Journal of Catalysis最新文献

{"title":"The terphenyl phosphine TXPhos: A highly efficient and general supporting ligand for palladium-catalyzed C-N cross-coupling of aryl chlorides with diaryl amines as well","authors":"Fabin Zhou ,&nbsp;Lixue Zhang ,&nbsp;Guoyu Cheng ,&nbsp;He Yang ,&nbsp;Bingxin Yuan ,&nbsp;Wenjun Tang ,&nbsp;Ji-cheng Shi","doi":"10.1016/j.jcat.2025.116229","DOIUrl":"10.1016/j.jcat.2025.116229","url":null,"abstract":"<div><div>An efficient C-N cross-coupling between readily available aryl chlorides and diaryl amines has been established by using Pd/TXPhos as catalyst, leading to a diversity of triarylamines in high yields. Detailed experimentation revealed that terphenyl phosphine ligand TXPhos exhibited premier catalytic performance in comparison with common ligands and the choice of base and solvent was crucial to reactivity. Strong bases, such as NaO<em>t</em>Bu and LHMDS, were the preferred ones for electron-rich diarylamines, while bases including alkali metal carbonates and phosphates were the suitable choice for diarylamines possessing electron-withdrawing substituents. Notably, the use of TXPhos as supporting ligand enabled the extension to weak base such as NaOPh with electron-rich diarylamine substrates. Mechanistic studies indicated that a Pd phenolate species initially formed after the oxidative addition step when NaOPh was employed as the base, which would facilitate the generation of Pd-amide complex after amine coordination. The synthetic utility of this coupling protocol was exemplified by the efficient synthesis of several carbazole-based OLED molecules and the practicality was demonstrated by the achievement of up to 3300 TON.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"450 ","pages":"Article 116229"},"PeriodicalIF":6.5,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Surface modification of SiO2 support with N-containing polymer for enantioselective hydrogenation over Pt catalyst","authors":"Minji Yun ,&nbsp;Jeongmyeong Kim ,&nbsp;Byeongju Song ,&nbsp;Hyunjun Jeong ,&nbsp;Dongmin Lee ,&nbsp;Christopher W. Jones ,&nbsp;Yongju Yun","doi":"10.1016/j.jcat.2025.116232","DOIUrl":"10.1016/j.jcat.2025.116232","url":null,"abstract":"<div><div>The design of highly enantioselective heterogeneous catalysts offers an efficient route for the production of enantiopure chiral molecules, which are crucial intermediates in the pharmaceutical, agrochemical, and fine chemical industries. In this study, we present a strategy to enhance the enantioselectivity of supported Pt catalysts for the hydrogenation of α-keto esters by modifying SiO₂ supports with poly(ethyleneimine) (PEI), a nitrogen-rich polymer. By adjusting the heat-treatment time, the quantity of PEI-derived residues on the support was successfully controlled, thereby fine-tuning the electronic state of Pt through electron-transfer interactions, and resulting in the generation of positively charged Pt species. Catalytic evaluations showed that the Pt/PEI-SiO₂ catalysts exhibited superior enantioselectivities compared to the unmodified Pt/SiO₂, with an optimal performance of 96.1% enantiomeric excess (<em>ee</em>). In addition, the Pt/PEI-SiO₂ catalysts exhibited high enantioselectivities using various α-keto esters, chiral modifiers, and H₂ pressures, as well as an excellent reusability over ten consecutive cycles. The observed correlation between the higher proportion of positively charged Pt species and the increased <em>ee</em> suggests that the improved enantioselectivity of the Pt/PEI-SiO₂ catalyst system is driven by the enhanced adsorption of chiral modifiers, which is facilitated by interactions between the anchoring moiety and the electron-deficient Pt surface. These findings highlight the essential role of interactions between the active metals and the modifying organic species bound to support materials in enhancing the enantioselectivity. Moreover, they provide valuable insights for catalyst design through electronic tuning of the active metal surface with organic-modified supports.