Catalysis Science & Technology最新文献

{"title":"Controlling the electron–hole separation in photo-assisted C–C coupling reactions catalysed by a RuO2–ZnO heterojunction loaded with ultra trace palladium","authors":"Tonmoy J. Bora ,&nbsp;Donguk Kim ,&nbsp;Young-Bin Park ,&nbsp;Gaurisankar Phukan ,&nbsp;Shamim Islam ,&nbsp;Arpita Devi ,&nbsp;Kusum K. Bania","doi":"10.1039/d5cy01590a","DOIUrl":"10.1039/d5cy01590a","url":null,"abstract":"<div><div>Zinc-oxide (ZnO) in combination with ruthenium-oxide (RuO₂) appeared to be an effective light harvesting heterojunction, controlling the electron (e⁻) and hole (h⁺) recombination rate. An ultra-trace amount of palladium (Pd) loaded into this RuO₂–ZnO hybrid heterojunction enabled a new, sustainable, cost-effective yet highly efficient non-free radical photocatalytic pathway for the Suzuki–Miyaura cross-coupling (SMCC) reaction, achieving superior selectivity and biaryl product yields over existing methods. Although research has aimed at improving photocatalysts' performance in SMCC, no study has yet been performed to understand such heterojunctions in the photocatalytic SMCC reaction. In the catalyst, ZnO retained its original role by absorbing UV-light, while RuO₂, on the other hand, played a crucial role as a quasi-metallic co-catalyst favouring charge-carrier transportation. This cooperative charge-management strategy resulted in prolonged charge separation, enhanced redox-activity, and maximized the utilization of Pd centres. The reaction proceeded with 100% selectivity and provided excellent yields (up to 98%) within a very short reaction time of 70 min in a greener methanol/water (MeOH/H₂O) solvent system. Some of the resulting SMCC keto-derivative products were reduced to synthesize a new range of important alcohol derivatives, further expanding the study. An in-depth kinetic study provided deeper insight into the reaction dynamics, while a systematic mechanistic analysis elucidated the charge carriers involved. Density functional theory (DFT) analysis was also performed to examine and compare the interactions involved in the photocatalysts. This work thus demonstrated a photostable, heterogeneous, recyclable, cost-effective, non-free radical and greener photocatalytic pathway for the SMCC reaction, highlighting the potential of multi-component semiconductor–metal architectures in the selective SMCC reaction with significantly low Pd loading.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3160-3182"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967904","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":"Modulating hydrocarbon coverage on Mo-doped RuO2 anodes enables energy-efficient and selective Kolbe electrolysis","authors":"Jian Yang ,&nbsp;Fan Lin ,&nbsp;Shaojie Lei ,&nbsp;Zichen Li ,&nbsp;Hui Zhang ,&nbsp;Zhibao Huo ,&nbsp;Dezhang Ren","doi":"10.1039/d6cy00153j","DOIUrl":"10.1039/d6cy00153j","url":null,"abstract":"<div><div>The development of efficient and low-energy-consumption electrocatalytic decarboxylation (Kolbe electrolysis) is of great significance for the conversion of biomass-derived carboxylic acids into high-grade hydrocarbon fuels. RuO₂ is considered a promising anode material. However, its intrinsic high activity towards the oxygen evolution reaction (OER) poses challenges in terms of reaction selectivity and high driving potentials in practical applications. This study investigated the modulation of RuO₂ electrode performance through the systematic screening of various metal dopants (Mo, Ta, Zr, W, Sn). Results show that while doping generally enhances the OER, certain dopants sustain decarboxylation under high potentials by suppressing the OER <em>via</em> hydrocarbon product coverage. Among them, the Mo-doped RuO₂ coating improved decarboxylation selectivity and faradaic efficiency to some extent while facilitating product desorption to inhibit interface resistance increase. By further optimizing the doping ratio and calcination temperature, the resulting RuO₂-5%Mo anode achieved a remarkable reduction in cell voltage (by approximately 1 V) in the presence of OA during constant-current electrolysis, leading to a ∼20% decrease in energy consumption per unit product compared to undoped RuO₂, alongside good stability over 10 cycles. This work provides new material design strategies and mechanistic insights for developing Kolbe electrolysis anodes with high selectivity and low energy consumption.