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Improved Adsorption of Organic Dyes onto a Polypyrrole/Tannic Acid Nanocomposite 提高聚吡咯/单宁酸纳米复合材料对有机染料的吸附能力
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1021/acs.langmuir.4c03158
Nehapadma Mohanty, Sai Sushree Rath, Braja N. Patra
Methyl orange (MO) and methylene blue (MB) dyes are toxic and carcinogenic; thus, their presence in water bodies has been a major concern. Designing an efficient adsorbent for removal of these dyes is a scientific challenge for researchers. In this work, a polypyrrole–tannic acid nanocomposite was prepared via a chemical oxidation method and used as a novel adsorbent for removing these toxic dyes. The synthesized nanocomposite was characterized by transmission electron microscopy, scanning electron microscopy, X-ray diffraction, Fourier transform infrared spectroscopy, and Brunauer–Emmett–Teller methods. The effect of different parameters on adsorption such as adsorbent doses, temperature, pH, initial dye concentration, and contact time was studied. The adsorption was in line with pseudo-second-order kinetics and the Langmuir isotherm model. ΔG°, ΔH°, and ΔS° were calculated to ascertain the feasibility of adsorption. The maximum adsorption capacities attained for this adsorbent were found to be 204.08 mg/g toward the MO dye and 217.39 mg/g toward the MB dye.
甲基橙(MO)和亚甲基蓝(MB)染料具有毒性和致癌性,因此,它们在水体中的存在一直是人们关注的焦点。设计一种高效的吸附剂来去除这些染料是研究人员面临的一项科学挑战。本研究通过化学氧化法制备了聚吡咯-单宁酸纳米复合材料,并将其用作去除这些有毒染料的新型吸附剂。通过透射电子显微镜、扫描电子显微镜、X 射线衍射、傅立叶变换红外光谱和布鲁瑙尔-艾美特-泰勒法对合成的纳米复合材料进行了表征。研究了吸附剂剂量、温度、pH 值、初始染料浓度和接触时间等不同参数对吸附的影响。吸附符合假二阶动力学和 Langmuir 等温线模型。计算了 ΔG°、ΔH° 和 ΔS°,以确定吸附的可行性。该吸附剂对 MO 染料的最大吸附容量为 204.08 毫克/克,对 MB 染料的最大吸附容量为 217.39 毫克/克。
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引用次数: 0
Swimming Modes of Bacteria Escaping from a Soft Confined Space 逃离软密封空间的细菌的游动模式
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1021/acs.langmuir.4c03808
Yangguang Tian, Xinlei Li, Yaozhen Chen, Xingbin Hu, Yanan Liu, Hao Luo, Guangyin Jing
Navigating through soft and highly confined environments is crucial for bacteria moving within living organisms’ tissues, yet this topic has been less explored. In our study, we experimentally harnessed the unique biconcave geometry of red blood cells (RBCs) to enable real-time visualization of swimming Escherichia coli interacting with soft RBCs. Our findings show that RBCs adhering to a rigid surface can enclose spaces comparable to the size of bacteria, effectively entrapping them. Remarkably, we found that bacteria can escape from this extremely confined space through three newly defined escape modes: Bundling, Unbundling, and Flipping, each mode relying on the specific states of bacterial flagella. A quantitative analysis uncovers significant differences among these modes in terms of scattering angle, escaping speed, and trapping duration. We used two methods to alter the rigidity and adhesion strength of RBCs, and we studied their effects on the detailed bacterial escape process. Our results contribute to the knowledge of bacterial migration in soft, confined spaces, thereby enhancing our understanding of similar processes in biological tissue environments.
