Reaction Kinetics, Mechanisms and Catalysis最新文献

{"title":"Correction: Solid‑state 13C NMR analysis of regenerated and coked catalyst under dry and wet hydrotreatment","authors":"Narjes Ghaloum, Salim Ok","doi":"10.1007/s11144-025-02961-6","DOIUrl":"10.1007/s11144-025-02961-6","url":null,"abstract":"","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3127 - 3128"},"PeriodicalIF":1.7,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122014","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}

{"title":"Novel photosensitive Ni-doped TiO2 nanocomposites: visible light photocatalytic treatment of Rhodamine B","authors":"Guiyi Huang,&nbsp;Xin Huang,&nbsp;Penghui Ma,&nbsp;Shihuan Pu,&nbsp;Yumin Song,&nbsp;Liuchuang Wei,&nbsp;Tingting Guo,&nbsp;Suihai Chen","doi":"10.1007/s11144-025-02900-5","DOIUrl":"10.1007/s11144-025-02900-5","url":null,"abstract":"<div><p>TiO₂ photocatalytic materials with different nickel doping contents were successfully prepared by using the sol–gel method. Through a variety of advanced characterization techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDAX), ultraviolet–visible absorption spectroscopy (UV–Vis), and Fourier transform infrared spectroscopy (FTIR), Photoluminescence (PL), BET surface area, the structural and performance of the prepared catalysts were comprehensively characterized. Meanwhile, organic dyes were selected as the target degradable substances, and the photocatalytic efficiency was systematically tested. Using the batch experiment method, the photocatalytic degradation activity of Ni-doped TiO₂ (Ni-TiO₂) on Rhodamine B(Rh-B) dye was deeply investigated. The experimental results showed that when the Ni doping content was 1%, Ni-TiO₂ exhibited the highest degradation rate, reaching 98.22%. To clarify the intrinsic mechanism of this excellent performance, the catalyst was analyzed in depth, and it was found that the doped samples could generate more electron–hole pairs. Compared with pure TiO₂, the average effective mass of photogenerated electrons and holes in Ni-TiO₂ was smaller. The smaller effective mass significantly promoted carrier migration and effectively inhibited the recombination of carriers. In addition, through density functional theory (DFT) calculations, the above experimental results were further verified, providing a theoretical basis for the mechanism of improving photocatalytic performance.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3437 - 3454"},"PeriodicalIF":1.7,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122166","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}

{"title":"Development and optimization of a carbon nanotubes–kaolinite composite for highly efficient removal of methyl red dye from aqueous solutions","authors":"Ahmed F. Halbus,&nbsp;Zahraa H. Athab,&nbsp;Bashaer Jawad kahdum,&nbsp;Hussein Idrees Ismael,&nbsp;Abbas J. Atiyah,&nbsp;Hasan F. Alesary,&nbsp;Ahmed K. Kodeary","doi":"10.1007/s11144-025-02912-1","DOIUrl":"10.1007/s11144-025-02912-1","url":null,"abstract":"<div><p>The current work involves the synthesis of a composite of carbon nanotubes and kaolinite (CNTs/kaolinite). This composite was synthesized using a simple evaporation and drying method. The synthesized materials were investigated using different techniques such as the XRD technique, SEM–EDS, Sears method, and point zero charges (pzc). The activity of synthesized materials was studied by following the removal of methyl red dye (MR) from its aqueous solution by adsorption over these synthesized materials. Different adsorption parameters and conditions were conducted such as the effect of the used doses of the adsorbent, period of adsorption, effect of temperature, and pH effect. The obtained results found that the best removal efficiency of MR dye was achieved upon using a dose (0.07 g) of the synthesized composite at 25 °C, and the optimum pH was 5. Also, it was found that the removal efficiency of this dye over composite was better than that in comparison with each of kaolinite and CNTs alone under the same adsorption circumstances. The adsorption behavior of MR dye onto the CNTs/kaolinite composite is well described by the Freundlich isotherm and follows the pseudo-second order kinetic model. Additionally, the data indicates that CNTs/kaolinite are highly recyclable, indicating that they would be a cost-effective material with substantial potential for water treatment.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3229 - 3245"},"PeriodicalIF":1.7,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145121519","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}