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3255-3268"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967937","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":"Planar ReN1S1 sites with dual σ-channels drive high-performance CO2 photoreduction","authors":"Hao Sheng ,&nbsp;Shaokui Chen ,&nbsp;Guocheng Huang ,&nbsp;Jialong Lv ,&nbsp;Guiting Huang ,&nbsp;Wenjun Yang ,&nbsp;Ziyan Chen ,&nbsp;Shaoyu Wu ,&nbsp;Yueling Chen ,&nbsp;Jinhong Bi","doi":"10.1039/d6cy00111d","DOIUrl":"10.1039/d6cy00111d","url":null,"abstract":"<div><div>Although covalent organic frameworks (COFs) provide an adjustable platform for visible-light-driven CO₂ reduction, their practical application is fundamentally limited by the lack of active sites for polarizing the CO bond and the low efficiency of long-range charge transport. Here, we designed an olefin-linked donor–acceptor COF (Py-2CN-COF) and anchored atomically dispersed rhenium (Re) single atoms (SAs) to create a planar ReN₁S₁ coordination motif that functioned as a dual-channel electron sink. This structure shortened exciton diffusion, reduced the exciton binding energy from 112.28 to 100.26 meV, extended the carrier lifetime from 0.786 to 1.157 ns, and directed photogenerated electrons efficiently to the active sites. The optimized Re₃-Py-2CN-COF achieved a CO production rate of 119.5 μmol g⁻¹ h⁻¹ with 92.3% selectivity under visible light without sacrificial agents, which is a 12.7-fold enhancement over the pristine COF. <em>In situ</em> Fourier transform infrared (FT-IR) spectroscopy unveiled a *CO₂ → *COOH → *CO pathway, and theoretical calculations confirmed that the Re center lowered the adsorption energy of CO₂ from −0.23 to −0.93 eV, extended the CO bond length from 1.17 to 1.23 Å and injected 0.22 e⁻ into CO₂. This work establishes in-plane ReN₁S₁ coordination as an effective structural strategy to accelerate proton-coupled electron transfer, providing a general design principle for developing highly efficient and selective COF photocatalysts toward sustainable CO₂ valorization.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3396-3403"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967843","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":"Development to application in single atom catalysis: a comprehensive review","authors":"Rajesh Sahu ,&nbsp;Sakshi Juyal ,&nbsp;Fateh Singh Gill ,&nbsp;Ankur Jain","doi":"10.1039/d5cy01386k","DOIUrl":"10.1039/d5cy01386k","url":null,"abstract":"<div><div>With their unique reaction processes, customizable electronic architectures, and maximum atom efficiency, single-atom catalysts (SACs) are a revolutionary development in catalytic materials. These characteristics put them in a crucial position to bridge the gap between heterogeneous and homogeneous catalysis. Recent developments in the production, characterization, and use of SACs in a range of catalytic processes, including thermal, electrochemical, and photocatalytic, are thoroughly examined in this review. We investigate advanced synthetic techniques that enable the accurate control of metal atom dispersion and local coordination environments, such as atomic layer deposition, wet-chemical approaches, and high-temperature pyrolysis. Despite these notable developments, there are still many challenges. Clarifying dynamic structural changes during catalysis, guaranteeing stability and durability under operating settings, and scaling up production processes are some of the main issues. The development of multifunctional SACs and the broad use of operando characterization methods to identify basic chemical pathways are promising directions for future research. This review attempts to provide valuable insights that can spur future innovation in the dynamic and rapidly changing field of single-atom catalysis by critically evaluating current challenges and new opportunities.