在柔软和高度密闭的环境中穿行对于在生物体组织内移动的细菌至关重要,但对这一课题的探索却较少。在我们的研究中,我们在实验中利用红细胞(RBC)独特的双凹几何形状,实现了游动的大肠杆菌与柔软的 RBC 相互作用的实时可视化。我们的研究结果表明,附着在刚性表面上的红细胞能围成与细菌大小相当的空间,有效地将细菌困住。值得注意的是,我们发现细菌可以通过三种新定义的逃逸模式从这个极其封闭的空间中逃逸出来:每种模式都依赖于细菌鞭毛的特定状态。定量分析发现了这些模式在散射角、逃逸速度和捕获持续时间方面的显著差异。我们使用了两种方法来改变 RBC 的刚性和粘附强度,并研究了它们对细菌逃逸过程的具体影响。我们的研究结果有助于了解细菌在柔软密闭空间中的迁移过程,从而加深我们对生物组织环境中类似过程的理解。
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引用次数: 0
Coarse-Grained Modeling of the Water/Alkane Wetting and Dewetting Processes on Fluorinated Coatings 氟化涂层上水/烷烃润湿和脱水过程的粗粒度建模
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1021/acs.langmuir.4c01560
Panagiotis C Petris, Georgiy Teverovskiy, Richard Ross, Augustinus J.M Sweere, Jan-Willem Handgraaf
This work provides a framework to digitally assess any droplet’s static and dynamic contact angles on coatings and polymeric substrates. We are introducing a new dissipative particle dynamics coarse-grained model to attain the spatiotemporal conditions and the coexistence of different phases that such investigation dictates. Two computational techniques are additionally developed; a robust technique to calculate the static contact angle using density profiles and a perturbation method to evaluate dynamic contact angles. A parallel force to the surface force is applied to emulate the receding and advancing dynamics. We have validated our protocols for the static contact angle of water for a series of polymeric surfaces and the dynamic contact angle for three different fluorinated additives. We reproduced the correct hysteresis trends between the droplet content and the surface. The fluorinated nature of the additive’s tails is the driving force of directed self-assembly and, consequently, the repelling nature of the surface. An equally important factor for designating the interaction profile of the surface is the coating’s chemical structure, which is responsible for inhibiting or favoring the aqueous media interaction.
这项工作提供了一个框架,可以对任何液滴在涂层和聚合物基材上的静态和动态接触角进行数字化评估。我们引入了一种新的耗散粒子动力学粗粒度模型,以实现此类研究所要求的时空条件和不同阶段的共存。此外,我们还开发了两种计算技术:一种是利用密度曲线计算静态接触角的稳健技术,另一种是评估动态接触角的扰动方法。通过施加与表面力平行的力来模拟后退和前进的动态。我们对一系列聚合物表面的水静态接触角和三种不同含氟添加剂的动态接触角进行了验证。我们再现了液滴含量与表面之间正确的滞后趋势。添加剂尾部的含氟性质是定向自组装的驱动力,因此也是表面排斥性质的驱动力。涂层的化学结构也是决定表面相互作用曲线的一个重要因素,它能抑制或促进水介质的相互作用。
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引用次数: 0
Exploring MoS2 Growth: A Comparative Study of Atmospheric and Low-Pressure CVD 探索 MoS2 的生长:大气和低压 CVD 比较研究
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1021/acs.langmuir.4c03567
Hemanth Kumar Paidi, Rishitha Mudunuri, Deepu J. Babu
Transition-metal dichalcogenides (TMDs), in particular MoS2, have garnered a lot of interest due to their unique properties and potential applications. Chemical vapor deposition (CVD) is generally used to synthesize 2D films of MoS2. The synthesis of MoS2 is highly sensitive to growth parameters such as temperature, pressure, flow rate, precursor ratio, etc. Though there are several accounts of MoS2 synthesis via atmospheric-pressure CVD (APCVD) and low-pressure CVD (LPCVD), there is a lack of a comparative analysis between the two methods, which could potentially offer a better perspective on the growth of MoS2. This work systematically investigates the growth of MoS2 under APCVD and LPCVD conditions. The APCVD growth of MoS2 is found to be diffusion-limited, leading to the characteristic triangular morphology, while the LPCVD growth is reaction-limited. The enhanced mass flux in LPCVD, even at much lower temperatures (ΔT ≥ 200 °C), increases the nucleation density, resulting in a continuous polycrystalline film covering the entire substrate. This comparative study provides a better insight into understanding the crystallization and growth of MoS2, which can also be extended to other TMDs.
