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Comprehensive consideration of screening fluoride electrolyte for electrodeposition of rare earth cerium 全面考虑筛选用于稀土铈电沉积的氟化物电解质
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-17 DOI: 10.1016/j.colsurfa.2024.135769
Jing Pan , Yongde Yan , Yuan Deng , Xuepeng Wang , Li Ding , Xin Kong , Yun Xue , Fuqiu Ma , Kai Zhu , Wei Liu
Molten salt is an indispensable medium for the electrochemical extraction of rare earth metal cerium (Ce). However, the existing molten salt system is incapable of meeting the low-cost requirement of industrial production. The selection of molten salt electrolyte is closely related to its thermodynamic properties and its influence on electrolytic extraction in terms of electrochemical reaction and kinetics. Herein, the constructed potential fluoride electrolyte systems (CeF3-LiF-BaF2, CeF3-LiF-NaF, CeF3-LiF-KF, and CeF3-LiF-NaF-KF melts) were systematically investigated with respect to theoretical electrochemical window, exchange current density at the molten salt/electrode interface during electrolytic reduction, and the effect of density in rare earth deposition. From a comprehensive point of view, the choice of molten salt system for electrolysis should combine the electrochemical reaction properties of rare earth metal ions in it and the physicochemical properties of the molten salt itself. The CeF3-LiF-BaF2 electrolyte was considered as the most promising molten salt system due to its various outstanding parameters (diffusion coefficients: 6.74×10−7 cm2 s−1, exchange current density: 0.649 A cm−2, density: 4.046 g·cm−3). This work provides new insights into fluoride electrolyte design screening.
熔盐是电化学提取稀土金属铈(Ce)不可或缺的介质。然而,现有的熔盐系统无法满足工业生产的低成本要求。熔盐电解质的选择与其热力学性质及其在电化学反应和动力学方面对电解萃取的影响密切相关。本文系统研究了所构建的潜在氟化物电解质体系(CeF3-LiF-BaF2、CeF3-LiF-NaF、CeF3-LiF-KF 和 CeF3-LiF-NaF-KF 熔体)的理论电化学窗口、电解还原过程中熔盐/电极界面的交换电流密度以及密度对稀土沉积的影响。综合来看,电解熔盐体系的选择应结合其中稀土金属离子的电化学反应特性和熔盐本身的物理化学特性。CeF3-LiF-BaF2 电解质因其各种优异的参数(扩散系数:6.74×10-7 cm2)而被认为是最有前途的熔盐体系:6.74×10-7 cm2 s-1,交换电流密度:0.649 A cm-2,密度:4.046 g-cm-34.046 g-cm-3)。这项工作为氟化物电解质的设计筛选提供了新的见解。
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引用次数: 0
Synergistic effects of mediated by different 1,2-epoxybutane addition numbers butoxylated alkyl block alcohol ethers and SDS in mixed systems 不同 1,2-epoxybutane 加成数介导的丁氧基化烷基嵌段醇醚和 SDS 在混合体系中的协同效应
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-14 DOI: 10.1016/j.colsurfa.2024.135753
Fengqin Li , Jingjie Zhou , Jinyuan Sun , Huibin Liang , Ke Zhang , Yuqi Liu , Chunyu Wang , Tao Geng
In this study, nonionic surfactant butoxylated alkyl block ether (AE9Bn) and anionic surfactant sodium dodecyl sulphate (SDS) with different BO additions were mixed at different molar ratios to make a hybrid system. The interaction parameters and aggregation behaviors of the blended systems were investigated by observing the average direct particle drop distribution and microscopic aggregates in combination with the results of static surface tension tests of the blended systems. The diffusion process of the mixed systems was investigated using dynamic surface tension tests. The dynamic contact angle and foam properties of the solutions of the mixed systems were also studied. Finally, based on the experimental results, it was concluded that the mixed system of AE9Bn (n=2,5) and SDS formed a synergistic effect that significantly led to a decrease in CMC, with an increase in the number of BO additions leading to a more significant decrease in CMC. The mixed system is a non-ideal mixed system, which is consistent with the kinetic mechanism of mixing and diffusion. The hybrid system has good aggregation pattern and wetting diffusion behavior and has low foam stability due to slow maturation of Ostwald.
