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The Role of Bi-functional Copper Boasted Phosphotungstic Acid Catalysts Supported on Titania for Dehydration of Glycerol 双功能钛载磷钨酸铜催化剂在甘油脱水中的作用
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-02 DOI: 10.1007/s10562-025-05253-9
Balaga Viswanadham, Jhansi Pedada, V. D. B. C. Dasireddy

A copper tuned phosphotungstic acid (Cu-PTA) supported on TiO2 catalyst is found to be highly stable, active and chemo-selective dehydration of glycerol to acrolein during gas phase under atmospheric pressure. A range of catalysts was produced by adjusting the active phase of Cu-PTA loadings between 10 and 40 wt% on the titania support. The characterization data provides information of Keggin ion structure was maintained even after higher active phase loading and moderate acidity inclined with loadings. FT-IR spectra results suggest, Keggin ion was retained after regeneration of catalyst. The catalytic properties are affected by active phase Cu-PTA loading, calcination temperature, reaction temperature, glycerol concentration, time on stream and regeneration studies. The overall optimized catalysts, 30 wt% catalyst possess higher amount moderate acidic sites and total acidity results 87% acrolein selectivity with 98% glycerol conversion at 325 °C in atmospheric pressure. The regenerated catalyst exhibits similar catalytic performance compared to fresh catalyst is because of minimal change in acidity of catalyst after regeneration.

Graphical Abstract

Scheme 1: Glycerol to acrolein over Cu1.5PW12O40 / TiO2 catalyst.

负载在TiO2催化剂上的铜调谐磷钨酸(Cu-PTA)具有高稳定性、高活性和高化学选择性,可在常压下将甘油脱水为丙烯醛。通过在钛载体上调整Cu-PTA的活性相负载在10 ~ 40%之间,可以生产一系列催化剂。表征数据表明,即使在较高的活性相负载和随负载倾斜的中等酸度下,Keggin离子结构仍保持不变。FT-IR光谱结果表明,催化剂再生后Keggin离子仍有保留。催化性能受活性相Cu-PTA负载、煅烧温度、反应温度、甘油浓度、流上时间和再生研究的影响。在325℃的常压条件下,30%的催化剂具有较高的中酸性位点,总酸度使丙烯醛选择性达到87%,甘油转化率达到98%。再生后催化剂的酸性变化很小,因此与新鲜催化剂相比,再生后的催化剂具有相近的催化性能。方案1:用Cu1.5PW12O40 / TiO2催化剂催化甘油制丙烯醛。
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引用次数: 0
Catalytic Performance of the NiO-CeO2 Pellets in the Low-Temperature Water-Gas Shift Reaction NiO-CeO2球团在低温水气转换反应中的催化性能
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-01 DOI: 10.1007/s10562-025-05245-9
Chang-Jun Lee, Cheol-Hwi Ryu, Gab-Jin Hwang

A NiO-CeO2 catalyst pellet was developed for application in the low-temperature water-gas shift reaction (LT-WGSR) to facilitate hydrogen production from syngas derived from waste plastic gasification. The NiO-CeO2 catalyst powder was synthesized via a co-precipitation method and subsequently formed into pellets through compression molding. LT-WGSR performance was evaluated at CO:H2O feed ratios of 1:2 –1:4 and operating temperatures of 180–220 ℃ under a gas hourly space velocity of 10,000 h-1. The highest CO conversion (85–90%) was achieved at 200 ℃ with a CO:H2O ratio of 1:2, while the maximum H2 selectivity (1.59–3.04) was obtained at 220 ℃ with a CO:H2O ratio of 1:3. These findings highlight the excellent low-temperature activity and hydrogen selectivity of NiO-CeO2 catalyst pellets, underscoring their potential as efficient catalysts for sustainable hydrogen production.