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"449 ","pages":"Article 116232"},"PeriodicalIF":6.5,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Catalytic and modulation excitation visible-NIR spectroscopic insights into the consequences of K promotion and pretreatment on Cu/SiO2 for direct propylene epoxidation","authors":"Hashim A. Alzahrani, Hongda Zhu, Juan J. Bravo-Suárez","doi":"10.1016/j.jcat.2025.116242","DOIUrl":"https://doi.org/10.1016/j.jcat.2025.116242","url":null,"abstract":"Systematic fixed-bed reactor studies were performed under propylene epoxidation conditions with O₂ (1 atm, 250 °C) to examine the impact of potassium and oxidative/reductive pretreatments on Cu/SiO₂ catalysts. At similar propylene conversion and copper particle sizes (2–3 nm), hydrogen pretreatment of K-promoted Cu/SiO₂ significantly increased propylene oxide (PO) selectivity, making it the primary product (∼40 %). Characterization of the spent catalysts using XPS and H₂-TPR revealed a unique Cu-K interaction following H₂ pretreatment and suggested a potential role for subsurface oxygen in the reaction. Activity tests with CuO and Cu₂O, both with and without K, showed that K deactivates CuO while enhancing PO/acrolein ratio for Cu₂O. Operando Modulation Excitation-Phase Sensitive Detection- Diffuse Reflectance Visible-Near Infrared Spectroscopy (ME-PSD-DRVis-NIR) revealed charge transfer correlations. These correlations suggested that the combined K and H₂ increases the population of mixed-valent Cu^m+ (1 &lt; m &lt; 2) (Cu¹⁺ and Cu²⁺ ensemble) sites and modulates the strength of oxygen adsorption and activation at these sites, thereby improving PO selectivity and formation rate. These results demonstrate that controlling the copper oxidation state through promoters and pretreatments enhances PO selectivity in direct propylene epoxidation with O₂, providing valuable insights for improving catalytic activity and identifying crucial oxygen species.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"133 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Application of electric fields in the selective conversion of small alkane on IrO2(1 1 0) surface: DFT and microkinetic simulation study","authors":"Jungwon Yun ,&nbsp;Seongjun Lee ,&nbsp;Dasol Bae ,&nbsp;Minkyu Kim","doi":"10.1016/j.jcat.2025.116226","DOIUrl":"10.1016/j.jcat.2025.116226","url":null,"abstract":"<div><div>The selective conversion of small alkanes, such as methane and ethane, into value-added products is essential for various industrial applications. However, achieving high conversion efficiency and selectivity remains challenging due to inherent activation barriers and competing reaction pathways. This study investigates the role of external electric fields in enhancing C₂H₄ production from CH₄ and C₂H₆ oxidation over the IrO₂(110) surface using density functional theory calculations and microkinetic modeling. The results reveal that electric fields significantly influence reaction pathways. A negative electric field enhances C₂H₄ yield from CH₄ by promoting initial activation and suppressing CH₂OH formation at a critical branching point (CH₂OH formation vs. C₂H₄ formation). For C₂H₆ oxidation, both negative and positive electric fields increase C₂H₄ yield by facilitating initial activation (negative and positive fields) and enhancing C–H bond re-combinative C₂H₄ desorption (positive field) at a key branching point (C₂H₃ → C₂H_x vs. C₂H₃ → C₂H₄ → C₂H₄(g)). These findings underscore the potential of tailored electric fields as a powerful strategy for optimizing catalytic processes on IrO₂. Understanding and leveraging electric field effects at initial activation steps and branching points can enable the design of advanced catalysts with improved selectivity and yield, offering a broadly applicable approach for catalytic process optimization across diverse systems.