Reaction Kinetics, Mechanisms and Catalysis最新文献

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Effect of reaction temperature and capping agents on the structural, optical and photocatalytic properties of magnetic Fe3o4/TiO2 nanocomposites: application for the photocatalytic degradation of methylene blue 反应温度和封盖剂对磁性Fe3o4/TiO2纳米复合材料结构、光学和光催化性能的影响:在光催化降解亚甲基蓝中的应用
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-14 DOI: 10.1007/s11144-026-03145-6
Réné Njiké, Katia Nono Nchimi, Adrien Pamen Yepseu, Walter N. Kun, Cyrille G. Fotsop, Giscard Doungmo, Peter T. Ndifon
{"title":"Effect of reaction temperature and capping agents on the structural, optical and photocatalytic properties of magnetic Fe3o4/TiO2 nanocomposites: application for the photocatalytic degradation of methylene blue","authors":"Réné Njiké,&nbsp;Katia Nono Nchimi,&nbsp;Adrien Pamen Yepseu,&nbsp;Walter N. Kun,&nbsp;Cyrille G. Fotsop,&nbsp;Giscard Doungmo,&nbsp;Peter T. Ndifon","doi":"10.1007/s11144-026-03145-6","DOIUrl":"10.1007/s11144-026-03145-6","url":null,"abstract":"<div><p>Iron oxide/titanium oxide nanocomposites have been synthesized by the chemical precipitation method at 25 and 80 °C using polyvinylpyrrolidone (PVP) and aloe vera gel (AG) as capping agents and tested for the degradation of methylene blue (MB) dyes. Coupling TiO<sub>2</sub> with other oxides by optimizing reaction conditions, to form a heterojunction nanocomposite can improve on the degradation efficiencies of organic pollutants, by adjusting its structural, morphological and optical properties. The materials were characterized using powder X-ray diffraction (p-XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FT-IR), and Brunauer–Emmett–Teller (BET) methods. FT-IR shows bands characteristic of Fe–O–Ti bonds, suggesting the formation of iron oxide/titanium oxide nanocomposites. The formation of magnetite phase for iron oxide and both anatase and rutile for titanium as major phase at low temperature and a unique titanomagnetite (Fe<sub>2.75</sub>O<sub>4</sub>Ti<sub>0.25</sub>) phase at high temperature were evidenced by p-XRD. The elemental composition of the synthesized particles was confirmed by EDX analysis, which showed the presence of Fe, Ti and O. SEM analysis revealed rod-like titanium oxide particles suspended on spherical/oval magnetite particles at low temperature and irregular shapes at high temperature with sizes ranging from 11 to 100 nm. BET measurements revealed that the samples were mesoporous with low surface area (4–6 m<sup>2</sup>g<sup>−1</sup>) and medium sized pores (11–18 nm). All the synthesized materials were used as catalysts for the photocatalytic degradation of methylene blue (MB) under UV-irradiation. After 180 min of irradiation using 50 mg of photocatalyst, degradation efficiencies of 54–86% were obtained, with the PVP-capped particles at low temperature showing more photocatalytic efficiencies, thus highlighting the effect of capping agent and reaction temperature on the photocatalytic properties of magnetite/titanium oxide nanocomposites as potential candidates for environmental remediation.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 5","pages":"3873 - 3890"},"PeriodicalIF":2.1,"publicationDate":"2026-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Adsorption mechanisms of methylene blue on alkali-activated peanut shells: kinetic, isotherm, and thermodynamic studies 亚甲基蓝在碱活化花生壳上的吸附机理:动力学、等温线和热力学研究
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-14 DOI: 10.1007/s11144-026-03146-5
Laid Zeghoud, Bachir Ben Seghir, Ilham Ben Amor, Messaoud Gouamid, MarouaGdoura Ben Amor, Hanen Sellami, Amina Aichour, Hakim Djafer Khodja