Graphical Abstract

研究了一种用于低温水煤气变换反应(ht - wgsr)的NiO-CeO2催化剂球团,以促进废塑料气化合成气制氢。采用共沉淀法合成了NiO-CeO2催化剂粉末,并通过压缩成型制成球团。在CO:H2O进料比为1:2 ~ 1:4、工作温度为180 ~ 220℃、气体每小时空速为10,000 h-1的条件下,对LT-WGSR的性能进行了评价。在200℃、CO:H2O比为1:2时,CO转化率最高(85 ~ 90%);在220℃、CO:H2O比为1:3时,H2选择性最高(1.59 ~ 3.04)。这些发现突出了NiO-CeO2催化剂球团优异的低温活性和氢选择性,强调了它们作为可持续制氢的高效催化剂的潜力。图形抽象
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引用次数: 0
Reversible Hydrogenation and Dehydrogenation of N-Heteroaryl with Heterogeneous Palladium Catalyst for Hydrogen Storage and Transport Application 非均相钯催化n -杂芳基可逆加氢和脱氢在储氢和输氢中的应用
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-01 DOI: 10.1007/s10562-025-05233-z
Amardipsing Girase, Chandrakant Nichinde, Baliram Patil, Suryakant Chaudhari, Anil Kinage

We explore an efficient methodology for hydrogenation and dehydrogenation of N-heteroaryl compounds as hydrogen energy transport and storage using Pd/C catalysts. Pd/C catalyst was used for hydrogenation and dehydrogenation of various types of N-heterocyclic compounds. The hydrogenation reaction was also investigated at different temperatures and at different pressures. The complete hydrogenation of quinoline (7.1 wt% hydrogen storage capacity) was achieved at 200 °C and 5 MPa hydrogen pressure within 12 h. The dehydrogenation of decahydroquinoline (DHQ) (6.7 wt% hydrogen release capacity) was achieved at 250 °C temperature. The hydrogen adsorption and releasing capacity reported herein is highest as compared to reported in the literature. We also calculated mole heat and electricity consumption for the reaction. Present methodology, therefore, promises in future, the hydrogen generation, storage, and transport application of LOHC.

Graphical Abstract

我们探索了一种利用Pd/C催化剂将n -杂芳基化合物加氢和脱氢作为氢能传输和储存的有效方法。Pd/C催化剂用于多种n -杂环化合物的加氢和脱氢反应。研究了不同温度和压力下的加氢反应。在200°C和5 MPa氢气压力下,喹啉在12 h内完全加氢(储氢量为7.1 wt%)。在250°C温度下,十氢喹啉(DHQ)脱氢(氢释放量为6.7 wt%)。与文献报道相比,本文报道的氢吸附和释放能力是最高的。我们还计算了反应的摩尔热和耗电量。因此,目前的方法为未来LOHC的制氢、储存和运输应用提供了前景。图形抽象
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引用次数: 0
Effect of Rotation Speed on the Structural, Optical Properties and Photocatalytic Kinetics of TiO2 Thin Films Synthesized by Sol–Gel Method 转速对溶胶-凝胶法制备TiO2薄膜结构、光学性质和光催化动力学的影响
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-01 DOI: 10.1007/s10562-025-05252-w
Radhia Messemeche, Youcef Benkhetta, Hanane Saidi, Abdallah Attaf, Zahia Bencharef, Mohamed Salah Aida

This study investigates the structural and optical properties of titanium dioxide (TiO₂) thin films synthesized via the sol–gel spin-coating technique at varying spin speeds. Unlike the conventional power-law relationship between film thickness and spin speed in sol–gel spin coating. These results exhibited a shifted exponential decay described by (dleft(omega right)= {d}_{infty }+{A}_{0}{e}^{-komega }). X-ray diffraction (XRD) analysis confirmed the formation of the anatase phase with a preferred orientation along the (101) plane. The crystallite size increased with spin speed, reaching a maximum of 20 nm at 4000 rpm before decreasing at higher speeds. Raman spectroscopy revealed characteristic anatase peaks at 144 cm⁻1 and 639 cm⁻1, corresponding to O–Ti–O vibrational modes, while Fourier-transform infrared (FT-IR) spectroscopy confirmed the presence of strong Ti–O bonding. Optical measurements showed high transmittance exceeding 90%, and the minimum optical band gap of 3.49 eV was recorded at 4000 rpm. Photoluminescence (PL) spectra exhibited emission peaks at 460 nm, 480 nm, and 525 nm, attributed to oxygen vacancies and Ti4⁺ ions, indicating the presence of defect-related energy states that enhance photocatalytic activity. The photocatalytic performance, assessed through the degradation of methylene blue, showed a peak degradation efficiency of 84% at 4000 rpm, followed by a decline at higher spin speeds. The enhanced degradation is attributed to the increased density of oxygen vacancies and active Ti4⁺ sites. These findings highlight the critical role of spin speed in tailoring the structural and functional properties of TiO₂ thin films for optimized photocatalytic applications.