{"title":"Optical and dielectric properties of CuFe2O4 nanoparticles: a pathway to efficient photocatalytic degradation of Rhodamine B under visible light","authors":"K. Derkaoui,&nbsp;A. Elfiad,&nbsp;Y. Mebdoua,&nbsp;I. Belkhettab,&nbsp;I. Bencherifa,&nbsp;S. Benredouane,&nbsp;S. Naama,&nbsp;T. Hadjersi,&nbsp;M. Kechouane","doi":"10.1007/s11144-025-02906-z","DOIUrl":"10.1007/s11144-025-02906-z","url":null,"abstract":"<div><p>This study explores the synthesis, characterization, and application of CuFe₂O₄ nanoparticles as an efficient photocatalyst for the degradation of Rhodamine B (RhB) under visible light. CuFe₂O₄ was synthesized via the coprecipitation method, and its structural integrity and purity were confirmed through X-ray diffraction (XRD) and Raman spectroscopy, which identified a spinel cubic phase with high crystallinity. Scanning Electron Microscopy (SEM) revealed agglomerated nanoparticles, while Energy-Dispersive X-ray Spectroscopy (EDX) verified the elemental composition and purity of the material. Optical characterization using UV–Vis diffuse reflectance spectroscopy and the Tauc plot demonstrated a narrow bandgap of 1.43 eV, enabling strong absorption of visible light, while the Valence Band Maximum (VBM) at 1.94 eV highlighted its high oxidative potential. Electrochemical impedance spectroscopy (EIS) and Nyquist plots showed low charge transfer resistance, facilitating efficient charge separation, and photoluminescence (PL) spectra revealed moderate emission intensities, indicating reduced electron–hole recombination. Dielectric studies further confirmed strong light-matter interactions, with favorable optical and electrical conductivities for photocatalytic applications. The photocatalytic activity of CuFe₂O₄ was evaluated for RhB degradation, achieving a significant degradation rate of 57.89% within 90 min under visible light, following pseudo-first order kinetics with a rate constant (k = 0.01961 ± 0.0027 min⁻¹) much higher than photolysis alone (k = (7.2 ± 0.1) × 10⁻⁴ min⁻¹). Reusability tests confirmed the catalyst's stability over six cycles, with a degradation efficiency of 46% in the final cycle. Scavenger tests identified superoxide radicals (O₂⋅⁻) as the dominant reactive species, with significant contributions from photogenerated holes (h⁺), while hydroxyl radicals (⋅OH) played a negligible role. A detailed mechanism was proposed, involving visible-light absorption, charge carrier generation, and reactive oxygen species formation to degrade RhB into harmless products.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3521 - 3541"},"PeriodicalIF":1.7,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122591","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}

{"title":"Operando infrared spectroscopy study of dehydration of isopropanol to propylene over a monolayer V2O5/TiO2 catalyst","authors":"Kseniya Litvintseva,&nbsp;Vasily Kaichev","doi":"10.1007/s11144-025-02907-y","DOIUrl":"10.1007/s11144-025-02907-y","url":null,"abstract":"<div><p>An <i>operando</i> Fourier transform infrared (FTIR) spectroscopy study of the catalytic conversion of isopropanol over a monolayer V₂O₅/TiO₂ catalyst was carried out at atmospheric pressure in a temperature range of 50–300 °C. The experiments were carried out using two FTIR spectrometers, which allowed us simultaneously to study the catalyst under reaction conditions, to analyze reaction products in the gas-phase, and to determine the isopropanol conversion. In addition, the catalyst state was analyzed by X-ray photoelectron spectroscopy (XPS) after treatments under reaction conditions. It was found that the reaction starts above 100 °C, the conversion of isopropanol increases with temperature, achieving 60% at 300 °C. The gaseous products include propylene, acetone, CO, and CO₂, with propylene being the main reaction product above 200 °C. It was also found that at low temperatures (between 50 and 150 °C), the main reaction intermediate adsorbed on the catalyst surface is molecular isopropanol, which is typical of the concerted elimination mechanism for the dehydration of isopropanol. At higher temperatures, there appear adsorbed acetone and carboxylate species on the catalyst surface. The overall mechanism for the catalytic conversion of isopropanol on supported vanadium oxide catalysts is discussed.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"2741 - 2758"},"PeriodicalIF":1.7,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122476","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}