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"450 ","pages":"Article 116226"},"PeriodicalIF":6.5,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144104483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cobalt-catalyzed transfer hydrogenation of nitroarenes to arylhydroxylamines with NH3BH3: Scope and mechanism","authors":"Dawei Gong ,&nbsp;Yanlin Zhang ,&nbsp;Qixuan Li ,&nbsp;Yufei Li ,&nbsp;Linan Xing ,&nbsp;Lina Zhao ,&nbsp;Degong Kong","doi":"10.1016/j.jcat.2025.116222","DOIUrl":"10.1016/j.jcat.2025.116222","url":null,"abstract":"<div><div>A novel cobalt-catalyzed transfer hydrogenation of nitroarenes to arylhydroxylamines using ammonia borane (NH₃BH₃) in methanol has been developed. The cobalt catalyst exhibits good selectivity without producing over-reduced by-products. Density functional theory (DFT) calculations and control experiments provide valuable insights into the reaction mechanism, revealing the N–H moiety of NH₃BH₃ as a key participant in nitroarene reduction. Moreover, DFT calculations reveal that selective control is achieved via the unique square-pyramidal coordination of the cobalt complex with NH₃BH₃ and hydroxylamine. This coordination ensures that the reduction of nitrobenzene halts at the hydroxylamine stage, enabling the selective reduction of nitrobenzene to hydroxylamine. Moreover, methanol is indirectly involved in the reaction and does not provide hydrogen atoms directly for nitroarene reduction, which differs from the classical solvent-mediated protonolysis mechanism. This study presents a novel and straightforward method for synthesizing arylhydroxylamines.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"449 ","pages":"Article 116222"},"PeriodicalIF":6.5,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144104362","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Size dependence over Cu-based catalysts for semi-hydrogenation of symmetric-structured molecules","authors":"Tiantian Xiao ,&nbsp;Zhibo Yang ,&nbsp;Huiqing Wu ,&nbsp;Maoshuai Li ,&nbsp;Jing Lv ,&nbsp;Shouying Huang ,&nbsp;Yue Wang ,&nbsp;Xinbin Ma","doi":"10.1016/j.jcat.2025.116225","DOIUrl":"10.1016/j.jcat.2025.116225","url":null,"abstract":"<div><div>Identification the size dependence behavior of copper active species are crucial for achieving semi-hydrogenation of carbon–oxygen bonds in the symmetric-structured molecules. Semi-hydrogenation of dimethyl oxalate (DMO) was used as typical for investigation, providing a promising pathway for the production of methyl glycolate (MG), an important feedstock for high value-added materials. Here, by employing a theoretical study, we elucidated the structure-sensitivity and emphasized the vital role of electronic and geometric structure in the reaction mechanism over Cu_n/CeO₂ catalysts. The Cu₄ cluster with a “ridge-like” structure and dual sites (Cu⁰-Cu^δ+) exhibited the best performance for semi-hydrogenation of DMO to MG, agreed with the experimental results. Electronic structure of small Cu clusters influences MG selectivity by affecting the strength of donor–acceptor interactions between empty d orbitals of Cu and the π orbitals of C<img>O group. In contrast, steric hindrance induces a downward-directed configuration of acyl species on larger Cu clusters, reducing the Pauli repulsion in the transition state of MG dissociation, and promoting undesired further hydrogenation of MG. Our findings provided a rational guideline for designing catalysts with optimal particle size and morphology in the semi-hydrogenation of symmetric-structured molecules.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"449 ","pages":"Article 116225"},"PeriodicalIF":6.5,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal phase dependent electronic metal-support interactions tune the Ru/ZrO2 interfacial sites for enhancing direct deoxygenation of m-cresol","authors":"Yuxin Shang ,&nbsp;Hu Ding ,&nbsp;Zihao Liu ,&nbsp;Ruoyu Zhang ,&nbsp;Qingfeng Ge ,&nbsp;Xinli Zhu","doi":"10.1016/j.jcat.2025.116233","DOIUrl":"10.1016/j.jcat.2025.116233","url":null,"abstract":"<div><div>Oxophilic Ru catalysts are active for direct deoxygenation (DDO) of phenolics, but suffer from C<img>C hydrogenolysis and phenyl ring saturation, resulting in lower aromatic yield. Herein, we report that