Graphical Abstract

研究了溶胶-凝胶自旋镀膜技术在不同自旋速度下合成的二氧化钛(TiO 2)薄膜的结构和光学性能。与传统的溶胶-凝胶自旋涂层中膜厚与自旋速度的幂律关系不同。这些结果显示了由(dleft(omega right)= {d}_{infty }+{A}_{0}{e}^{-komega })描述的移位指数衰减。x射线衍射(XRD)分析证实形成了沿(101)面优先取向的锐钛矿相。晶粒尺寸随着转速的增加而增大,在转速为4000 rpm时晶粒尺寸最大可达20 nm,转速越高晶粒尺寸越小。拉曼光谱揭示了144 cm - 1和639 cm - 1的锐钛矿特征峰,对应于O-Ti-O振动模式,而傅里叶变换红外(FT-IR)光谱证实了强Ti-O键的存在。光学测量显示高透光率超过90%, and the minimum optical band gap of 3.49 eV was recorded at 4000 rpm. Photoluminescence (PL) spectra exhibited emission peaks at 460 nm, 480 nm, and 525 nm, attributed to oxygen vacancies and Ti4⁺ ions, indicating the presence of defect-related energy states that enhance photocatalytic activity. The photocatalytic performance, assessed through the degradation of methylene blue, showed a peak degradation efficiency of 84% at 4000 rpm, followed by a decline at higher spin speeds. The enhanced degradation is attributed to the increased density of oxygen vacancies and active Ti4⁺ sites. These findings highlight the critical role of spin speed in tailoring the structural and functional properties of TiO₂ thin films for optimized photocatalytic applications.Graphical Abstract
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引用次数: 0
Retraction Note: Introduction of a Recyclable Basic Ionic Solvent with Bis-(NHC) Ligand Property and the Possibility of Immobilization on Magnetite for Ligand- and Base-Free Pd-Catalyzed Heck, Suzuki and Sonogashira Cross-Coupling Reactions in Water 摘要:介绍了一种具有双(NHC)配体性质的可回收碱性离子溶剂,以及在磁石上固定化pd催化Heck、Suzuki和Sonogashira在水中交叉偶联反应的可能性
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-01 DOI: 10.1007/s10562-025-05246-8
Qingwang Min, Penghua Miao, Deyu Chu, Jinghan Liu, Meijuan Qi, Milad Kazemnejadi
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引用次数: 0
A Novel Strategy to Enhancing Catalytic Stability of H-Beta Zeolite in Alkylate Gasoline Production 提高h - β沸石在烷基化汽油生产中催化稳定性的新策略
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-01 DOI: 10.1007/s10562-025-05250-y
Guangxiang Wang, Lu Gao, Xiaoqiang Zhang, Shuo Li

Alkylate gasoline, produced via alkylation processes as a high-octane component, supports cleaner energy objectives and environmental impact reduction strategies. Strengthening the catalytic durability of solid acid catalysts in alkylation process is an urgent challenge to be addressed. Herein, a surface modified strategy was proposed to enhance the catalytic durability of H-Beta zeolite. Octadecyltrichlorosilane was utilized to enhance hydrophobicity without significantly reducing the acid density. It is found that the catalytic stability of appropriate hydrophobic zeolite has increased by 37%, compared to the unmodified zeolite. Results from adsorption energy analysis indicate that rational hydrophobic modification of the external surface serves to increase the ratio of isobutane and butene in the channel, which consequently enhances the stability of catalyst. Meanwhile, excessive silanization modification will result in the decrease of catalytic stability due to the pore mouth blockage. The findings of this work provide an innovative strategy to enhances catalytic durability of solid acid catalysts in C4 alkylation process.

Graphical Abstract

作为高辛烷值成分的烷基化汽油,通过烷基化过程生产,支持更清洁的能源目标和减少环境影响的战略。提高固体酸催化剂在烷基化过程中的催化耐久性是一个迫切需要解决的问题。本文提出了一种表面改性策略来提高h - β分子筛的催化耐久性。十八烷基三氯硅烷在不显著降低酸密度的情况下提高了疏水性。结果表明,适宜的疏水沸石的催化稳定性比未改性沸石提高了37%。吸附能分析结果表明,合理的外表面疏水修饰有助于提高通道中异丁烷和丁烯的比例,从而提高催化剂的稳定性。同时,过度的硅烷化改性会导致孔口堵塞,导致催化稳定性下降。本研究结果为提高固体酸催化剂在C4烷基化过程中的催化耐久性提供了一种创新策略。图形抽象
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引用次数: 0
Application of Machine Learning in High-throughput Screening of Binary Alloys for the Hydrogenation of Benzene 机器学习在苯加氢二元合金高通量筛选中的应用
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-11-20 DOI: 10.1007/s10562-025-05227-x
Zhili Chang, Guangquan Li, Wenjun Cai, Haolan Liu, Guangcheng Zhang, Weitao Ou

