Catalysis Science & Technology最新文献

{"title":"Outstanding Reviewers for Catalysis Science & Technology in 2024","authors":"","doi":"10.1039/D5CY90057C","DOIUrl":"https://doi.org/10.1039/D5CY90057C","url":null,"abstract":"<p >We would like to take this opportunity to thank all of <em>Catalysis Science &amp; Technology</em>'s reviewers for helping to preserve quality and integrity in chemical science literature. We would also like to highlight the Outstanding Reviewers for <em>Catalysis Science &amp; Technology</em> in 2024.</p>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":" 16","pages":" 4611-4611"},"PeriodicalIF":4.2,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fischer–Tropsch synthesis of CO2-rich syngas using a CoRu-KIT-6 catalyst in a 3D-printed stainless steel (SS) microchannel microreactor†","authors":"Sujoy Bepari, Nafeezuddin Mohammad and Debasish Kuila","doi":"10.1039/D5CY00673B","DOIUrl":"https://doi.org/10.1039/D5CY00673B","url":null,"abstract":"<p >A CoRu-KIT-6 catalyst, prepared by a one-pot hydrothermal method, was used for Fischer–Tropsch synthesis (FTS) of syngas containing CO<small>₂</small> in a 3D-printed stainless-steel microchannel microreactor (SSMR) at 20 bar. The catalyst was characterized using N<small>₂</small> adsorption–desorption isotherm measurement, field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), H<small>₂</small>-temperature programmed reduction (H<small>₂</small>-TPR), CO<small>₂</small>-temperature programmed desorption (CO<small>₂</small>-TPD) and X-ray photoelectron spectroscopy (XPS) techniques. While the surface area from the N<small>₂</small> adsorption–desorption isotherm is quite high (690.4 m<small>²</small> g<small>⁻¹</small>), with low reduction temperatures (H<small>₂</small>-TPR) of the metals, the low-angle XRD, SEM, and TEM studies show that the ordered mesoporous structure of KIT-6 is conserved after the addition of Co and Ru metals. The bimetallic catalyst was used to investigate the effect of reaction temperature and CO<small>₂</small> concentration (by volume) in feed gas mixtures on the conversion of CO and CO<small>₂</small> in modified FTS. Four different volume compositions of CO<small>₂</small>/CO/H<small>₂</small> (10 : 30 : 60, 25 : 25 : 50, 40 : 20 : 40, and 70 : 10 : 20) were used for modified FTS in the temperature range of 210 to 350 °C. While CO<small>₂</small> conversion increases with rising reaction temperature, CO conversion is adversely affected by the higher CO<small>₂</small> concentration in the feed. The Co-Ru-KIT-6 catalyst exhibits excellent catalytic activity, achieving higher conversion and hydrocarbon selectivity with CO<small>₂</small>-rich syngas. The CO<small>₂</small>-rich syngas composition (CO<small>₂</small> : CO : H<small>₂</small> = 25 : 25 : 50) at 350 °C showed the best result for CO conversion of 82.3%, CO<small>₂</small> conversion of 28.1% and higher selectivity to longer chain hydrocarbons (C<small>₅₊</small>), 79.1%.</p>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":" 19","pages":" 5700-5712"},"PeriodicalIF":4.2,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Strengthening P–S bonding in TiO2 for enhanced fuel cell startup/shutdown durability with an N, P, S–TiO2/S–TiN catalyst†","authors":"Mitsuharu Chisaka, Jubair A. Shamim and Hirofumi Daiguji","doi":"10.1039/D5CY00601E","DOIUrl":"https://doi.org/10.1039/D5CY00601E","url":null,"abstract":"<p >Durability is crucial in polymer electrolyte fuel cells (PEFCs). The carbon supports currently employed in cathodes are oxidized during startup/shutdown, by increasing the cathode potential up to 1.5 V, causing the supported platinum–cobalt (PtCo/C) catalysts to lose activity. Therefore, system-level measures are currently used to control the potential below 1.0 V, which increases the cost of PEFCs. A recently reported S-doped TiN-supported N, P, S-tridoped TiO<small>₂</small> catalyst is a promising candidate to replace currently available PtCo/C catalysts because, unlike other platinum group metal (PGM)-free catalysts, it is free from carbon supports. During the startup/shutdown cycles, the doped N<small>³⁻</small> and S<small>²⁻</small> anions substituted for O<small>²⁻</small> in the TiO<small>₂</small> lattice were stable, but some of the P<small>⁵⁺</small> cations substituted for Ti<small>⁴⁺</small> were removed from the TiO<small>₂</small> surface, causing activity loss. Herein, P<small>⁵⁺</small> dopants are stabilized by increasing the S<small>²⁻</small> doping level, resulting in excellent startup/shutdown durability and enhanced intrinsic activity. The resulting reduction of half-wave potential after 5000 cycles between 1.0 and 1.5 V is the lowest of any reported PGM-free catalysts, at only 0.02 V. The P–S bonds formed in the TiO<small>₂</small> lattice were found to be responsible for the durability of P<small>⁵⁺</small>, which provides a new strategy to accelerate the development of low-cost PGM-free catalysts with excellent durability.