本研究将非离子表面活性剂丁氧基化烷基封端醚(AE9Bn)和阴离子表面活性剂十二烷基硫酸钠(SDS)以不同的摩尔比混合制成混合体系。通过观察混合体系的平均直接粒滴分布和微观聚集情况,并结合混合体系的静态表面张力测试结果,研究了混合体系的相互作用参数和聚集行为。利用动态表面张力测试研究了混合体系的扩散过程。此外,还研究了混合体系溶液的动态接触角和泡沫特性。最后,根据实验结果得出结论:AE9Bn(n=2,5)和 SDS 的混合体系形成了协同效应,显著导致 CMC 下降,BO 添加量的增加导致 CMC 下降更显著。混合体系为非理想混合体系,符合混合和扩散的动力学机制。混合体系具有良好的聚集模式和润湿扩散行为,但由于奥斯特瓦尔德成熟缓慢,泡沫稳定性较低。
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引用次数: 0
Construction of BaTiO3/g-C3N4 S-type heterojunctions for photocatalytic degradation of Tetracycline 构建用于光催化降解四环素的 BaTiO3/g-C3N4 S 型异质结
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-13 DOI: 10.1016/j.colsurfa.2024.135761
Fengchen Zhang , Yihua Sun , Dong Zhang , Zhe Chen , Feilong Liu , Ye Yuan , Sheng Liu
Tetracycline, one of the antibiotics, is widely used in a number of fields, and residual Tetracycline in the environment can be a serious threat to the safety of environmental ecosystems. In this paper, a series of BaTiO3/g-C3N4 composite photocatalysts were designed and synthesized by a combination of solvent volatilization and high-temperature thermal polymerization using BaTiO3 and g-C3N4 as raw materials. Construction of S-type heterojunction between BaTiO3 and g-C3N4 lead to the formation of built-in electric field synergistically with BaTiO3 own ferroelectric polarization to promote the separation efficiency of photogenerated electron-hole pairs. When Tetracycline was used as the target pollutant, the degradation rate of the BTO900,2/CN catalyst was 91.88 %, which was 142.73 times higher than the 7 % of BaTiO3, which was a significant improvement over the photocatalytic performances of both BaTiO3 and g-C3N4. This provides new ideas for studying BaTiO3-based photocatalyst materials with high photogenerated carrier separation efficiency.
四环素是抗生素之一,被广泛应用于多个领域,环境中残留的四环素会严重威胁环境生态系统的安全。本文以 BaTiO3 和 g-C3N4 为原料,通过溶剂挥发和高温热聚合相结合的方法,设计合成了一系列 BaTiO3/g-C3N4 复合光催化剂。在 BaTiO3 和 g-C3N4 之间构建 S 型异质结,可与 BaTiO3 自身的铁电极化协同形成内置电场,提高光生电子-空穴对的分离效率。当以四环素为目标污染物时,BTO900,2/CN 催化剂的降解率为 91.88%,是 BaTiO3 7% 的 142.73 倍,比 BaTiO3 和 g-C3N4 的光催化性能都有显著提高。这为研究光生载流子分离效率高的 BaTiO3 基光催化剂材料提供了新思路。
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引用次数: 0
Enhanced anodic performance of CTF0 monolayer for Li-ion batteries through F and Si co-doping: A DFT insight 通过掺杂 F 和 Si 增强 CTF0 单层在锂离子电池中的阳极性能:DFT 深入分析
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.colsurfa.2024.135752
Sadegh Kaviani, Aigul Shamsieva, Irina Piyanzina, Dmitrii A. Tayurskii, Oleg V. Nedopekin
Covalent triazine frameworks (CTFs) have been identified as promising electrode materials for Li-ion batteries (LIBs) because of their high surface area, adjustable conjugated structures, and good chemical/thermal stability. However, their low electrical conductivity limits electron and ion conduction, leading to poor electrochemical performance. In this work, a novel CTF-based monolayer, namely F and Si co-doped CTF0 (F,Si-CTF0), was designed using density functional theory (DFT) calculations. The results demonstrated that the co-doping of F and Si atoms on the CTF0 surface creates more accessible adsorption sites for Li-ion adsorption. The energy analysis confirmed the stability of the F,Si-CTF0 monolayer, which exhibits a notable adsorption energy of −3.53 eV for Li-ion. The F,Si-CTF0 monolayer can accommodate five Li-ions, providing a theoretical specific capacity of 462 mAh g−1 and a positive redox potential of 2.57 V. adsorption of Li ions on the F,Si-CTF0 monolayer leads to a transition from a semiconducting to a metallic state, resulting in a notable enhancement in electronic conductivity. Moreover, the monolayer undergoes minor lattice variations (1.3 %) throughout the lithiation/delithiation process, demonstrating excellent cycling performance. Finally, Li-ion diffuses rapidly on the monolayer surface with a very small diffusion energy barrier of 0.078 eV. The findings suggest that the F,Si-CTF0 monolayer can be used as a viable anode material in next-generation LIBs. This research shows that F and Si co-doping is an effective and viable strategy for designing two-dimensional CTF-based materials as efficient electrodes for LIBs.