{"title":"Adsorption mechanisms of methylene blue on alkali-activated peanut shells: kinetic, isotherm, and thermodynamic studies","authors":"Laid Zeghoud,&nbsp;Bachir Ben Seghir,&nbsp;Ilham Ben Amor,&nbsp;Messaoud Gouamid,&nbsp;MarouaGdoura Ben Amor,&nbsp;Hanen Sellami,&nbsp;Amina Aichour,&nbsp;Hakim Djafer Khodja","doi":"10.1007/s11144-026-03146-5","DOIUrl":"10.1007/s11144-026-03146-5","url":null,"abstract":"<div><p>The development of low-cost and sustainable adsorbents for cationic dye removal remains a significant challenge in wastewater treatment. In this study, raw peanut shells (RPS) were chemically activated using NaOH to produce alkali-activated peanut shells (APS) with enhanced surface and adsorption properties toward methylene blue dye. Alkali treatment induced a mass loss of 33.61% due to the partial removal of hemicellulose, lignin, and mineral components, leading to an increase in specific surface area from 74.17 to 107.34 m<sup>2</sup>/g and greater exposure of oxygen-containing functional groups, as confirmed by FTIR and SEM analyses. Adsorption experiments showed that equilibrium was reached within 90 min at pH 8. Kinetic data followed the pseudo-second order model (R<sup>2</sup> = 0.999), indicating that the adsorption process is governed by surface interactions. Equilibrium data were best described by the Langmuir isotherm, with maximum adsorption capacities of 30.3 mg/g for RPS and 43.85 mg/g for APS. Thermodynamic parameters (ΔG° =  − 3.25 to − 5.90 kJ/mol, ΔH° = 36.16 kJ/mol) revealed that the adsorption is spontaneous and endothermic. Combined kinetic, isotherm, thermodynamic, FTIR and SEM analyses indicate that methylene blue removal occurs predominantly through physisorption mechanisms involving electrostatic attraction, hydrogen bonding, and π–π interactions. The results demonstrate that NaOH activation significantly enhances the adsorption performance of peanut shells, suggesting that APS could be an efficient, eco-friendly, and low-cost adsorbent in aqueous systems.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 5","pages":"3787 - 3808"},"PeriodicalIF":2.1,"publicationDate":"2026-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149099057","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Octahedral [(8-quinolinyl/phenanthridinyl)amine)Ga(III)] complexes, reactivity, affinity for biomolecules, anti-cancer and computational evaluations 八面体[(8-喹啉基/菲蒽二基)胺)Ga(III)]配合物,反应性,对生物分子的亲和力,抗癌和计算评价
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-14 DOI: 10.1007/s11144-026-03129-6
Phakamani C. Dlamini, Thato T. Medupe, Lucy W. Macharia, Karabo Serala, Sharon Prince, Gregory S. Smith, Irvin N. Booysen, Allen Mambanda
{"title":"Octahedral [(8-quinolinyl/phenanthridinyl)amine)Ga(III)] complexes, reactivity, affinity for biomolecules, anti-cancer and computational evaluations","authors":"Phakamani C. Dlamini,&nbsp;Thato T. Medupe,&nbsp;Lucy W. Macharia,&nbsp;Karabo Serala,&nbsp;Sharon Prince,&nbsp;Gregory S. Smith,&nbsp;Irvin N. Booysen,&nbsp;Allen Mambanda","doi":"10.1007/s11144-026-03129-6","DOIUrl":"10.1007/s11144-026-03129-6","url":null,"abstract":"<div><p>Octahedral iodo gallium(III) complexes, GaL1-L3(SN)I, incorporating bis-(azaaryl)amine ligands (L1–L3) with varying conformational flexibility, were synthesized and characterized by spectroscopic and elemental analyses to evaluate ligand effects on reactivity and affinity for biological targets. Iodide substitution by biologically relevant nucleophiles (guanine and thiourea), monitored spectrophotometrically, revealed ligand-dependent rates, with the