{"title":"High-performance corrosion inhibition of mild steel by a tailored heterocyclic compound: surface, electrochemical, and computational investigation","authors":"Fayssal Boudjellal,&nbsp;Abdelghani Sehmi,&nbsp;Farouk Boudou,&nbsp;Mourad Zebida,&nbsp;Abdelkrim Guendouzi,&nbsp;Omar Benali,&nbsp;Nouria Bouchikhi,&nbsp;Chems Eddine Gherdaoui","doi":"10.1007/s11144-025-02918-9","DOIUrl":"10.1007/s11144-025-02918-9","url":null,"abstract":"<div><p>A new heterocyclic compound, N,N-dimethyl-4-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl) aniline (DOD), was synthesized and investigated as a corrosion inhibitor for mild steel in 1 M hydrochloric acid (HCl). Structural characterization was confirmed by proton and carbon nuclear magnetic resonance (¹H and ¹³C NMR) spectroscopy. Corrosion inhibition performance was evaluated through weight loss (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS). Surface morphology analysis by scanning electron microscopy (SEM) revealed the formation of a protective film on the steel surface. Quantum chemical calculations, including frontier molecular orbitals and Fukui indices, provided insight into the reactivity and adsorption behavior of the compound. Molecular docking simulations demonstrated strong binding affinities of DOD with proteins 3SX6 (− 8.1 kcal/mol) and 1H1O (− 7.9 kcal/mol), from <i>Acidithiobacillus ferrooxidans</i> and <i>Thiobacillus ferrooxidans</i>, both of which contribute to microbiologically induced corrosion. At a concentration of 5 × 10⁻⁴ M and 303 K, DOD showed inhibition efficiencies of 92% (WL), 83.13% (PDP), and 94.78% (EIS). The PDP results indicated mixed-type inhibition behavior, while EIS data confirmed the formation of a stable adsorbed layer. The adsorption process followed the Langmuir isotherm model and kinetic/thermodynamic parameters indicated a dual mechanism involving both physisorption and chemisorption. Theoretical findings were in good agreement with the experimental results, confirming the efficiency and multifunctional performance of DOD as a corrosion inhibitor.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3129 - 3158"},"PeriodicalIF":1.7,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122383","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}

{"title":"Photocatalytic performance of nanostructured ferroelectric perovskite catalysts for the degradation of ibuprofen anti-inflammatory drug","authors":"Zineb Choukchou Braham,&nbsp;Amina Kermad,&nbsp;Sanaa El Korso,&nbsp;Fatima Zahra Mokri,&nbsp;Chewki Ziani Cherif,&nbsp;Mohammed Reda Ramdani,&nbsp;Amel Boudjemaa,&nbsp;Khaldoun Bachari,&nbsp;Abderrahim Choukchou Braham","doi":"10.1007/s11144-025-02917-w","DOIUrl":"10.1007/s11144-025-02917-w","url":null,"abstract":"<div><p>In this study, lead and lead-free simple perovskite nanomaterials were used as ferroelectric photocatalysts for the first time to degrade ibuprofen (IBP) (25 mg/L), under UV (254 nm) light. The materials BaTiO₃ (BT-h), BaZrO₃ (BZ-h), PbTiO₃ (PT-h), and PbZrO₃ (PZ-h) were prepared using a straightforward hydrothermal method. The morphology, surface area, pore size, crystalline phase purity, and optical properties of these materials were characterized by scanning electron microscopy (SEM), N₂ adsorption/desorption measurements, X-ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, and diffuse reflectance spectroscopy (DRS). SEM, XRD, Raman, and FTIR analyses confirmed the nano-perovskite structure in all materials, indicating piezoelectric characteristics due to their non-centrosymmetric nature. The photocatalytic degradation of IBP was monitored by high-performance liquid chromatography (HPLC). The results show photocatalytic efficiencies reaching 99% after 120 min, highlighting a strong ferroelectric effect in the BT-h, BZ-h, and PT-h photocatalysts, which induced spontaneous polarization that generates an electric field and enhances charge separation in the photocatalytic process. In contrast, PZ-h showed moderately lower degradation efficiency (86%) due to its antiferroelectric properties. BT-h exhibited excellent reusability, maintaining high degradation efficiencies over five consecutive cycles (99%, 95%, 94%, 94% and 92%, respectively). Gas chromatography–mass spectrometry (GC–MS) provided insights into the degradation mechanism, identifying four intermediate products formed during IBP degradation in the presence of BT-h, leading to mineralization at the reaction end. It also demonstrated admirable performance even under near-visible UV irradiation (360 nm), achieving a degradation rate of 84% after 120 min. Overall, our findings reveal that photocatalytic efficiency in IBP degradation is primarily driven by the ferroelectric properties of these materials, which promote effective charge separation under UV irradiation.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3295 - 3323"},"PeriodicalIF":1.7,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122478","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}