共价三嗪框架(CTFs)因其高比表面积、可调共轭结构和良好的化学/热稳定性,已被确定为锂离子电池(LIBs)的理想电极材料。然而,它们的低导电性限制了电子和离子的传导,导致电化学性能低下。在这项工作中,利用密度泛函理论(DFT)计算设计了一种新型的基于 CTF 的单层,即 F 和 Si 共掺杂 CTF0(F,Si-CTF0)。结果表明,F 原子和 Si 原子在 CTF0 表面的共掺杂为锂离子吸附创造了更多的吸附位点。能量分析证实了 F、Si-CTF0 单层的稳定性,它对锂离子的吸附能量显著为 -3.53 eV。Fi-Si-CTF0 单层可容纳五个锂离子,理论比容量为 462 mAh g-1,正氧化还原电位为 2.57 V。此外,在整个锂化/去锂化过程中,单层的晶格变化很小(1.3%),显示出卓越的循环性能。最后,锂离子在单层表面快速扩散,扩散能垒非常小,仅为 0.078 eV。研究结果表明,F、Si-CTF0 单层可用作下一代 LIB 的阳极材料。这项研究表明,F 和 Si 共掺杂是设计二维 CTF 基材料作为 LIB 高效电极的有效可行策略。
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引用次数: 0
Atom-level local structures of a ternary composite of cellulose and metal (hydro)oxides and its applications on lead ion capture 纤维素和金属(氢)氧化物三元复合材料的原子级局部结构及其在铅离子捕获中的应用
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.colsurfa.2024.135749
Xin-Yu You , Yu-Jie Zhang , Long-Xiao Gu , Zi-Xiong Zhou , Nian-Dan Zhao , Yuan-Ru Guo , Shujun Li , Qing-Jiang Pan
Discharging of lead-contained sewage has posed great threats to the ecological environment and human being health. To effectively eliminate Pb2+, a ternary composite cellulose/zinc oxide/magnesium hydroxide (labelled as CelZnMg) was prepared by a simple hydrothermal method. The XRD, SEM, TEM and XPS were applied to analyze CelZnMg. It shows that ZnO particles and Mg(OH)2 sheet uniformly distribute on the surface of cellulose. Comprehensive density functional theory calculations realize that the composite has four structural arrangements at the atomic level. Its three components are chemically coupled, which in return stabilize the whole composite. Computationally and experimentally, CelZnMg can separate Pb2+ ions from water and immobilize them on the composite surface, where the removal efficiency reaches 99.7 %. The removal mechanism has been proposed.
含铅污水的排放对生态环境和人类健康造成了巨大威胁。为有效消除 Pb2+,采用简单的水热法制备了纤维素/氧化锌/氢氧化镁三元复合材料(CelZnMg)。应用 XRD、SEM、TEM 和 XPS 对 CelZnMg 进行了分析。结果表明,氧化锌颗粒和 Mg(OH)2 片均匀地分布在纤维素表面。综合密度泛函理论计算表明,该复合材料在原子水平上有四种结构排列。它的三种成分通过化学耦合,从而稳定了整个复合材料。通过计算和实验,CelZnMg 能将 Pb2+ 离子从水中分离出来并固定在复合材料表面,其去除效率达到 99.7%。研究还提出了去除机制。
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引用次数: 0
Utilization of Y-MOF-derived Y2O3/YS@C heterojunction for Li-S battery separators 利用 Y-MOF 衍生的 Y2O3/YS@C 异质结制造锂-S 电池隔膜
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.colsurfa.2024.135750
Xinye Qian, Hexiang Xu, Shuailong Zhao, Qingyuan Hao, Lina Jin, Baozhong Li
Due to its exceptional energy density and specific capacity, the lithium-sulfur battery is considered one of the most promising energy storage devices. However, the practical use of Li-S batteries is significantly hindered by both the shuttle effect and slow conversion of polysulfides. In order to address the shuttle effect of polysulfides, we utilized a Y-MOF derivative Y2O3/YS@C composite material as a modifier layer for Li-S battery separators. Initially, we synthesized Y-MOF by reacting tetra-hydroxyacetate yttrium and isophthalic acid in a solution. Subsequently, we sulfurized the Y-MOF precursor with thioacetamide and heat-treated it at high temperature to obtain Y2O3/YS@C composite material. The strong affinity of metal sulfides for sulfur provides chemical anchoring ability for polysulfide, while the heterogeneous structure can couple non-homogeneous regions together to produce synergistic effects and better catalyze polysulfides. By using Y2O3/YS@C as a separator modifier, we effectively suppressed the shuttle effect of polysulfides and improved electrochemical performance. At 3 mg cm−2 sulfur loading, the initial discharge specific capacity of the Y2O3/YS@C separator at 0.5 C was 966.1 mAh g−1; after 400 cycles, it still maintained a discharge specific capacity of 530.5 mAh g−1 with a capacity retention rate of 54.9 %. When increasing sulfur loading to 5 mg cm−2, the first-cycle discharge specific capacity at 0.l C was 831.4 mAh g−1; after 100 cycles, it was still 738.7 mAh g−1, with a capacity retention rate of 88.8 %.