过渡金属二钙化物(TMD),尤其是 MoS2,因其独特的性质和潜在的应用而备受关注。化学气相沉积(CVD)通常用于合成 MoS2 的二维薄膜。MoS2 的合成对温度、压力、流速、前驱体比例等生长参数非常敏感。虽然有一些关于通过常压 CVD(APCVD)和低压 CVD(LPCVD)合成 MoS2 的报道,但缺乏对这两种方法的比较分析,而这两种方法有可能为 MoS2 的生长提供更好的视角。这项工作系统地研究了在 APCVD 和 LPCVD 条件下生长 MoS2 的情况。研究发现,MoS2 的 APCVD 生长是扩散受限的,从而导致了特征性的三角形形态,而 LPCVD 生长则是反应受限的。即使在更低的温度下(ΔT ≥ 200 °C),LPCVD 中增强的质量通量也会增加成核密度,从而形成覆盖整个基底的连续多晶薄膜。这项比较研究为理解 MoS2 的结晶和生长提供了一个更好的视角,也可以推广到其他 TMD。
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引用次数: 0
An in Silico Investigation into Polyester Adsorption onto Alumina toward an Improved Understanding of Hydrogenolysis Catalysts 聚酯在氧化铝上吸附的硅学研究有助于更好地了解氢解催化剂
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-20 DOI: 10.1021/acs.langmuir.4c03679
Ziyue Dong, Erin E. Dunphy, Aidan B. Wegner, J. Will Medlin, Michael F. Toney, Kayla G. Sprenger
Chemical recycling of end-of-life plastic wastes through hydrogenolysis is a promising pathway for achieving a circular plastics economy and reducing overall energy costs. Understanding molecular interactions at the inorganic–organic depolymerization interface is crucial for enhancing catalyst performance and overcoming challenges posed by mixed plastic waste streams. We investigated a fundamental step in the depolymerization process: physisorption of polymers onto the metal oxide support preceding diffusion to and reaction at the catalyst–support junction. Molecular dynamics simulations, augmented with well-tempered metadynamics, were conducted to explore the adsorption of polylactic acid (PLA) and polyethylene terephthalate (PET) oligomers onto a hydroxylated alumina support surface. Our findings revealed multiple layers of highly oriented solvent molecules (1,4-dioxane) above the surface, creating significant barriers to polyester adsorption. Disrupting and displacing these solvent layers led PET oligomers to adsorb closer to and interact stronger with the surface than PLA oligomers, possibly contributing to the higher reaction temperatures needed to achieve full conversion in PET versus PLA hydrogenolysis. We further suggest an experimental approach to validate our results of solvent layering behavior through predictions of X-ray reflectivity that are consistent with our initial experiments. The insights gained in this study can be leveraged to refine our understanding of catalytic mechanisms to predict depolymerization reactivity and selectivity and improve future hydrogenolysis catalyst designs.