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3058-3081"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967892","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":"Interaction between Pt nanoparticles and a bamboo charcoal support regulates hydrodeoxygenation of 5-hydroxymethylfurfural under mild conditions","authors":"Dong Guo ,&nbsp;Fangtong Chen ,&nbsp;Haoran Ming ,&nbsp;Xianglong Liu ,&nbsp;Changfu Zhuang ,&nbsp;Chungang Min ,&nbsp;Xiaoqin Zou ,&nbsp;Ying Wang","doi":"10.1039/d6cy00347h","DOIUrl":"10.1039/d6cy00347h","url":null,"abstract":"<div><div>A bifunctional catalyst (Pt_<em>x</em>/BC) was prepared using bamboo charcoal (BC) with high specific surface area and multi-level pores as a support. The hydrogenation sites and acidic sites in Pt_<em>x</em>/BC can be regulated by Pt loading. Under mild conditions of 120 °C, 0.5 h and 2 MPa H₂, Pt₁/BC achieved a DMF yield of 99.9%, which was 4 and 1.3 times that of Pt_0.5/BC and Pt₂/BC, respectively, while commercial Pt/C did not generate DMF. Characterization and DFT calculations indicate that Pt loading optimizes the electron density and content of Pt⁰, and enhances Lewis acidity. This is conducive to the activation of CO in HMF and C–O in the intermediate. Control experiments and DFT calculations confirm the reaction pathway.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3144-3149"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967902","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":"Water-enhanced bifunctional metal–acid catalyst for CC bond hydrogenation","authors":"Shoutian Sun ,&nbsp;Gengnan Li ,&nbsp;Thomas Salas ,&nbsp;Daniel E. Resasco ,&nbsp;Bin Wang","doi":"10.1039/d6cy00011h","DOIUrl":"10.1039/d6cy00011h","url":null,"abstract":"<div><div>Water-assisted proton shuttling can promote hydrogenation of polar functional groups, and it is generally believed that such an effect can be hardly applied to hydrogenation of CC bonds due to the latter's weak interaction with water. Here, we report density functional theory calculations and metadynamics simulations, through which we show a dynamic bifunctional metal–acid site that can be transformed, when interacting with water, into an active configuration for unexpected water-enhanced proton shuttling to CC bonds. In particular, we investigated B(OH)₃ anchored to a Ni catalyst for hydrogenation of cyclohexene in an organic solvent, which showed in experiments an increased rate by 100 times when adding a small amount of water. Metadynamics simulations suggest that a B(OH)₃–H₂O cluster can form on Ni(111), which promotes the proton transfer in the first hydrogenation step, while the second hydrogenation is still driven by metal-mediated direct H-transfer. The recovery process of B(OH)₃–H₂O also involves a proton shuttling step. We find that the boric species on the surface serves as an electron reservoir and carries the negative charge to balance the positive charge in the proton transfer steps. This work thus provides fundamental insights into this dynamic transformation process of the metal–acid interface, which can in principle be applied to many other bifunctional systems for hydrogenating non-polar unsaturated groups by engineering the interfacial charge separation.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3229-3235"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967908","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":"Electronic structure modulation of a Mo-doped NiO/Ni bifunctional electrocatalyst for efficient urea-assisted water splitting","authors":"Shahid Khan ,&nbsp;Yang Lina ,&nbsp;Yafei Feng ,&nbsp;Mingyu Cheng ,&nbsp;Nazir Ahmad ,&nbsp;Genqiang Zhang","doi":"10.1039/d5cy01487e","DOIUrl":"10.1039/d5cy01487e","url":null,"abstract":"<div><div>Urea oxidation-assisted hydrogen production provides an energy-efficient and sustainable alternative to conventional water electrolysis by significantly reducing the required cell voltage. However, developing bifunctional catalysts with high activity, long-term stability and bifunctionality remains an ongoing challenge. Here, the electronic structure of NiO/Ni is precisely modulated through molybdenum (Mo) incorporation, enabling simultaneous enhancement of the hydrogen evolution reaction (HER) and urea oxidation reaction (UOR). The resulting Mo–NiO/Ni catalyst, obtained <em>via</em> simple electrodeposition followed by an annealing approach, exhibits outstanding activity and durability, requiring cell voltages of 1.33 and 1.62 V to achieve 10 and 100 mA cm⁻², respectively, for overall urea electrolysis, which are 170 and 200 mV lower than those of overall water electrolysis under the same conditions. Density functional theory (DFT) calculations reveal that Mo doping optimizes the electronic configuration of NiO/Ni, lowers the activation barrier of urea dehydrogenation and approaches thermoneutral hydrogen adsorption. This work demonstrates an effective electronic structure engineering strategy for designing efficient bifunctional catalysts toward low-energy hydrogen production coupled with urea degradation.