由于锂硫电池具有出色的能量密度和比容量,因此被认为是最有前途的储能设备之一。然而,多硫化物的穿梭效应和缓慢转化大大阻碍了锂硫电池的实际应用。为了解决多硫化物的穿梭效应,我们利用 Y-MOF 衍生物 Y2O3/YS@C 复合材料作为锂-S 电池隔膜的改性层。首先,我们将四羟基乙酸钇和间苯二甲酸在溶液中反应合成 Y-MOF。随后,我们用硫代乙酰胺对 Y-MOF 前驱体进行硫化,并对其进行高温热处理,得到 Y2O3/YS@C 复合材料。金属硫化物对硫的强亲和力为多硫化物提供了化学锚定能力,而异质结构则能将非异质区域耦合在一起,产生协同效应,更好地催化多硫化物。通过使用 Y2O3/YS@C 作为分离改性剂,我们有效地抑制了多硫化物的穿梭效应,提高了电化学性能。当硫含量为 3 mg cm-2 时,Y2O3/YS@C 分离剂在 0.5 C 下的初始放电比容量为 966.1 mAh g-1;经过 400 个循环后,其放电比容量仍保持在 530.5 mAh g-1,容量保持率为 54.9%。当硫含量增加到 5 mg cm-2 时,在 0.l C 下的第一周期放电比容量为 831.4 mAh g-1;100 个周期后,比容量仍为 738.7 mAh g-1,容量保持率为 88.8%。
{"title":"Utilization of Y-MOF-derived Y2O3/YS@C heterojunction for Li-S battery separators","authors":"Xinye Qian,&nbsp;Hexiang Xu,&nbsp;Shuailong Zhao,&nbsp;Qingyuan Hao,&nbsp;Lina Jin,&nbsp;Baozhong Li","doi":"10.1016/j.colsurfa.2024.135750","DOIUrl":"10.1016/j.colsurfa.2024.135750","url":null,"abstract":"<div><div>Due to its exceptional energy density and specific capacity, the lithium-sulfur battery is considered one of the most promising energy storage devices. However, the practical use of Li-S batteries is significantly hindered by both the shuttle effect and slow conversion of polysulfides. In order to address the shuttle effect of polysulfides, we utilized a Y-MOF derivative Y<sub>2</sub>O<sub>3</sub>/YS@C composite material as a modifier layer for Li-S battery separators. Initially, we synthesized Y-MOF by reacting tetra-hydroxyacetate yttrium and isophthalic acid in a solution. Subsequently, we sulfurized the Y-MOF precursor with thioacetamide and heat-treated it at high temperature to obtain Y<sub>2</sub>O<sub>3</sub>/YS@C composite material. The strong affinity of metal sulfides for sulfur provides chemical anchoring ability for polysulfide, while the heterogeneous structure can couple non-homogeneous regions together to produce synergistic effects and better catalyze polysulfides. By using Y<sub>2</sub>O<sub>3</sub>/YS@C as a separator modifier, we effectively suppressed the shuttle effect of polysulfides and improved electrochemical performance. At 3 mg cm<sup>−2</sup> sulfur loading, the initial discharge specific capacity of the Y<sub>2</sub>O<sub>3</sub>/YS@C separator at 0.5 C was 966.1 mAh g<sup>−1</sup>; after 400 cycles, it still maintained a discharge specific capacity of 530.5 mAh g<sup>−1</sup> with a capacity retention rate of 54.9 %. When increasing sulfur loading to 5 mg cm<sup>−2</sup>, the first-cycle discharge specific capacity at 0.l C was 831.4 mAh g<sup>−1</sup>; after 100 cycles, it was still 738.7 mAh g<sup>−1</sup>, with a capacity retention rate of 88.8 %.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"705 ","pages":"Article 135750"},"PeriodicalIF":4.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Synergistic degradation and ecotoxicology assessment of tetracycline by II-scheme Cu3BiS3/Bi2Fe4O9 photocatalytic activation of peroxymonosulfate 过硫酸盐的 II 型 Cu3BiS3/Bi2Fe4O9 光催化活化对四环素的协同降解和生态毒理学评估
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.colsurfa.2024.135757
Jie Liu , Junjie Ma , Ning Ding , Hong Liu