fastest substitution observed for the dicationic GaL1(SN)I bearing the most compact and flexible ligand (L1), compared to the more rigid monocationic L2 and L3 analogues. UV–Visible studies of interactions with bovine serum albumin and calf thymus DNA indicated moderate to strong binding (<i>K</i><sub>b</sub> ≈ 10<sup>4</sup> M⁻<sup>1</sup>), with affinities decreasing in the order GaL1(SN)I &gt; GaL2(SN)I &gt; GaL3(SN)I. Competitive binding assays, supported by molecular docking, suggested bimodal binding modes involving moderate groove binding and partial intercalation. Density functional theory calculations demonstrated that trends in structural parameters and electronic reactivity descriptors were consistent with experimentally observed iodide substitution rates and biomolecular binding affinities. Cytotoxicity evaluation of L1–L3 and GaL1-L3(SN)I against selected human cancer and non-malignant cell lines demonstrated moderate antiproliferative activity. Notably, L1 and GaL1(SN)I exhibited enhanced inhibition comparable to cisplatin against HeLa cervical cancer cells, highlighting their therapeutic potential. The data provided insights into the structural-activity relationships governing the reactivity and anticancer activity of Ga(III) complexes bearing N<sup>∧</sup>N<sup>∧</sup>N and thiosemicarbazide chelators.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 4","pages":"3501 - 3531"},"PeriodicalIF":2.1,"publicationDate":"2026-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11144-026-03129-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modeling of CO conversion over Co3O4 catalysts: non-monotonic effects of oxide loading and temperature Co3O4催化剂上CO转化的模拟:氧化物负荷和温度的非单调效应
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-14 DOI: 10.1007/s11144-026-03136-7
V. E. Ved, O. V. Ved, S. Shyrokov
{"title":"Modeling of CO conversion over Co3O4 catalysts: non-monotonic effects of oxide loading and temperature","authors":"V. E. Ved,&nbsp;O. V. Ved,&nbsp;S. Shyrokov","doi":"10.1007/s11144-026-03136-7","DOIUrl":"10.1007/s11144-026-03136-7","url":null,"abstract":"<div><p>Carbon monoxide oxidation over Co<sub>3</sub>O<sub>4</sub> catalysts supported on cordierite with oxide loadings ranging from 10 to 100 wt% was investigated in temperature-dependent light-off experiments performed under identical reactor operating conditions. The results reveal a pronounced non-monotonic (close-to-U-shaped) dependence of catalytic activity on Co<sub>3</sub>O<sub>4</sub> loading. Catalysts with high oxide content achieve complete CO conversion, whereas intermediate loadings (30–50 wt%) exhibit the lowest conversion levels. At low Co<sub>3</sub>O<sub>4</sub> contents, a partial recovery of catalytic activity is observed. To describe the combined influence of temperature and catalyst composition, a phenomenological logistic model was applied to construct a continuous response surface <i>X</i><sub>CO</sub>(<i>T</i>,<i>C</i>). Analysis of this response surface confirms that the experimentally observed U-shaped dependence of CO oxidation activity on Co<sub>3</sub>O<sub>4</sub> loading persists throughout the entire temperature–composition domain. The results indicate that CO oxidation activity is governed not only by the amount of cobalt oxide but also by morphology-related effects associated with variations in oxide loading.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 4","pages":"3439 - 3457"},"PeriodicalIF":2.1,"publicationDate":"2026-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
One-step synthesis of N, S Co-doped ZnO-CuO nano-crumples via ultrasonic spray pyrolysis for efficient solar-driven photocatalytic dye degradation 超声波喷雾热解一步合成N, S共掺杂ZnO-CuO纳米团块,用于太阳能光催化染料的高效降解
