and Yuanzhen Zhou","doi":"10.1039/D5NJ04296H","DOIUrl":"https://doi.org/10.1039/D5NJ04296H","url":null,"abstract":"<p >The indiscriminate release of volatile organic compounds (VOCs) has exacerbated environmental pollution. Photothermocatalysis, a low-cost, high-efficiency, and environmentally friendly method, has attracted significant attention for VOC removal. Herein, a series of flower-like Bi<small><sub>2</sub></small>WO<small><sub>6</sub></small>/Co<small><sub>3</sub></small>O<small><sub>4</sub></small> heterojunction nanocomposites (Bi<small><sub>2</sub></small>WO<small><sub>6</sub></small>/Co<small><sub>3</sub></small>O<small><sub>4</sub></small> FHNs) were synthesized for photothermocatalytic toluene oxidation. The catalytic activity of Bi<small><sub>2</sub></small>WO<small><sub>6</sub></small>/Co<small><sub>3</sub></small>O<small><sub>4</sub></small> FHNs is superior to that of the single components Bi<small><sub>2</sub></small>WO<small><sub>6</sub></small> and Co<small><sub>3</sub></small>O<small><sub>4</sub></small>, with a T<small><sub>90</sub></small> of toluene at 130 °C under light irradiation. The excellent catalytic activity and stability of Bi<small><sub>2</sub></small>WO<small><sub>6</sub></small>/Co<small><sub>3</sub></small>O<small><sub>4</sub></small> FHNs are attributable to the distinctive heterojunction interface and the augmented photothermal synergistic effect. The establishment of the p–n heterojunction significantly modifies the electronic structure of the catalyst surface and increases the surface adsorbed oxygen content, which is favourable for the creation of active oxygen. Under light irradiation, the p–n heterojunction can enhance light absorption, charge generation, and light-to-heat conversion capabilities, further boosting the photothermocatalytic degradation performance of toluene. This research provides novel perspectives for exploring and developing high-performance photothermal catalysts for VOC degradation.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 3","pages":" 1273-1284"},"PeriodicalIF":2.5,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145993685","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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New Journal of Chemistry
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