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3269-3279"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967938","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":"Product distribution in the silicatein-catalysed synthesis of polydimethylsiloxane","authors":"Yuqing Lu ,&nbsp;Lu Shin Wong","doi":"10.1039/d6cy00067c","DOIUrl":"10.1039/d6cy00067c","url":null,"abstract":"<div><div>Biocatalytic polymerisations of monomeric siloxane precursors to polysiloxane “silicone” polymers were recently reported. This study further investigates the polymerisation and depolymerisation of poly(dimethylsiloxane) from the monomeric precursor dimethyldimethoxysilane, catalysed by recombinant enzyme silicatein-α. Here, product distributions were systematically examined to assess the reaction outcome over time, and to deduce the pathways by which both linear polymers and small cyclic oligomers were produced. The results showed that short-chain oligomers were the predominant products at the early stage of the reaction, which subsequently polymerised into longer linear chains within 48 hours, reaching <em>Z</em>-averaged molecular weights of approximately 2000 Da. As the reaction progressed, the long-chain polymers underwent partial degradation into small amounts of cyclic oligomers under enzyme-catalysed conditions. However, the cyclic species did not undergo ring-opening polymerisation to linear chains under the same conditions. The system appeared to reach an equilibrium between polymer growth and degradation after 96 hours. These findings provide a foundation for further exploration of silicatein-catalysed polymerisation and highlight its potential for developing strategies for the sustainable synthetic manipulation of silicone polymers.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3183-3189"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147669100","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":"Enhanced N2 capture and cleavage promoted by lithium nanoparticles","authors":"José Miguel Doña-Rodríguez ,&nbsp;Raúl Quesada-Cabrera ,&nbsp;Douglas R. MacFarlane ,&nbsp;Alexandr N. Simonov ,&nbsp;Luis Miguel Azofra","doi":"10.1039/d6cy00192k","DOIUrl":"10.1039/d6cy00192k","url":null,"abstract":"<div><div>Activation of N₂ with metallic lithium is a key step of the lithium redox-mediated nitrogen reduction reaction (Li-NRR) – a process that can enable practical ammonia electrosynthesis under mild conditions. Our present DFT study revealed that N₂ capture and NN bond cleavage is substantially enhanced on and within Li⁰ nanoparticles as compared to bulk slabs. This behaviour is not limited to single-molecule adsorption but is also observed during the successive capture of additional N₂ molecules. The results presented herein might assist in the design of higher performance Li-NRR systems.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3137-3143"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967901","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 gold(i)-catalyzed hydrophosphoryloxylation of alkynes or 1-haloalkynes with diphenyl phosphate","authors":"Ling Chen ,&nbsp;Boling Song ,&nbsp;Mingzhong Cai","doi":"10.1039/d6cy00122j","DOIUrl":"10.1039/d6cy00122j","url":null,"abstract":"<div><div>A mesoporous SBA-15-anchored phosphine-gold(<span>i</span>) complex [SBA-15-Ph₂P-AuCl] was prepared <em>via</em> immobilization of 3-(diphenylphosphino)propyltriethoxysilane onto SBA-15, followed by reaction with Me₂SAuCl. With the use of 5 mol% SBA-15-Ph₂P-AuCl as a catalyst and 5 mol% AgPF₆ as a cocatalyst, the hydrophosphoryloxylation reaction of alkynes with diphenyl phosphate proceeded smoothly in toluene under mild conditions to deliver a wide array of kinetic enol phosphates in good to excellent yields with wide tolerance of functional groups. Besides, the regio- and stereoselective hydrophosphoryloxylation of 1-haloalkynes with diphenyl phosphate also proceeded effectively in the presence of 5 mol% SBA-15-Ph₂P-AuCl/AgOTf in toluene at 50 °C, affording (<em>Z</em>)-alkenyl halophosphates in high yields. This new heterogenized phosphine-gold(<span>i</span>) catalyst could be conveniently recovered by centrifugation of the reaction mixture and recycled several times without a significant loss of catalytic activity.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 9","pages":"Pages 3206-3217"},"PeriodicalIF":4.0,"publicationDate":"2026-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967906","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}