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-12 DOI: 10.1007/s11144-026-03122-z
Morteza Aliabadi, Mohammad Hossein Sakhaei, Saeed Rahemi Ardekani
{"title":"One-step synthesis of N, S Co-doped ZnO-CuO nano-crumples via ultrasonic spray pyrolysis for efficient solar-driven photocatalytic dye degradation","authors":"Morteza Aliabadi,&nbsp;Mohammad Hossein Sakhaei,&nbsp;Saeed Rahemi Ardekani","doi":"10.1007/s11144-026-03122-z","DOIUrl":"10.1007/s11144-026-03122-z","url":null,"abstract":"<div><p>A one-step ultrasonic spray pyrolysis technique was used to fabricate a nano-crumpled nitrogen and sulfur co-doped ZnO-CuO. Zinc acetate, copper acetate, and thiourea with various molar ratios were dissolved in deionized water and utilized as the starting precursor solution. The deposited nanocomposites were characterized by using FESEM, XRD, EDX, UV–vis spectroscopy, PL, and EIS. The photocatalytic performance of the synthesized nanocomposites was evaluated through the photodegradation of methylene blue. Nearly total (98.4%) of the model organic pollutants were degraded within 120 min. The kinetics of the photocatalytic reaction are investigated with different scavengers to propose a reaction mechanism. The electrochemical impedance and photoluminescence spectroscopy proved that the co-doping of N and S could enhance the photocatalytic performance by promoting the suppression of electron–hole recombination.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 4","pages":"3589 - 3603"},"PeriodicalIF":2.1,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Nanostructured Bi2O3/ZnO p–n heterojunction photocatalyst derived from ZnBi-NO3 layered double hydroxides for photocatalytic degradation of methylene blue in water samples 由ZnBi-NO3层状双氢氧化物制备的纳米结构Bi2O3/ZnO p-n异质结光催化剂用于光催化降解水样中的亚甲基蓝
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-12 DOI: 10.1007/s11144-026-03147-4
Muhammad Ishfaq Chohan, Ali Nawaz Siyal, Abdul Majid Channa, Aydan Elçi, Fozia Khatoon Soomro, Aijaz Ahmed Bhutto
{"title":"Nanostructured Bi2O3/ZnO p–n heterojunction photocatalyst derived from ZnBi-NO3 layered double hydroxides for photocatalytic degradation of methylene blue in water samples","authors":"Muhammad Ishfaq Chohan,&nbsp;Ali Nawaz Siyal,&nbsp;Abdul Majid Channa,&nbsp;Aydan Elçi,&nbsp;Fozia Khatoon Soomro,&nbsp;Aijaz Ahmed Bhutto","doi":"10.1007/s11144-026-03147-4","DOIUrl":"10.1007/s11144-026-03147-4","url":null,"abstract":"<div><p>In this study, nanostructured Bi<sub>2</sub>O<sub>3</sub>/ZnO p–n heterojunction photocatalyst was developed from ZnBi-NO<sub>3</sub> Layered Double Hydroxides (LDHs), which was prepared followed by facile co-precipitation method using Zn(NO<sub>3</sub>)<sub>2</sub>·6H<sub>2</sub>O, and Bi(NO<sub>3</sub>)<sub>3</sub>·5H<sub>2</sub>O salts as precursors. The synthesized materials were characterized well by FT-IR, XRD, EDX-SEM, and TGA techniques. The Tauc plot, followed by optical study, was plotted, and bandgap energy of Bi<sub>2</sub>O<sub>3</sub>/ZnO p–n heterojunction, was calculated, and found to be 1.8 eV. The material was tested for photocatalytic degradation of methylene blue (MB) under visible light of a Tungsten lamp (100 W), and worked well at pH 8.0, concentration 10 mg L<sup>−1</sup> MB, photocatalyst dosage 30 mg and, stirring period of 60 min at 25 °C. Nanostructured Bi<sub>2</sub>O<sub>3</sub>/ZnO p-n heterojunction exhibited the efficiency of ≥ 95.00% with RSD ≤ 4.0%.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 4","pages":"3485 - 3500"},"PeriodicalIF":2.1,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Sulfonated palm kernel shell biochar as a pore-blocking-driven selective solid acid catalyst for free fatty acid esterification in high-acid crude palm oil 磺化棕榈仁壳生物炭作为孔堵塞驱动的选择性固体酸催化剂用于高酸粗棕榈油中游离脂肪酸酯化