<div><div>The increasing reliance on antibiotics in recent years has led to the growing overuse of antibiotics, and tetracycline (TC) is a widely used antibiotic. In this study, a hierarchical configuration system was constructed by combining <span><math><mrow><mi>C</mi><msub><mrow><mi>u</mi></mrow><mrow><mn>3</mn></mrow></msub><mi>B</mi><mi>i</mi><msub><mrow><mi>S</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span> and <span><math><mrow><mi>B</mi><msub><mrow><mi>i</mi></mrow><mrow><mn>2</mn></mrow></msub><mi>F</mi><msub><mrow><mi>e</mi></mrow><mrow><mn>4</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>9</mn></mrow></msub></mrow></math></span> for the study of photocatalytic activation of persulfate degradation of TC, and its photocatalytic performance on TC was fully evaluated. Results found that <span><math><mrow><mi>B</mi><msub><mrow><mi>i</mi></mrow><mrow><mn>2</mn></mrow></msub><mi>F</mi><msub><mrow><mi>e</mi></mrow><mrow><mn>4</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>9</mn></mrow></msub></mrow></math></span> and <span><math><mrow><mi>C</mi><msub><mrow><mi>u</mi></mrow><mrow><mn>3</mn></mrow></msub><mi>B</mi><mi>i</mi><msub><mrow><mi>S</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span> formed a type-II heterojunction, which inhibited the complexation of photogenerated carriers and synergized with peroxymonosulfate (PMS) to promote the generation of reactive radicals and thus enhance the photocatalytic effect. Also, in the photocatalytic activation of persulfate system<span><math><mrow><mi>C</mi><msub><mrow><mi>u</mi></mrow><mrow><mn>3</mn></mrow></msub><mi>B</mi><mi>i</mi><msub><mrow><mi>S</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span>/<span><math><mrow><mi>B</mi><msub><mrow><mi>i</mi></mrow><mrow><mn>2</mn></mrow></msub><mi>F</mi><msub><mrow><mi>e</mi></mrow><mrow><mn>4</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>9</mn></mrow></msub></mrow></math></span>/PMS/ visible (Vis), the best catalytic performance of 12.5 %<span><math><mrow><mi>C</mi><msub><mrow><mi>u</mi></mrow><mrow><mn>3</mn></mrow></msub><mi>B</mi><mi>i</mi><msub><mrow><mi>S</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span>/<span><math><mrow><mi>B</mi><msub><mrow><mi>i</mi></mrow><mrow><mn>2</mn></mrow></msub><mi>F</mi><msub><mrow><mi>e</mi></mrow><mrow><mn>4</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>9</mn></mrow></msub></mrow></math></span> was achieved when the catalyst injection was 0.3 g/L, the concentration of TC was 20 mg/L, the concentration of PMS was 1 mmol/L, and the pH=6.5, which degraded 97.9 % of TC within 60 min. The 12.5 % <span><math><mrow><mi>C</mi><msub><mrow><mi>u</mi></mrow><mrow><mn>3</mn></mrow></msub><mi>B</mi><mi>i</mi><msub><mrow><mi>S</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span>/<span><math><mrow><mi>B</mi><msub><mrow><mi>i</mi></mrow><mrow><mn>2</mn></mrow></msub><mi>F</mi><msub><mrow><mi>e</mi></mrow><mrow><mn>4</mn></mrow></msub><
近年来,人们对抗生素的依赖性不断增加,导致抗生素的过度使用日益严重,而四环素(TC)是一种广泛使用的抗生素。本研究通过结合 Cu3BiS3 和 Bi2Fe4O9 构建了一个分层构型体系,用于研究光催化活化过硫酸盐降解 TC,并全面评价了其对 TC 的光催化性能。结果发现,Bi2Fe4O9 和 Cu3BiS3 形成了 II 型异质结,抑制了光生载流子的络合,并与过硫酸盐(PMS)协同促进了活性自由基的生成,从而增强了光催化效果。此外,在过硫酸盐体系Cu3BiS3/Bi2Fe4O9/PMS/可见光(Vis)的光催化活化中,当催化剂注入量为 0.3 g/L、TC 浓度为 20 mg/L、PMS 浓度为 1 mmol/L、pH=6.5 时,12.5 %Cu3BiS3/Bi2Fe4O9 的催化性能最佳,在 60 min 内降解了 97.9 % 的 TC。12.5%Cu3BiS3/Bi2Fe4O9/PMS/Vis体系的活性物质为SO4-->O2-->h+>O12>-OH。此外,还提出了 Cu3BiS3/Bi2Fe4O9/PMS/Vis 体系降解 TC 的机理和途径,并利用毒性估算软件工具(TEST)进行毒性估算,证明该体系可实现 TC 的安全转化。