通过氢解对报废塑料废料进行化学回收利用,是实现循环塑料经济和降低总体能源成本的一条大有可为的途径。了解无机-有机解聚界面上的分子相互作用对于提高催化剂性能和克服混合塑料废料流带来的挑战至关重要。我们研究了解聚过程中的一个基本步骤:聚合物在金属氧化物载体上的物理吸附,然后扩散到催化剂-载体交界处并在此发生反应。我们通过分子动力学模拟,并辅以温控元动力学,探索了聚乳酸(PLA)和聚对苯二甲酸乙二醇酯(PET)低聚物在羟基氧化铝载体表面的吸附情况。我们的研究结果表明,表面上方存在多层高度定向的溶剂分子(1,4-二氧六环),对聚酯的吸附造成了严重阻碍。破坏和置换这些溶剂层使得 PET 低聚物比 PLA 低聚物吸附得更接近表面并与表面产生更强的相互作用,这可能是 PET 与 PLA 水解过程中实现完全转化所需的反应温度较高的原因。我们进一步提出了一种实验方法,通过预测与初步实验一致的 X 射线反射率来验证溶剂分层行为的结果。本研究获得的启示可用于完善我们对催化机理的理解,从而预测解聚反应性和选择性,并改进未来的氢解催化剂设计。
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引用次数: 0
Intercalation Behavior of a Spiro-bipyrrolidinium Cation into a Graphite Electrode from Dimethyl/Propylene Carbonates. 螺双吡咯烷阳离子与二甲基/丙烯碳酸盐石墨电极的互钙化行为
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-19 Epub Date: 2024-11-05 DOI: 10.1021/acs.langmuir.4c03435
Jiaxing Qi, Hongyu Wang, Guobao Xu

Quaternary ammonium-graphite intercalation compounds (QA+-GICs) are promising negative electrode materials in dual-carbon batteries by virtue of safety, low cost, and environmental friendliness. However, the intercalation behavior of QA+ into graphite electrodes in mixed solvents has never been reported. Herein, spiro-(1,1')-bipyrrolidinium tetrafluoroborate dissolved in a dimethyl/propylene carbonate (DMC/PC) binary solvent system was employed in graphite/activated carbon (AC) capacitors. The storage behavior of the spiro-(1,1')-bipyrrolidinium cation into graphite is very related to the solvent composition of the electrolyte solutions. In situ X-ray diffraction tests revealed that the graphite electrodes can form different QA+-GICs during cycling, which is a key factor influencing the electrochemical performance of graphite/AC capacitors. Besides, the reversible thickness change of graphite in graphite/AC capacitors with different electrolytes during the charge-discharge process was also addressed. These findings provide sound evidence for the co-intercalation of the solvent with the cation.

季铵盐-石墨插层化合物(QA+-GICs)具有安全、低成本和环保等优点,是一种很有前途的双碳电池负极材料。然而,QA+ 在混合溶剂中插层到石墨电极的行为却从未被报道过。本文将溶解在二甲基/碳酸丙烯酯(DMC/PC)二元溶剂体系中的螺-(1,1')-联吡咯烷四氟硼酸盐用于石墨/活性碳(AC)电容器。螺-(1,1')-联吡咯烷阳离子在石墨中的存储行为与电解质溶液的溶剂成分密切相关。原位 X 射线衍射测试表明,石墨电极在循环过程中会形成不同的 QA+-GIC,这是影响石墨/交流电容器电化学性能的关键因素。此外,还研究了不同电解质的石墨/交流电容器在充放电过程中石墨厚度的可逆变化。这些发现为溶剂与阳离子的共掺杂提供了可靠的证据。
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引用次数: 0
Synthesis of Fe3O4 Derived from Acid Mine Drainage (AMD) Sludge and Catalytic Degradation of Tetracycline. 从酸性矿井排水(AMD)污泥中合成 Fe3O4 并催化降解四环素。
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-19 Epub Date: 2024-11-05 DOI: 10.1021/acs.langmuir.4c02959
Si Jin, Huiling Li, Jinyuan Jiang, Dongni Shi, Wei Tan, Haoyang Song, Ling Zhu, Yajun Li, Hongke Qin, Lei He

Acid mine drainage (AMD) sludge is waste generated in the process of acid mine wastewater treatment, and the use of AMD sludge to prepare Fe3O4 to activate H2O2 degradation pollutants is an effective means of resource utilization. In this study, the heterogeneous catalyst Fe3O4-based composites were synthesized by a one-step method using AMD sludge as a raw material, and the Fe3O4-based materials before and after catalysis were characterized by powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and scanning electron microscopy (SEM). The effects of several key factors (pH values, H2O2 content, TC concentration, and Fe3O4 content) of tetracycline (TC) degradation were evaluated. The results revealed that the TC removal rate reached up to 95% within 120 min under optimal conditions (pH 3; H2O2, 5 mmol/L; TC concentration, 25 mg/L; Fe3O4 content, 1g/L). Moreover, OH and O2- radicals were generated during the Fenton-like degradation process, and the plausible degradation mechanism was discussed. Besides, the Fe3O4 catalyst exhibited fantastic stability after five cycles. In conclusion, this study is expected to promote the resource utilization of industrial sludge and provide a new material for the treatment of antibiotic-contaminated wastewater.