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-12 DOI: 10.1007/s11144-026-03144-7
Ahmad Nasir Pulungan, Junifa Layla Sihombing, Agus Kembaren, Dian Wardana, Annisya Dwi Putri Zulmi, Dika Fahreza, Immanuel Veron Silitonga, Rahayu Rahayu
{"title":"Sulfonated palm kernel shell biochar as a pore-blocking-driven selective solid acid catalyst for free fatty acid esterification in high-acid crude palm oil","authors":"Ahmad Nasir Pulungan,&nbsp;Junifa Layla Sihombing,&nbsp;Agus Kembaren,&nbsp;Dian Wardana,&nbsp;Annisya Dwi Putri Zulmi,&nbsp;Dika Fahreza,&nbsp;Immanuel Veron Silitonga,&nbsp;Rahayu Rahayu","doi":"10.1007/s11144-026-03144-7","DOIUrl":"10.1007/s11144-026-03144-7","url":null,"abstract":"<div><p>This study investigates the catalytic specificity of sulfonated palm kernel shell (PKS)-derived biochar for the esterification of free fatty acids (FFA) in high-acid crude palm oil (HACPO). Biochar was prepared by pyrolysis (500 °C, 5 h, N<sub>2</sub>), activated with KOH (2 M, 1:4 w/v, 90 °C, 5 h) and HCl (1 M, 1:4 w/v), and sulfonated with concentrated H<sub>2</sub>SO<sub>4</sub> (1:4 mass ratio, 100 °C, 5 h). Comprehensive characterization using FTIR, XPS, XRD, and N<sub>2</sub> physisorption revealed that KOH activation generated substantial microporosity (BET surface area 251.85 m<sup>2</sup>/g), which was subsequently blocked by the grafted –SO<sub>3</sub>H groups after sulfonation, causing the surface area to collapse to 4.95 m<sup>2</sup>/g. XPS confirmed the exclusive presence of covalently bound aromatic –SO<sub>3</sub>H groups (S 2p at 168.7 eV) with no residual sulfate impurities. The resulting catalyst exhibited a competitive acid site density of 2.80 mmol g⁻<sup>1</sup> and achieved an 84.44% FFA conversion at a 4 wt % catalyst loading. Notably, the near-complete loss of internal porosity confined the active acid sites predominantly to the external particle surface, creating a catalyst that is highly specific toward FFA esterification while showing negligible activity for triglyceride transesterification. This pore-blocking-driven substrate selectivity establishes a clear structure–activity relationship and highlights the potential of PKS-derived sulfonated biochar as a selective solid-acid catalyst for high-FFA feedstock pretreatment.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 5","pages":"3809 - 3829"},"PeriodicalIF":2.1,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149099007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Electrocatalytic activity of palladium nanoparticles-decorated gas diffusion electrode for the hydrogen evolution reaction 钯纳米粒子修饰气体扩散电极对析氢反应的电催化活性
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-12 DOI: 10.1007/s11144-026-03149-2
Charif Dehchar, Imene Chikouche, Sophie Tingry, Ahmed Zouaoui
{"title":"Electrocatalytic activity of palladium nanoparticles-decorated gas diffusion electrode for the hydrogen evolution reaction","authors":"Charif Dehchar,&nbsp;Imene Chikouche,&nbsp;Sophie Tingry,&nbsp;Ahmed Zouaoui","doi":"10.1007/s11144-026-03149-2","DOIUrl":"10.1007/s11144-026-03149-2","url":null,"abstract":"<div><p>In this work, a high-performance palladium-based electrocatalyst was synthesized and evaluated for the hydrogen evolution reaction (HER) in an acidic medium. The catalyst consists of Pd nanoparticles electrodeposited onto a three-dimensional gas diffusion electrode (Pd@GDE) using a galvanostatic pulse technique. The deposition time was varied to obtain Pd loadings of 200, 150, 100, and 50 µg/cm<sup>2</sup>. Electrochemical measurements revealed that Pd loading strongly influences the HER activity, with the highest performance achieved at 100 µg/cm<sup>2</sup>. In 0.5 M H<sub>2</sub>SO<sub>4</sub>, the optimized Pd@GDE exhibited an onset potential of − 4.8 mV vs. RHE, an overpotential of 32.3 mV at –10 mA/cm<sup>2</sup>, and a Tafel slope of 33.3 mV/dec. Ageing tests revealed remarkable stability of the catalyst, with negligible loss of activity after 1500 potential cycles. Furthermore, the catalyst maintained a stable response at –10 mA/cm<sup>2</sup> over 5000 s. This platinum-comparable performance, achieved at significantly lower cost, highlights the strong potential of Pd@GDE as an efficient and cost-effective electrocatalyst for hydrogen production.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 5","pages":"3773 - 3785"},"PeriodicalIF":2.1,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149099055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Computational studies of the silver-catalyzed olefination of aldehydes using siloxyalkenes 用硅氧烯烃进行银催化醛烯烃的计算研究
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-12 DOI: 10.1007/s11144-026-03140-x
Mohammad Abd Al-Hakim Badawi, Rawan Rifai, Ali A Khairbek, Abdullah Yahya Abdullah Alzahrani, Renjith Thomas
{"title":"Computational studies of the silver-catalyzed olefination of aldehydes using siloxyalkenes","authors":"Mohammad Abd Al-Hakim Badawi,&nbsp;Rawan Rifai,&nbsp;Ali A Khairbek,&nbsp;Abdullah Yahya Abdullah Alzahrani,&nbsp;Renjith Thomas","doi":"10.1007/s11144-026-03140-x","DOIUrl":"10.1007/s11144-026-03140-x","url":null,"abstract":"<div><p>A density functional theory (DFT) investigation was carried out to explore the detailed mechanism of silver-catalyzed olefination of aldehydes with siloxyalkynes. Two mechanistic pathways involving initial activation of either the alkyne or the aldehyde by the AgNTf₂ catalyst were examined. The computational results revealed that although the Ag–alkyne complex is thermodynamically more stable, the aldehyde-activated pathway has a significantly lower energy barrier (12.6 kcal/mol) than the alkyne-activated pathway (22.7 or 28.0 kcal/mol for pathways 1a or 1b). Substituent effects were also evaluated, which revealed that steric hindrance at the R<sup>1</sup> position increases the reaction barrier, whereas smaller substituents favor high selectivity. Solvent effects were investigated via the SMD method, with toluene predicted to provide lower free energy barriers than dichloromethane. Analysis of the nucleophilic/electrophilic indices and noncovalent interactions further supported the predomi-nance of the aldehyde-activated pathway. These results provide new theoretical insights into the silver-catalyzed olefination mechanism and highlight the influence of electronic, steric, and solvent factors on the reaction selectivity and efficiency.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"139 4","pages":"3559 - 3573"},"PeriodicalIF":2.1,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Nano Pd0 particle confined within the pores of UiO-66(Zr)-F4 for efficient destruction of carbamazepine by the hydrogen-accelerated catalytic Fenton reaction 纳米Pd0颗粒被限制在UiO-66(Zr)-F4孔内,通过氢加速催化芬顿反应有效地破坏卡马西平
IF 2.1 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2026-05-12 DOI: 10.1007/s11144-026-03074-4
Jiahao Wang, Feng Liu, Lei Xie, Hailiang Yang, Sanjian Ma, Zixia Lin, Xin Liu, Suqin Wang
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