{"title":"Synergistic degradation and ecotoxicology assessment of tetracycline by II-scheme Cu3BiS3/Bi2Fe4O9 photocatalytic activation of peroxymonosulfate","authors":"Jie Liu ,&nbsp;Junjie Ma ,&nbsp;Ning Ding ,&nbsp;Hong Liu","doi":"10.1016/j.colsurfa.2024.135757","DOIUrl":"10.1016/j.colsurfa.2024.135757","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The increasing reliance on antibiotics in recent years has led to the growing overuse of antibiotics, and tetracycline (TC) is a widely used antibiotic. In this study, a hierarchical configuration system was constructed by combining &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;9&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; for the study of photocatalytic activation of persulfate degradation of TC, and its photocatalytic performance on TC was fully evaluated. Results found that &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;9&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; formed a type-II heterojunction, which inhibited the complexation of photogenerated carriers and synergized with peroxymonosulfate (PMS) to promote the generation of reactive radicals and thus enhance the photocatalytic effect. Also, in the photocatalytic activation of persulfate system&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;/&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;9&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;/PMS/ visible (Vis), the best catalytic performance of 12.5 %&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;/&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;9&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; was achieved when the catalyst injection was 0.3 g/L, the concentration of TC was 20 mg/L, the concentration of PMS was 1 mmol/L, and the pH=6.5, which degraded 97.9 % of TC within 60 min. The 12.5 % &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;/&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"705 ","pages":"Article 135757"},"PeriodicalIF":4.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Diphenyl disulfide derivatives as high-efficiency corrosion inhibitors for copper in sulfuric acid: Experimental and theoretical studies 二苯基二硫化物衍生物作为硫酸中铜的高效缓蚀剂:实验和理论研究
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.colsurfa.2024.135751
Tong Zhao, Lian Zhou, Zhefeng Li, Zhiyong Wang, Bo Shang
Three organic small molecules, namely Diphenyl disulfide (PDS), 4,4′-Dithiodianiline (DDA), and 4-Methylphenyl disulfide (MDS), were subjected to corrosion screening on copper substrates. Electrochemical testing revealed their corrosion efficacy, with MDS exhibiting the highest efficiency at 98.9 %. Investigation into MDS's corrosion mechanism attributed its superior performance to the presence of hydrophobic methyl groups, facilitating the formation of a denser molecular protective film on the copper surface. The adsorption of corrosion inhibitors on copper surfaces was investigated by Langmuir monolayer adsorption model and X-ray photoelectron spectroscopy. Theoretical calculations further elucidated the inhibitory mechanisms of these sulfurized compounds and the influence of different functional groups on corrosion efficiency. Specifically, the introduction of methyl groups enhanced MDS's ability to displace water molecules on the copper surface, thereby augmenting its corrosion inhibition potential. These findings align with the observations from electrochemical and surface analyses, affirming the efficacy of MDS in mitigating copper corrosion.