酸性矿山排水(AMD)污泥是酸性矿山废水处理过程中产生的废弃物,利用AMD污泥制备Fe3O4活化H2O2降解污染物是一种有效的资源化利用手段。本研究以AMD污泥为原料,采用一步法合成了异相催化剂Fe3O4基复合材料,并通过粉末衍射(XRD)、傅立叶变换红外光谱(FTIR)、热重分析(TGA)和扫描电子显微镜(SEM)对催化前后的Fe3O4基材料进行了表征。评估了几个关键因素(pH 值、H2O2 含量、TC 浓度和 Fe3O4 含量)对四环素(TC)降解的影响。结果表明,在最佳条件下(pH 值为 3;H2O2 含量为 5 mmol/L;TC 浓度为 25 mg/L;Fe3O4 含量为 1g/L),TC 在 120 分钟内的去除率高达 95%。此外,在类似芬顿的降解过程中产生了-OH 和-O2-自由基,并讨论了其合理的降解机制。此外,Fe3O4 催化剂在五个循环后表现出了极高的稳定性。总之,这项研究有望促进工业污泥的资源化利用,并为抗生素污染废水的处理提供一种新材料。
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引用次数: 0
Deposition of Nanometric Polymer-Surfactant Complexes Formed by Cationic Dextran: A Path to Sustainable Formulations. 阳离子葡聚糖形成的纳米聚合物-表面活性剂复合物的沉积:通向可持续配方之路
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-19 Epub Date: 2024-11-05 DOI: 10.1021/acs.langmuir.4c02860
Hammad A Faizi, Daniel S Miller, Lyndsay Leal, Junsi Gu, Michaeleen L Pacholski, Emmett M Partain Iii, Caroline Nimako-Boateng, Janet R McMillan, Chang Qian, Zuochen Wang, Qian Chen

The home and personal care industry is evolving toward more sustainable and environmentally friendly ingredients. Rinse-off personal care products rely on formation of polymer-surfactant complexes to drive deposition of benefit agents (e.g., conditioning oils, fragrances, etc.) onto the skin or hair. The most used natural polymers for this purpose are cationic guar (catGuar) and cationic hydroxyethyl cellulose (catHEC), and the complexation of these polymers with surfactants has been rigorously characterized. Various gaps still exist with these polymers, specifically low biodegradation and undesirable aquatic toxicity profiles. Modified dextran offers an exciting solution as a biodegradable polysaccharide with a high natural origin content. This paper aims to compare the morphology of polymer-surfactant complexes formed between a cationic dextran (catDex) polymer with mixtures of sodium lauryl ether sulfate (SLES) and cocamidopropyl betaine (CapB) to the morphologies of complexes formed between catGuar or catHEC and the same surfactants. Solutions were designed to mimic industrially relevant shampoos. Through a suite of complementary techniques, unique nanometric sized complexes were observed to form between catDex-SLES/CapB compared to the widely reported micrometer-sized coacervates (liquid-liquid phase separation) or precipitates (liquid-solid) formed in catHEC or catGuar-SLES systems. Using a quartz crystal microbalance with dissipation, the adsorption behavior of the catDex-SLES/CapB is characterized on a silica-coated sensor. The results show deposition throughout the dilution regime for catDex-SLES/CapB where the highest deposition is recorded with the undiluted rinsing formulation. This contrasts with catHEC-SLES/CapB and catGuar-SLES/CapB where the highest deposition is recorded in phase-separated regimes. This result was extended to performance testing on hair, confirming that the unique complexes formed by catDex can drive remarkably high levels of silicone deposition from rinse-off personal care products. This innovative approach of utilizing catDex-SLES/CapB complexes could enable design of more sustainable formulations that rely on polycation-surfactant nanocarriers.