the DDO activity and selectivity can be improved via electronic metal-support interactions (EMSI) between Ru and irreducible ZrO₂ via tuning the crystal phase (monoclinic (m) and tetragonal (t)) of ZrO₂. Characterizations and density functional theory (DFT) calculations indicated that the easier formation of oxygen vacancies at the interface of Ru/m-ZrO₂ than Ru/t-ZrO₂ results in stronger EMSI, which facilitates higher dispersion of Ru and more Ru/ZrO₂ interfacial sites. The EMSI leads to electron rich Ru at the interface, which favors the stronger adsorption of m-cresol and facilitates DDO at the Ru/ZrO₂ interfacial perimeter sites. Consequently, the intrinsic reaction rate (22.07 µmol · g⁻¹ · min⁻¹) and turnover frequency (0.35 min⁻¹) of toluene formation on Ru/m-ZrO₂ at 350 °C are ∼4.0 and ∼1.5 times higher than those (5.56 µmol·g⁻¹·min⁻¹ and 0.24 min⁻¹) on Ru/t-ZrO₂, respectively. Moreover, the C<img>C hydrogenolysis and phenyl ring hydrogenation reactions catalysed by bare Ru are completely inhibited on Ru/m-ZrO₂, due to the significantly improved DDO activity at the interface of Ru/ZrO₂ resulting from EMSI. As a result, toluene yield of 86.3 % and aromatics yield of 90.7 % were achieved at 94.8 % m-cresol conversion on Ru/m-ZrO₂. This work provides insight into the crystal phase dependent EMSI to tune the metal/oxide interface as well as its consequences on hydrodeoxygenation reaction.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"449 ","pages":"Article 116233"},"PeriodicalIF":6.5,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144104361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The importance of gas purity in catalytic ammonia synthesis","authors":"Simon I. Hansen, Benjamin H. Sjølin, Ivano E. Castelli, Tejs Vegge, Anker D. Jensen, Jakob M. Christensen","doi":"10.1016/j.jcat.2025.116223","DOIUrl":"https://doi.org/10.1016/j.jcat.2025.116223","url":null,"abstract":"Catalysts for ammonia synthesis/decomposition are very sensitive to poisoning by oxygen-impurities in the feed. Here we show that the ≤1 ppm O-species present in the purest commercially available gasses can lead to a one order of magnitude drop in ammonia synthesis rate for an industrial Fe catalyst. Density Functional Theory calculations show that adsorbed O creates repulsive interactions that repel and destabilize N in neighboring sites. This inhibits the rate limiting N₂ dissociation and leads to the lower rate. A K/Ru/C catalyst also suffers from significant O-poisoning although the activity drop is only half as strong as for iron catalysts, indicating that O poisoning is a general phenomenon across different types of ammonia synthesis catalysts. An industrial Fe-based ammonia synthesis catalyst kept at room temperature can be used as a guard bed to clean the gas, but oxygen can start to penetrate the guard bed already at a 4.4 % O-coverage, and the capacity of a given guard bed therefore needs to be validated before an experimental campaign. Due to the severity of this effect and the unexpectedly low adsorption capacity of guard beds we recommend that future studies of ammonia synthesis and decomposition start by evaluating the efficiency and life-time of the O-removal measures using the protocols established here.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"31 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanistic pathways in the photocatalytic CO2 reduction on halide double perovskite Cs2NaBiX6 (X = Cl/Br/I)","authors":"Gaoyin Wang ,&nbsp;Jinfu Wu ,&nbsp;Ken Deng ,&nbsp;Qin Ding ,&nbsp;Weijie Chi ,&nbsp;Yue Tian ,&nbsp;Ping-Ping Sun","doi":"10.1016/j.jcat.2025.116228","DOIUrl":"10.1016/j.jcat.2025.116228","url":null,"abstract":"<div><div>Metal halide double perovskites have recently gained significant attention for their potential applications in optoelectronics, perovskite solar cells, and artificial photocatalysis owing to their tunable bandgaps, abundant activation sites, and favorable photocatalytic properties. Herein, the proton-assisted electron transfer CO₂ photoreduction reaction mechanism