{"title":"Mechanistic insights and management approaches in photocatalytic degradation of tetracycline antibiotic using zinc ferrite nanoparticles","authors":"Muhammad Fayyaz Khokhar,&nbsp;Liu Bangfan,&nbsp;Muzaffar Abbas,&nbsp;Muhammad Yasar,&nbsp;Amna Abrar,&nbsp;Naemi Tonateni Shifeta,&nbsp;Khalid J. Alzahrani,&nbsp;Khalaf F. Alsharif,&nbsp;Djumaniyazova Mukhayya Xusinovna,&nbsp;Dilbar Urazbaeva","doi":"10.1007/s11144-025-02904-1","DOIUrl":"10.1007/s11144-025-02904-1","url":null,"abstract":"<div><p>Zinc-doped Zn_xCd_0.8-XBa_0.2Al_0.2Fe_1.8O₄(X = 0, 0.2) spinel ferrite nanoparticles were synthesized via the sol–gel auto-combustion method and characterized by XRD, FTIR, SEM, EDX, BET, and UV–Vis spectroscopy. Zinc incorporation at x = 0.2 reduced the optical bandgap from 2.86 eV to 2.69 eV, increased BET surface area from 7.54 to 10.23 m²/g (35.6% enhancement), and decreased crystallite size from 22.26 to 18.82 nm. Under visible-light irradiation (100 W, 105 min), the zinc-doped catalyst achieved 98% tetracycline degradation compared to 50% for the undoped material. The catalyst demonstrated broad-spectrum activity with degradation efficiencies of 85, 77, 65, and 48% for Congo Red, Rhodamine B, 65% for Methylene Blue, and 48% for Methyl Orange, respectively. The addition of peroxymonosulfate, hydrogen peroxide, and persulfate resulted in complete tetracycline removal at 15, 30, and 45 min, respectively. Scavenger experiments identified hydroxyl radicals as the primary degradation species, contributing to 63% of the overall process. The catalyst maintained an 82% efficiency after five consecutive cycles. Optimal performance was achieved at pH 3 (complete degradation in 30 min) with an 80 mg catalyst dosage (complete removal in 45 min). Under natural sunlight, complete tetracycline degradation was achieved in 30 min, demonstrating superior performance compared with artificial light sources.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3325 - 3346"},"PeriodicalIF":1.7,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122526","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}