家居和个人护理行业正朝着更可持续、更环保的成分方向发展。冲洗型个人护理产品依靠聚合物-表面活性剂复合物的形成来推动有益成分(如护理油、香料等)在皮肤或头发上的沉积。在这方面使用最多的天然聚合物是阳离子瓜尔胶(catGuar)和阳离子羟乙基纤维素(catHEC),这些聚合物与表面活性剂的络合作用已得到严格表征。这些聚合物仍然存在各种缺陷,特别是生物降解性低和不理想的水生毒性特征。改性葡聚糖作为一种天然成分含量高的可生物降解多糖,提供了一种令人兴奋的解决方案。本文旨在比较阳离子葡聚糖(catDex)聚合物与十二烷基醚硫酸钠(SLES)和椰油酰胺丙基甜菜碱(CapB)混合物形成的聚合物-表面活性剂复合物的形态,以及 catGuar 或 catHEC 与相同表面活性剂形成的复合物的形态。这些溶液是模仿工业用洗发水设计的。通过一系列互补技术,观察到 catDex-SLES/CapB 之间形成了独特的纳米级复合物,而在 catHEC 或 catGuar-SLES 体系中形成的微米级凝聚物(液液相分离)或沉淀物(液固相分离)则被广泛报道。使用带耗散功能的石英晶体微天平,可描述 catDex-SLES/CapB 在硅涂层传感器上的吸附行为。结果显示,catDex-SLES/CapB 在整个稀释过程中都有沉积,其中未稀释冲洗配方的沉积量最高。这与 catHEC-SLES/CapB 和 catGuar-SLES/CapB 形成了鲜明对比,后者在相分离体系中的沉积量最高。将这一结果延伸到头发的性能测试中,证实了 catDex 形成的独特复合物可使冲洗型个人护理产品中的硅氧烷沉积达到极高的水平。这种利用 catDex-SLES/CapB 复合物的创新方法可以设计出依赖于多阳离子表面活性剂纳米载体的更具可持续性的配方。
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引用次数: 0
Adsorption of Orange G on Activated Porous Carbon Derived from Coal Tar Pitch: Experimental and DFT Study. 煤焦油沥青衍生的活性多孔碳对橙 G 的吸附:实验和 DFT 研究。
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-19 DOI: 10.1021/acs.langmuir.4c03157
Linlin Huang, Xuwen Zhang, Tingting Liu, Lin Wang, Lixin Li, Da Li, Tao Sheng, Zilong Dong, Xinyue Zhao

A coal tar pitch-based porous carbon adsorbent (CPA) was synthesized through a straightforward method involving the heating of a mixture of KOH and coal tar pitch (CTP). This CPA exhibited a high surface area of 1811.2 m2 g-1 and a large pore volume of 0.94 cm3 g-1 when prepared with a CTP to KOH mass ratio of 1:4 at 800 °C. Parameters such as the heating temperature and activator dose were optimized to enhance the adsorption efficiency. The prepared CPA was extensively characterized by SEM, XRD, FTIR, and BET measurements. Notably, CPA presented a distinct adsorption performance for Orange G (OG), achieving a maximum adsorption capability of 449.7 mg g-1. Kinetic studies indicated that the adsorption process followed the pseudo-second-order model, while the adsorption isotherm data demonstrated that both chemical and physical interactions favored OG adsorption. Thermodynamic analysis revealed that the adsorption of OG on CPA was spontaneous and exothermic and increased the entropy. Density functional theory (DFT) calculations provided insights into the adsorption mechanism, highlighting electrostatic interactions, hydrogen bonds, and π-π interactions as the dominant processes governing OG adsorption onto the adsorbent.