</p>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":" 19","pages":" 5669-5677"},"PeriodicalIF":4.2,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183937","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic effect of acidic sites and mesoporous confinement in Ce-doped Ru/SBA-15 catalysts for efficient hydrogenolysis of low-density polyethylene to liquid fuels†","authors":"Zhenghang Ren ,&nbsp;Zhicheng Luo ,&nbsp;Huiyan Zhang","doi":"10.1039/d5cy00437c","DOIUrl":"10.1039/d5cy00437c","url":null,"abstract":"<div><div>The chemical upcycling of waste plastics into liquid fuels offers a promising approach to mitigating plastic pollution and reducing reliance on fossil resources. However, optimizing product distribution while enhancing the efficiency of hydrogenolysis remains a significant challenge. Herein, we report a multifunctional Ru-Ce/SBA-15 catalyst, which features uniformly dispersed Ru nanoparticles embedded within the mesoporous channels of SBA-15 <em>via</em> precise impregnation, and additional acidic sites introduced by Ce doping. Under optimized conditions (280 °C, 35 bar H₂), the catalyst achieves an exceptional low-density polyethylene (LDPE) conversion rate of 939 g_p g_Ru⁻¹ h⁻¹ and produces a narrow hydrocarbon range (C₈–C₂₅) ideal for liquid fuels. Comparative screening experiments demonstrate that the Ru-Ce/SBA-15 catalyst significantly outperforms commercial Ru, Pt, and Pd catalysts. Mechanistic investigations reveal that Ru within the mesopores facilitates hydrogen activation and C–C bond cleavage, whereas Ce doping enhances acidity, leading to controlled polymer chain scission and enhanced selectivity. The synergistic effect of acidic sites and mesoporous confinement, along with robust stability over multiple cycles, provide a solid theoretical foundation for designing next-generation catalysts for sustainable waste-to-fuel technologies.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"15 16","pages":"Pages 4727-4740"},"PeriodicalIF":4.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A metal-free porous organic polymer-based heterogeneous catalyst for the borrowing hydrogen-mediated N-alkylation of sulfonamides with alcohols†","authors":"Ragupathi Vijay ,&nbsp;Dasari Yogesh ,&nbsp;Ramasamy Shanmugam ,&nbsp;Nakka Lingaiah ,&nbsp;Thanasekaran Ponpandian ,&nbsp;Gunniya Hariyanandam Gunasekar","doi":"10.1039/d5cy00562k","DOIUrl":"10.1039/d5cy00562k","url":null,"abstract":"<div><div>The development of green and sustainable borrowing hydrogen catalysis without using expensive and toxic metals is a challenging task. Herein, a highly stable, low-cost, metal-free heterogeneous carbocatalyst has been developed for the first time to mediate the <em>N</em>-alkylation of sulfonamides with alcohols <em>via</em> borrowing hydrogen catalysis. The designed 1,10-phenanthroline (Phen)-functionalized porous organic polymer-based carbocatalyst (Phen-POP) efficiently produces <em>N</em>-alkylated sulfonamides in good yields, performing on par with the transition-metal-based catalysts. Computational studies show that the electronegative N present in the Phen unit pulls the electron density from the adjacent C atom, making it more electron-deficient, which in turn boosts the transfer of hydride to the substrates. The prepared Phen-POP catalyst is highly robust and can be reused for at least five cycles without significant activity loss. Further, a scalable protocol has been successfully demonstrated at the gram-scale (5.0 g) with isolation of pure product without any chromatography. Therefore, this work provides a promising module to realize the synthesis of <em>N</em>-alkylated sulfonamides with alcohols on an industrial scale, and a design strategy to develop metal-free systems for many other borrowing hydrogen catalysis.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"15 16","pages":"Pages 4684-4691"},"PeriodicalIF":4.