{"title":"Exploring plasma-sprayed MCrAlY and yttria-stabilized zirconia coatings for efficient and scalable hydrogen production","authors":"Khaled Derkaoui,&nbsp;Yamina Mebdoua,&nbsp;Lalla Garagouze,&nbsp;Nour El Houda Ahmed Merdoukh,&nbsp;Chaker Serdani,&nbsp;Hadj Lahmar,&nbsp;Soumia Benredouane,&nbsp;Nadjet Bouhelal,&nbsp;Naitbouda Abdelyamine,&nbsp;Maissa Bourahla,&nbsp;Toufik Hadjersi","doi":"10.1007/s11144-025-02914-z","DOIUrl":"10.1007/s11144-025-02914-z","url":null,"abstract":"<div><p>Plasma-sprayed CoNiCrAlY alloy and yttria-stabilized zirconia (ZrO₂ + 8% Y₂O₃) coatings were investigated as scalable electrodes for the hydrogen evolution reaction (HER) in alkaline media. Coatings were deposited on mild steel substrates using atmospheric plasma spraying, followed by detailed structural, morphological, and electrochemical characterization. The CoNiCrAlY alloy exhibited a dense face-centered cubic (FCC) structure, while the ceramic displayed a stabilized tetragonal phase. Surface profilometry revealed high roughness values for both coatings (Ra = 14.742 µm for CoNiCrAlY, 12.55 µm for YSZ), enhancing surface area. Electrochemical measurements revealed that CoNiCrAlY exhibited enhanced HER activity, evidenced by a lower Tafel slope (0.1627 V/dec), higher exchange current density (4311.86 mA/cm²), and faster hydrogen evolution rate (5092.98 μmol/h) compared to YSZ (0.3186 V/dec, 711.22 mA/cm², 3547.55 μmol/h). Electrochemical impedance spectroscopy confirmed lower charge transfer resistance and Warburg-type diffusion behavior for the metallic coating. Raman spectroscopy identified protective oxide layers (Cr₂O₃, Al₂O₃) on the alloy surface, which contribute to increased durability. These findings highlight the promising catalytic performance and scalability of CoNiCrAlY coatings for alkaline water electrolysis.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"3247 - 3263"},"PeriodicalIF":1.7,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122384","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}

{"title":"Synthesis of PdCu supported by carbon and carbon hybrid tungsten oxides (C-WO3) nanoparticles and its effect on oxygen reduction reaction (ORR) in acidic and alkaline media: density functional theory approach","authors":"Muhammad Sufaid Khan,&nbsp;Rozina Khattak,&nbsp;Noor Rehman,&nbsp;Shujaat Ahmad,&nbsp;Hidayat Ullah,&nbsp;Tour Jan,&nbsp;Najeeb ur Rahman,&nbsp;Abbas Khan,&nbsp;Ahad Amer Alsaiari","doi":"10.1007/s11144-025-02908-x","DOIUrl":"10.1007/s11144-025-02908-x","url":null,"abstract":"<div><p>In this study, palladium and copper alloy supported on carbon and carbon hybrid tungsten oxide (IV) (WO₃) for the oxygen reduction reaction (ORR) catalytic activities have been investigated. The nanostructured PdCu/C catalyst worked effectively in both acidic and alkaline conditions. The impact of adopting a WO₃ hybrid support medium i.e., PdCu/C-WO₃ on oxygen reduction reaction (ORR) have counted in both media. The phase transfer approach was used to synthesize a stable PdCu nanocatalyst (50:50). The synthesized nanocatalyst were characterized by X-ray diffraction (XRD), high-resolution electron microscopy (HRTEM) and fourier transform infrared (FTIR) techniques. The XRD peaks confirmed the alloy between Pd and Cu, and the particle size was less than 5 nm according to HRTEM. The FTIR data, revealed the bands of oxide’s resonance in its distinctive region. The electrochemical behaviour was determined by cyclic voltammetry (CV) via rotating ring disk electrode (RRDE). The WO₃ hybrid carbon supported PdCu demonstrated better ORR specificity and mass activities than unhybrid PdCu, in both media. The PdCu/C-WO₃ was more efficient than PdCu/C due to the structural effect significantly improved the efficiency of the synthesized nanocatalyst. Density function theory (DFT) calculations corelated with catalytic performance in term of energy of interaction of O₂ molecule on the prepared materials as well as its structures orientation and charge transfer approach. Both experimental and the theoretical analysis shows that the PdCu support on carbon hybrid with WO₃ have enhanced the catalytic activities for ORR.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 5","pages":"2825 - 2845"},"PeriodicalIF":1.7,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145122362","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}