对三种有机小分子,即二苯基二硫化物(PDS)、4,4′-二硫代二苯胺(DDA)和 4-甲基苯基二硫化物(MDS)进行了铜基底腐蚀筛选。电化学测试显示了它们的腐蚀效率,其中 MDS 的腐蚀效率最高,达到 98.9%。对 MDS 腐蚀机理的研究表明,其优异的性能归因于疏水甲基的存在,这有利于在铜表面形成更致密的分子保护膜。朗缪尔单层吸附模型和 X 射线光电子能谱研究了铜表面对缓蚀剂的吸附。理论计算进一步阐明了这些硫化化合物的抑制机制以及不同官能团对腐蚀效率的影响。具体来说,甲基的引入增强了 MDS 置换铜表面水分子的能力,从而提高了其缓蚀潜力。这些发现与电化学和表面分析的观察结果一致,肯定了 MDS 在减轻铜腐蚀方面的功效。
{"title":"Diphenyl disulfide derivatives as high-efficiency corrosion inhibitors for copper in sulfuric acid: Experimental and theoretical studies","authors":"Tong Zhao,&nbsp;Lian Zhou,&nbsp;Zhefeng Li,&nbsp;Zhiyong Wang,&nbsp;Bo Shang","doi":"10.1016/j.colsurfa.2024.135751","DOIUrl":"10.1016/j.colsurfa.2024.135751","url":null,"abstract":"<div><div>Three organic small molecules, namely Diphenyl disulfide (PDS), 4,4′-Dithiodianiline (DDA), and 4-Methylphenyl disulfide (MDS), were subjected to corrosion screening on copper substrates. Electrochemical testing revealed their corrosion efficacy, with MDS exhibiting the highest efficiency at 98.9 %. Investigation into MDS's corrosion mechanism attributed its superior performance to the presence of hydrophobic methyl groups, facilitating the formation of a denser molecular protective film on the copper surface. The adsorption of corrosion inhibitors on copper surfaces was investigated by Langmuir monolayer adsorption model and X-ray photoelectron spectroscopy. Theoretical calculations further elucidated the inhibitory mechanisms of these sulfurized compounds and the influence of different functional groups on corrosion efficiency. Specifically, the introduction of methyl groups enhanced MDS's ability to displace water molecules on the copper surface, thereby augmenting its corrosion inhibition potential. These findings align with the observations from electrochemical and surface analyses, affirming the efficacy of MDS in mitigating copper corrosion.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"705 ","pages":"Article 135751"},"PeriodicalIF":4.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142654022","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Facile microwave-assisted growth of 3D ZnVO nanomarbles on graphene oxide nanosheets for simultaneous detection of ascorbic acid, dopamine, and uric acid 微波辅助在氧化石墨烯纳米片上生长三维氧化锌纳米大理石,用于同时检测抗坏血酸、多巴胺和尿酸
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.colsurfa.2024.135756
Muhammad Bilal , Zia Ur Rehman , Faheem K. Butt , Kewang Zheng , Chengyin Wang , Jianhua Hou
Simultaneous detection of ascorbic acid (AA), dopamine (DA), and uric acid (UA) is challenging due to close oxidation potential. These biomolecules lie in the human body and have significant roles in many psychological reactions. A slight change in the concentration of these molecules can cause serious health issues; in this context, accurate and timely detection holds significant value in clinical diagnostics. This work demonstrates the synthesis of 3D zinc nanomarbles on 2D graphene oxide sheets using a rapid and environmentally friendly microwave-assisted technique. The porous morphology with thin nanomarbles where (2 2 0) reactive sites were exposed to the environment with enhanced surface area measured 38.29 m2 g−1. The composite ZnVO/rGO has been employed on glassy carbon electrodes, resulting in superior electrocatalytic properties that enable the simultaneous detection of these analytes with wide potential gaps. Notably, the ZnVO/rGO/GCE exhibits simultaneous detection with a working range of AA (100 µM-1000 µM), DA (10 µM-100 µM), and UA (10 µM-100 µM). The detection limits were estimated to be 4.3 µM, 0.7 µM, and 0.32 µM, respectively. The ZnVO/rGO/GCE sensor demonstrates remarkable stability, selectivity, reproducibility, and satisfactory recovery during real sample analysis. The high surface area, porous nature, and thin size of 3D nanomarbles enhance charge transportation, making it promising for electrochemical performance. This study lays the foundation for future advancements in human health monitoring by introducing a novel approach.