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recyclable copper(i)-catalyzed coupling of 1-bromo-2-iodobenzenes and β-keto esters in bioderived 2-MeTHF: green synthesis of 2,3-disubstituted benzofurans†","authors":"Ling Chen ,&nbsp;Qian Ye ,&nbsp;Yan Wang ,&nbsp;Mingzhong Cai","doi":"10.1039/d5cy00243e","DOIUrl":"10.1039/d5cy00243e","url":null,"abstract":"<div><div>A mesoporous SBA-15-anchored <em>N</em>-heterocyclic carbene (NHC)-copper(<span>i</span>) complex [SBA-15-NHC-CuI] was prepared <em>via</em> immobilization of 1,1′-(butane-1,4-diyl)bis(3-(3-(triethoxysilyl)propyl)-1<em>H</em>-imidazol-3-ium) chloride onto SBA-15, followed by reaction with CuI and NaO^<em>t</em>Bu. With the use of SBA-15-NHC-CuI (10 mol% Cu) as a catalyst, the domino C–C/C–O coupling reaction between 1-bromo-2-iodobenzenes and β-keto esters proceeded smoothly in bioderived 2-MeTHF at 110 °C with K₂CO₃ as a base to deliver a wide array of 2,3-disubstituted benzofurans in good to high yields with a wide tolerance of functional groups. This new heterogenized NHC-copper(<span>i</span>) catalyst could be facilely recovered by centrifugation of the reaction mixture and recycled up to eight cycles without a significant loss of catalytic activity.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"15 16","pages":"Pages 4702-4712"},"PeriodicalIF":4.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanism and origin of stereoselectivity and regioselectivity in cobalt-catalyzed C–H functionalization of arylphosphinamide†","authors":"Chuanchuan Luo ,&nbsp;Saibo Cao ,&nbsp;Hao-Ran Yang ,&nbsp;Yang Wang","doi":"10.1039/d5cy00519a","DOIUrl":"10.1039/d5cy00519a","url":null,"abstract":"<div><div>The cobalt-catalyzed C–H functionalization of arylphosphinamides is a promising strategy for constructing P-containing scaffolds but has been mechanistically underexplored. We perform a density functional theory (DFT) study to elucidate the mechanism and origins of selectivities for this transformation. The computational results reveal a stepwise pathway involving sequential N–H and C–H activation followed by alkyne insertion and reductive elimination. The C–H cleavage and alkyne insertion are identified as the stereoselectivity-determining processes, and alkyne insertion is identified as the regioselectivity-determining step. The pronounced S-selectivity arises from a larger number of noncovalent interactions in the low-energy transition state compared with the higher energy transition state. The regioselectivity is determined using a frontier molecular orbital (FMO) analysis. The results of this study provide valuable insights into the underlying chemistry of the Co-catalyzed C–H functionalization of arylphosphinamide.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"15 16","pages":"Pages 4750-4758"},"PeriodicalIF":4.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cooperative activation of H2 with H2O or NH3 enables efficient furfural upgradation over Ni2P/REPO4 catalysts: a family feature of lanthanide rare-earth phosphates†","authors":"Wen-yi Xu ,&nbsp;Chao Cheng ,&nbsp;Wei-ming Xiao ,&nbsp;Sheng-jun Deng ,&nbsp;Shun-li Shi ,&nbsp;Dan Zhao ,&nbsp;Shu-hua Wang ,&nbsp;Shun-min Ding ,&nbsp;Chao Chen","doi":"10.1039/d5cy00517e","DOIUrl":"10.1039/d5cy00517e","url":null,"abstract":"<div><div>The innovation of effective catalysts capable of cooperatively activating multiple small molecules is of great importance for boosting the corresponding chemical upgradation. Here, the potential of lanthanide rare-earth phosphates (REPO₄) for activating H₂, H₂O and NH₃ was demonstrated by integrating nine rare-earth components (RE = La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, and Y) in Ni–RE–P catalysts for converting furfural into cyclopentanone (CPO) or furfurylamine (FFA). ICP-OES, XRD, XPS, SEM, and HRTEM characterizations revealed that these catalysts possessed a structure of Ni₂P supported on REPO₄ (Ni₂P/REPO₄), with an Ni mass loading of around 10%. Under mild pressures of 0.5–1.0 MPa, significant enhancements in catalytic performance were exhibited by the Ni₂P/REPO₄ catalysts versus Ni₂P/SiO₂, such as 75–90% <em>vs.</em> 4% in terms of CPO yield and 67–99% <em>vs.