The hydrogenation of benzene is a key reaction in industry, and binary alloys are promising candidates for improving the catalytic efficiency of this process. In this study, the adsorption energies of benzene and hydrogen over random 150 alloys are determined using density functional theory (DFT) calculation, and varied physical properties of alloys are used as descriptors. Four machine learning (ML) models, light gradient boosting machine (LGBM), extreme gradient boosting (XGBT), multilayer perceptron (MLP) and support vector machine (SVM) are employed to predict the adsorption energies. After feature selection and parameter optimization, LGBM model shows the highest prediction accuracy, with correlation coefficient (R2) and root mean square error (RMSE) of 0.813 and 0.415 eV for benzene, as well as 0.874 and 0.176 eV for hydrogen. Therefore, LGBM model is selected to predict the adsorption energies of benzene and hydrogen (ΔEB and ΔEH), and Cu2Ni2 has excellent ΔEB and ΔEH of -4.97 and − 1.81 eV.

Graphical Abstract

苯的加氢反应是工业上的关键反应,二元合金是提高该反应催化效率的有希望的候选材料。本研究采用密度泛函理论(DFT)计算方法确定了随机150种合金对苯和氢的吸附能,并将合金的不同物理性质作为描述符。采用光梯度增强机(LGBM)、极端梯度增强机(XGBT)、多层感知机(MLP)和支持向量机(SVM)四种机器学习模型对吸附能进行预测。经过特征选择和参数优化,LGBM模型的预测精度最高,苯的相关系数(R2)和均方根误差(RMSE)分别为0.813和0.415 eV,氢的相关系数(R2)和均方根误差(RMSE)分别为0.874和0.176 eV。因此,选择LGBM模型预测苯和氢的吸附能(ΔEB和ΔEH), Cu2Ni2具有优异的ΔEB和ΔEH(-4.97和- 1.81 eV)。图形抽象
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引用次数: 0
Antibacterial Application of Heterogeneous CuO–NiO–ZnO Metal Oxides Nanocomposites 非均相CuO-NiO-ZnO金属氧化物纳米复合材料的抗菌应用
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-11-19 DOI: 10.1007/s10562-025-05218-y
Vikas Choudhary, Kusham Lata, Manish Kumar, Ajay Sharma, Raman Kumar, Vivek Sheel Jaswal

This study reports the synthesis and characterization of CuO–NiO–ZnO trimetallic oxide nanocomposite aimed at refining functional performance. The composites were synthesized using a simple co-precipitation technique at two different temperatures: 200℃ and 500 °C, and they were subsequently characterized by UV-visible spectroscopy, X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Dynamic Light Scattering (DLS), and Scanning Electron Microscopy (SEM). Optical analysis using a Tauc plot revealed that the materials had a band gap of 2.70 eV and 2.67 eV for the 200 °C and 500 °C samples, respectively. Furthermore, XRD analysis confirmed the presence of distinct CuO, NiO, and ZnO phases, with the NiO phase comprising the maximum volume fraction. The successful formation of trimetallic oxide nanocomposites was found to have an impact on the overall properties of the nanocomposites. Additionally, SEM images revealed that the materials consisted of nanoparticles with irregular shapes. Notably, the nanocomposites exhibited selective antibacterial activity. Specifically, the 200 °C sample was effective against Gram-negative bacteria (Pseudomonas, E. coli) (GNB), whereas the 500 °C sample demonstrated efficacy against Gram-positive bacteria (GPB) (Bacillus) and also for Gram–negative (E. coli) bacterial strains, with activity increasing with an increase in nanocomposite concentration. These findings collectively highlight that synthesis temperature is a crucial parameter for tuning the structural and functional properties of these nanocomposites for specific applications.