由于抗坏血酸 (AA)、多巴胺 (DA) 和尿酸 (UA) 的氧化潜力接近,因此同时检测这些物质具有挑战性。这些生物大分子存在于人体中,在许多心理反应中发挥着重要作用。这些分子浓度的微小变化都可能导致严重的健康问题;在这种情况下,准确及时的检测在临床诊断中具有重要价值。本研究采用快速、环保的微波辅助技术,在二维氧化石墨烯片上合成了三维纳米锌大理石。薄纳米大理石具有多孔形态,其中 (2 2 0) 反应位点暴露在环境中,表面积增加到 38.29 m2 g-1。在玻璃碳电极上使用 ZnVO/rGO 复合材料,可获得优异的电催化性能,从而能够在宽电位差条件下同时检测这些分析物。值得注意的是,ZnVO/rGO/GCE 可同时检测 AA(100 µM-1000 µM)、DA(10 µM-100 µM)和 UA(10 µM-100 µM)。检测限估计分别为 4.3 µM、0.7 µM 和 0.32 µM。在实际样品分析过程中,ZnVO/rGO/GCE 传感器表现出卓越的稳定性、选择性、再现性和令人满意的回收率。三维纳米大理石的高比表面积、多孔性和薄尺寸增强了电荷传输,使其具有良好的电化学性能。这项研究通过引入一种新方法,为未来推进人体健康监测奠定了基础。
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引用次数: 0
Fabrication of an electrochemical sensor based on Zinc Vanadate anchored with multi-walled carbon nanotubes modified glassy carbon electrode for the determination of Carbendazim 基于多壁碳纳米管修饰的玻璃碳电极锚定钒酸锌的电化学传感器的制作,用于测定多菌灵
IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.colsurfa.2024.135754
Saravana Pandi Sivaji , Kiruthika Mariappan , Tse-Wei Chen , Shen-Ming Chen , Elayappan Tamilalagan , Ju-Ching Tsai , Subramanian Sakthinathan , Dunia A. Al Farraj , M. Ajmal Ali , Mohamed Soliman Elshikh
The detection of Carbendazim (CBZ) insecticides has prompted concerns regarding their potential impacts on both human health and the environment. To address this issue, a novel nanocomposite comprising Zinc Vanadate (ZVO) was prepared using a common hydrothermal technique and incorporated with multi-walled carbon nanotube (MWCNT) to form ZVO/MWCNT nanocomposite. Thus, a glassy carbon electrode (GCE) has been modified using this ZVO/MWCNT nanocomposite, which offering a simple and affordable platform for the electrochemical detection of CBZ. The structure and composition of the nanomaterial were confirmed through various microscopic and spectroscopic techniques, while its electrochemical characteristics were investigated using electrochemical impedance spectroscopy (EIS), differential pulse voltammetry (DPV), and cyclic voltammetry (CV) techniques. The GCE/ZVO/MWCNT modified electrode exhibited a broad linear response ranging from 0.05 to 110 μM, with a low detection limit of 0.005 μM and high sensitivity (2.93 μA μM−1 cm−2), with recoveries ranging from 98 % to 99.93 %, respectively. Moreover, GCE/ZVO/MWCNT electrode demonstrated excellent stability, repeatability, and practical utility for CBZ detection. Based on electrochemical studies that indicate the formation of oxidized products consistent with a 2-electron transfer process. Therefore, this innovative GCE/ZVO/MWCNT modified electrode offers promising prospects for sensitive and selective CBZ determination, with potential applications in environmental monitoring and health protection.
多菌灵(CBZ)杀虫剂的检测引发了人们对其对人类健康和环境潜在影响的担忧。为解决这一问题,我们采用普通水热技术制备了一种新型纳米复合材料,其中包括钒酸锌(ZVO),并将其与多壁碳纳米管(MWCNT)结合形成 ZVO/MWCNT 纳米复合材料。因此,使用这种 ZVO/MWCNT 纳米复合材料对玻璃碳电极(GCE)进行了改性,为 CBZ 的电化学检测提供了一个简单、经济的平台。通过各种显微镜和光谱技术确认了纳米材料的结构和组成,并使用电化学阻抗谱(EIS)、差分脉冲伏安法(DPV)和循环伏安法(CV)技术研究了其电化学特性。经 GCE/ZVO/MWCNT 修饰的电极具有 0.05 至 110 μM 的宽线性响应,检出限低至 0.005 μM,灵敏度高(2.93 μA μM-1 cm-2),回收率为 98 % 至 99.93 %。此外,GCE/ZVO/MWCNT 电极在检测 CBZ 方面表现出卓越的稳定性、可重复性和实用性。电化学研究表明,氧化产物的形成与双电子转移过程一致。因此,这种创新的 GCE/ZVO/MWCNT 修饰电极为灵敏、选择性地测定 CBZ 提供了广阔的前景,有望应用于环境监测和健康保护领域。
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Colloids and Surfaces A: Physicochemical and Engineering Aspects
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