通过加热 KOH 和煤焦油沥青 (CTP) 混合物的简单方法合成了煤焦油沥青基多孔碳吸附剂 (CPA)。在 800 °C、CTP 与 KOH 的质量比为 1:4 时,这种 CPA 的表面积高达 1811.2 m2 g-1,孔隙率高达 0.94 cm3 g-1。对加热温度和活化剂剂量等参数进行了优化,以提高吸附效率。通过扫描电镜、XRD、傅立叶变换红外光谱和 BET 测量对制备的 CPA 进行了广泛表征。值得注意的是,CPA 对橙 G(OG)具有明显的吸附性能,最大吸附能力达到 449.7 mg g-1。动力学研究表明,吸附过程遵循伪二阶模型,而吸附等温线数据表明,化学和物理相互作用都有利于 OG 的吸附。热力学分析表明,OG 在 CPA 上的吸附是自发的、放热的,并增加了熵。密度泛函理论(DFT)计算深入揭示了吸附机理,突出表明静电作用、氢键和 π-π 相互作用是吸附剂吸附 OG 的主要过程。
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引用次数: 0
Effectively Improved CH4 Sensing Performance of In2O3 Porous Hollow Nanospheres by Doping with Cd. 通过掺杂镉有效提高 In2O3 多孔中空纳米球的甲烷传感性能
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-19 Epub Date: 2024-11-05 DOI: 10.1021/acs.langmuir.4c03927
Xiaohua Wang, Yanwei Li, Xinhui Jin, Guang Sun, Jianliang Cao, Yan Wang

Recently, due to the promising application of metal oxide semiconductors in high-performance methane (CH4) sensors, more attention has been paid to the development of feasible strategies for improving CH4 sensing performance. Herein, we present a strategy of cadmium (Cd) doping to improve the CH4 sensing property of In2O3 porous hollow nanospheres (PHNSs). The Cd-doped In2O3 PHNSs were prepared via an impregnation-calcination approach with self-made carbon nanospheres as a hard template. The samples were characterized by various techniques to evaluate their structure, morphology, surface state, composition, and band gap. When applied as a sensitive material in the CH4 sensor, the Cd-doped In2O3 PHNSs, compared with bare In2O3 PHNSs, showed some significant improvements in performance, especially a reduced operating temperature (200 °C vs 300 °C), an enhanced response (9.5 vs 2.5 for 500 ppm of CH4), a faster response speed (16 s vs 276 s), and better selectivity. In addition, the Cd-doped In2O3 sensor can also maintain a commendable long-term stability, and the range of its response amplitude within 30 days is only 6.3%. The sensitization effects of the Cd dopant on the In2O3 PHNSs are discussed.

近来,由于金属氧化物半导体在高性能甲烷(CH4)传感器中的应用前景广阔,人们更加关注开发提高 CH4 传感性能的可行策略。在此,我们提出了一种掺杂镉(Cd)以改善 In2O3 多孔空心纳米球(PHNSs)的 CH4 传感性能的策略。掺杂镉的 In2O3 PHNSs 是以自制的碳纳米球为硬模板,通过浸渍-煅烧方法制备的。样品的结构、形态、表面状态、成分和带隙通过各种技术进行了表征。与裸 In2O3 PHNS 相比,掺镉 In2O3 PHNS 作为敏感材料应用于 CH4 传感器时,性能有了显著改善,尤其是工作温度降低(200 ℃ 对 300 ℃)、响应增强(500 ppm 的 CH4 时为 9.5 对 2.5)、响应速度加快(16 秒对 276 秒)以及选择性提高。此外,掺镉 In2O3 传感器还能保持令人称道的长期稳定性,30 天内的响应振幅范围仅为 6.3%。本文讨论了掺杂镉对 In2O3 PHNS 的敏化效应。
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