on Cs₂NaBiX₆ (X = Cl/Br/I) (100) and (110) surfaces with the aim to elucidate the photocatalytic activity of Cs₂NaBiX₆ catalysts is investigated by using first-principles calculations. The Cs₂NaBiX₆ perovskites demonstrate a strong correlation between their band energy levels and the redox potentials of CO₂ reduction products (e.g., HCOOH, HCOH, CO, and CH₄), underscoring their potential as efficient photocatalysts. Complete reduction pathways reveal that these double perovskites possess abundant active adsorption sites, with CO₂ reduction occurring successfully on Bi, Na, X and Cs sites. Notably, Bi sites emerge as the most effective activation centers on both surfaces, as they exhibit the lowest energy barriers for the rate-determining steps across the reduction pathway. For the proton-assisted two electron transfer process, CO₂ can be reduced to CO and HCOOH. However, HCOOH is more likely to undergo further reduction to CH₃OH or CH₄, rather than being released as a single product, due to the endothermic nature of the HCOOH* → HCOOH desorption step. CH₄ formation is thermodynamically favorable on both surfaces, but can only desorb from the (110) surface, while it remains strongly adsorbed on the (100) surface. The calculated pathways with the lowest energy barriers indicate that the (110) surfaces exhibit superior catalytic activity compared to the (100) surfaces. Intriguingly, the Cs₂NaBiX₆ perovskites display distinct scaling relations between key intermediates for the photocatalytic reduction to CO and CH₄. Among the studied systems, Cs₂NaBiBr₆ demonstrates the highest activity and selectivity for CO₂ reduction, with an activation barrier of 0.67 eV, outperforming Cs₂NaBiI₆ (0.74 eV) and Cs₂NaBiCl₆ (0.99 eV). These findings provide critical insights into the rational design of double perovskite photocatalysts for CO₂ reduction and highlight their potential for sustainable energy applications.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"449 ","pages":"Article 116228"},"PeriodicalIF":6.5,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097221","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ni catalyst on nanocrystal ZSM-22 boosting the deoxygenation-hydroisomerization of fatty acid to long-chain iso-alkanes with remarkable isomerization selectivity","authors":"Zitong Yan ,&nbsp;Lei Zhang ,&nbsp;Yingjie Shao ,&nbsp;Zhihao Shu ,&nbsp;Pengcheng Huang ,&nbsp;Wenqian Fu ,&nbsp;Tiandi Tang","doi":"10.1016/j.jcat.2025.116234","DOIUrl":"10.1016/j.jcat.2025.116234","url":null,"abstract":"<div><div>The catalytic conversion of biomass-derived fatty acids into <em>iso</em>-alkanes is a promising approach for producing high-quality renewable biofuels. Herein, Ni catalysts on nanocrystal ZSM-22 (<em>x</em>Ni/N-ZSM-22, <em>x</em> represents Ni loading) featuring an abundance of mesoporous structure and numerous accessible 10-member ring (10-MR) openings are prepared, and then tested for converting palmitic acid into long-chain <em>iso</em>-alkanes through a single-step process involving deoxygenation and hydroisomerization reactions. The catalyst with a Ni loading of 3.0 wt% (3.0Ni/N-ZSM-22) demonstrated the highest intrinsic reaction rate (13.6 × 10⁻⁴ mol·g⁻¹·h⁻¹) and TOF (14.2 h⁻¹) among <em>x</em>Ni/N-ZSM-22 catalysts. This catalyst also exhibited optimal <em>iso</em>-alkanes selectivity of 81.8 % (<em>iso</em>-hexadecanes and <em>iso</em>-pentadecanes), which can be attributed to the efficient synergy between the acid and metal functions. In comparison to a Ni catalyst on conventional ZSM-22 (58.4 %), the superior isomerization selectivity (81.8 %) of the 3.0Ni/N-ZSM-22 is closely related to its abundant mesoporous structure and more accessible 10-MR openings. Moreover, ketonization was identified as a significant pathway for palmitic acid deoxygenation based on kinetic analysis.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"449 ","pages":"Article 116234"},"PeriodicalIF":6.5,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144097154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}