Graphical Abstract

本研究报道了CuO-NiO-ZnO三金属氧化物纳米复合材料的合成和表征,旨在改善其功能性能。采用简单共沉淀法在200℃和500℃两种不同温度下合成了复合材料,并通过紫外可见光谱、x射线衍射(XRD)、傅里叶变换红外光谱(FTIR)、动态光散射(DLS)和扫描电子显微镜(SEM)对其进行了表征。利用Tauc图进行的光学分析显示,在200°C和500°C样品中,材料的带隙分别为2.70 eV和2.67 eV。此外,XRD分析证实了不同CuO、NiO和ZnO相的存在,其中NiO相的体积分数最大。三金属氧化物纳米复合材料的成功形成对纳米复合材料的整体性能有影响。此外,SEM图像显示材料由不规则形状的纳米颗粒组成。值得注意的是,纳米复合材料具有选择性抗菌活性。具体来说,200°C的样品对革兰氏阴性菌(假单胞菌、大肠杆菌)(GNB)有效,而500°C的样品对革兰氏阳性菌(GPB)(芽孢杆菌)和革兰氏阴性菌(大肠杆菌)菌株有效,活性随着纳米复合材料浓度的增加而增加。这些发现共同强调,合成温度是调整这些纳米复合材料的结构和功能特性的关键参数。图形抽象
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引用次数: 0
In Memory of Gabor Somorjai (1935–2025) 纪念Gabor Somorjai (1935-2025)
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-11-16 DOI: 10.1007/s10562-025-05196-1
Eric I. Altman, Hans-Joachim Freund, Detlef W. Bahnemann, Bruno Chaudret, Alison R. Fout, Andrew J. Gellman, Thomas R. Ward, Francisco Zaera, Paul Cremer, Peidong Yang, Ji Su
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引用次数: 0
Ultrathin Porous PtPdCu Nanosheets as Efficient Electrocatalysts for Oxygen Reduction Reaction 超薄多孔PtPdCu纳米片作为氧还原反应的高效电催化剂
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-11-16 DOI: 10.1007/s10562-025-05232-0
Yaru Li, Jianglong Cheng, Quan Wang, Hongbin Wang, Haipeng Hou, Yumeng Zhu, Jiamin Sun, Miaoling Shi, Xue Zhang

Cathode catalysts are vital for proton exchange membrane fuel cells (PEMFCs). However, the sluggish Oxygen reduction reaction (ORR) kinetics and the high cost of platinum-based catalysts collectively pose significant barriers to the large-scale commercialization of PEMFCs. To address these issues, a Pt–Pd–Cu ultrathin nanosheet was prepared with a thickness of about 1.626 nm through chemical synthesis and the substitution method. The synthesis, which involves chemical reduction of Pt precursors followed by directional deposition on the Pd–Cu layer, produces Pt3Pd33Cu64 catalysts with a composite structure that exhibits structural stability and enhanced catalytic performance. Electrochemical tests reveal that the as-synthesized Pt3Pd33Cu64 ultrathin nanosheets show the mass activity (MA) of 1.59 A mg−1Pt+Pd, and the specific activity (SA) of 0.422 mA cm−2. These performances show 4.42-fold and 1.66-fold enhancements over commercial Pt/C catalysts (MA: 0.36 A mg−1Pt+Pd, SA:0.255 mA cm−2), respectively. The results demonstrate that the ultrathin nanosheet-structured catalyst enhances catalytic activity, offering a strategy for the design of advanced cathode catalysts.

Graphical Abstract

阴极催化剂是质子交换膜燃料电池(pemfc)的重要组成部分。然而,缓慢的氧还原反应(ORR)动力学和铂基催化剂的高成本共同构成了pemfc大规模商业化的重大障碍。为了解决这些问题,通过化学合成和取代法制备了厚度约为1.626 nm的Pt-Pd-Cu超薄纳米片。该合成方法通过化学还原Pt前驱体,然后在Pd-Cu层上定向沉积,制备出具有复合结构的Pt3Pd33Cu64催化剂,该催化剂具有结构稳定和催化性能增强的特点。电化学测试表明,合成的Pt3Pd33Cu64超薄纳米片的质量活性(MA)为1.59 A mg - 1Pt+Pd,比活性(SA)为0.422 MA cm - 2。这些性能分别比商用Pt/C催化剂(MA: 0.36 A mg - 1Pt+Pd, SA:0.255 MA cm - 2)提高了4.42倍和1.66倍。结果表明,超薄纳米片结构的催化剂提高了催化活性,为先进阴极催化剂的设计提供了策略。图形抽象
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引用次数: 0
期刊
Catalysis Letters
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