</em> 22% in terms of FFA yield. These results position Ni₂P/REPO₄ among the top-performing catalysts reported to date. Using isotope tracing, <em>in situ</em> IR spectroscopy, TPD-MS measurements and DFT calculations, the catalytic superiority of Ni₂P/REPO₄ could be attributed to its ability to cooperatively activate H₂ with H₂O or NH₃ using REPO₄. Specifically, RE and O sites on REPO₄ could function as acid–base pair sites with comparable distribution and strength, essential for facilitating the cooperative activation of these small molecules and facilitating the complicated mechanism for the three-molecule-involved furfural upgradation conversions. These results highlighted the family feature of REPO₄ as a versatile and efficient component for catalytic transformations involving multiple small molecules, providing a new reference for designing outstanding multi-functional catalytic systems with a simple composition to advance the corresponding chemical engineering applications.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"15 16","pages":"Pages 4798-4815"},"PeriodicalIF":4.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic catalysis of chloroalkane dehydrochlorination with acetylene hydrochlorination by immobilized ionic liquid–metal ion co-catalysts: a DFT study†","authors":"Yangzhen Jin ,&nbsp;Yebin Zhou ,&nbsp;Pengze Zhang ,&nbsp;Qiuyuan Xiang ,&nbsp;Kunming Liu ,&nbsp;Yi Liu ,&nbsp;Chunshan Lu ,&nbsp;Xiaonian Li","doi":"10.1039/d5cy00301f","DOIUrl":"10.1039/d5cy00301f","url":null,"abstract":"<div><div>Pronounced adsorption of HCl critically hinders the catalytic dehydrochlorination of halogenated hydrocarbons, leading to catalyst degradation or deactivation. Coupling this process with HCl-consuming acetylene hydrochlorination offers an effective strategy to mitigate this issue. Density functional theory (DFT) simulations at the PBE0/ma-TZVP level are employed to investigate the adsorption of reactants on a series of metal chlorides and their Cl⁻ complexes. Based on the adsorption energy data, a variety of co-catalysts with different characteristics are screened and their catalytic mechanisms are systematically investigated. The KCl–CuCl–ionic liquid catalyst has been theoretically proven to be the optimal catalyst, facilitating the dehydrochlorination of chloroalkanes (Δ<em>G</em> = 134.0 kJ mol⁻¹) and acetylene hydrochlorination (Δ<em>G</em> = 124.4 kJ mol⁻¹) through the different dissociation states of ionic liquids and metal salts. Furthermore, KCl inhibits multiple acetylene adsorption, accelerates olefin desorption, and hinders the formation of copper acetylide, thereby ensuring sustained catalytic stability.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"15 16","pages":"Pages 4783-4797"},"PeriodicalIF":4.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810737","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Single electron transfer (SET) and iodine-atom transfer radical addition (I-ATRA) induced cyclopropanation reaction: elucidating the role of iodine†","authors":"Krishnapriya Anattil Unnikrishnan ,&nbsp;Athul Santha Bhaskaran ,&nbsp;Surya K ,&nbsp;Rositha Kuniyil","doi":"10.1039/d5cy00257e","DOIUrl":"10.1039/d5cy00257e","url":null,"abstract":"<div><div>Mechanistic studies were conducted for the visible-light-mediated cyclopropanation reaction of alkenes with diazoacetate, catalyzed by a phenalenyl-based organic hydrocarbon (PLY) and co-catalysed by iodine, using DFT. In the absence of iodine, the system proceeds towards the hydroalkylation reaction, with the aid of aryl thiol. Both reactions were studied to understand the role of iodine in promoting the formation of cyclopropanes, the key structural units in pharmacophores. Our findings suggest that the single electron transfer (SET) will generate the transient iodine radical species, whereas the iodine atom transfer radical addition (I-ATRA) will construct the iodinated acetate radical moiety for the cyclopropanation reaction. On the other hand, the proton-coupled electron transfer (PCET) mechanism induces the formation of a protonated acetate radical for the hydroalkylation reaction. The negligible back donation from the lone pair orbital of iodine to the antibonding orbital of the newly generated C–C bond makes the iodine a better leaving group, thereby making the cyclisation feasible, validating the role of iodine in the cyclopropanation reaction. Various analysis techniques such as atoms in molecule, activation strain analysis, and energy decomposition analysis reveal that the favorable non-covalent interactions and steric effects promote the regioselective anti-Markovnikov radical addition over the Markovnikov radical addition.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"15 16","pages":"Pages 4692-4701"},"PeriodicalIF":4.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}