Catalysis Science & Technology最新文献_第6页

High-throughput bubble screening for rapid design of multi-component alloy catalysts for efficient oxygen evolution 快速设计高效析氧多组分合金催化剂的高通量气泡筛选

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-30 DOI: 10.1039/d6cy00309e

Puchang Hou , Ruizhe Ru , Ziyong Zhang , Jinyan Xie , Lei Zhang , Fei Han , Guowei Li , Jun-Qiang Wang , Juntao Huo

{"title":"High-throughput bubble screening for rapid design of multi-component alloy catalysts for efficient oxygen evolution","authors":"Puchang Hou , Ruizhe Ru , Ziyong Zhang , Jinyan Xie , Lei Zhang , Fei Han , Guowei Li , Jun-Qiang Wang , Juntao Huo","doi":"10.1039/d6cy00309e","DOIUrl":"10.1039/d6cy00309e","url":null,"abstract":"<div><div>The sluggish four-electron oxygen evolution reaction (OER) with a high kinetic barrier remains the major bottleneck for industrial alkaline water electrolysis, motivating the development of efficient and durable non-noble metal catalysts. Multicomponent alloying offers a powerful route to tune OER-active sites through inter-element electronic interactions and synergistic redox chemistry. However, the enormous compositional space makes the rational optimization of elemental ratios labor-intensive and scientifically challenging. Here, we establish a product-bubble-based high-throughput screening strategy that directly correlates oxygen bubble evolution behavior with catalytic activity, enabling rapid identification of promising compositions from a continuously varied Al–Co–Ni–Fe–Mo multicomponent alloy library. Guided by this screening, we synthesize the target composition Al<sub>32</sub>Co<sub>37.5</sub>Ni<sub>8.5</sub>Fe<sub>10</sub>Mo<sub>12</sub> on nickel foam and further activate it <em>via</em> dealloying. Dealloying induces <em>in situ</em> reconstruction into vertically aligned nanosheet arrays, selectively leaches Al, enriches Co at the surface, and promotes the formation of high-valence metal species. As a result, the dealloyed sample delivers low overpotentials of 269 mV and 312 mV at 10 and 100 mA cm<sup>−2</sup> in 1.0 M KOH, respectively, and maintains stable operation at both current densities. This work provides a fast and intuitive pathway for screening and designing non-precious multicomponent OER catalysts with promising potential for practical water electrolysis applications.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3520-3527"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011633","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}

引用次数: 0

Supported carbon catalysts for the oxidative esterification of aldehydes, alcohols, and olefins 用于醛、醇和烯烃氧化酯化的负载碳催化剂

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-17 DOI: 10.1039/d5cy01579k

Krishnan Ravi , Jacky Advani , Sivashunmugam Sankaranarayanan , Adam F. Lee , Karen Wilson , Martin Muhler

{"title":"Supported carbon catalysts for the oxidative esterification of aldehydes, alcohols, and olefins","authors":"Krishnan Ravi , Jacky Advani , Sivashunmugam Sankaranarayanan , Adam F. Lee , Karen Wilson , Martin Muhler","doi":"10.1039/d5cy01579k","DOIUrl":"10.1039/d5cy01579k","url":null,"abstract":"<div><div>Esters play a critical role in industrial chemistry, serving as key components in the production of fine chemicals, polymers, and liquid fuels. Although traditionally synthesised by acid esterification, esters can also be prepared by the direct oxidative esterification of diverse starting materials, including aldehydes, alcohols and olefins. Metal oxides are promising heterogeneous catalysts for oxidative esterification, and their use in conjunction with a support phase affords synergies that can promote performance. Carbon supports are ubiquitous in catalysis due to their tuneable porosity, acid–base properties, high conductivity and chemical stability. This review discusses recent advances in the oxidative esterification of alcohols, aldehydes, alkenes, and alkynes over carbon-supported catalysts, outlining the commercial importance of esters and traditional esterification methods, and potential advantages of oxidative esterification. Methods to synthesise carbon catalysts and bifunctional heteroatom-doped analogues are introduced, with resulting structure–activity relationships for oxidative esterification highlighted, including the role of radicals. The resulting insight helps to identify strategies to circumvent current challenges in oxidative esterification and future opportunities to apply this methodology.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3464-3501"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011630","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}

引用次数: 0

Theoretical study on the selective adsorption, synergistic effects, and conversion of NO, NO2 and SO2 on Cug/PCN Cug/PCN对NO、NO2和SO2的选择性吸附、协同效应及转化的理论研究

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-14 DOI: 10.1039/d6cy00351f

Xue Yin , Wei Lin

{"title":"Theoretical study on the selective adsorption, synergistic effects, and conversion of NO, NO2 and SO2 on Cug/PCN","authors":"Xue Yin , Wei Lin","doi":"10.1039/d6cy00351f","DOIUrl":"10.1039/d6cy00351f","url":null,"abstract":"<div><div>This study employs density functional theory calculations to investigate the adsorption and conversion mechanisms of typical flue gas components (NO, NO<sub>2</sub>, and SO<sub>2</sub>) on geminal-copper pair anchored polymeric carbon nitride (Cu<sub>g</sub>/PCN). The results show that Cu<sub>g</sub>/PCN exhibits significantly stronger adsorption of NO and NO<sub>2</sub> than SO<sub>2</sub>. This high selectivity is primarily due to strong chemical bonding and substantial charge transfer between the Cu sites and NO/NO<sub>2</sub> species. A key finding is the quantitative confirmation of a significant attractive interaction (–ICOHP = 0.96 eV) between two co-adsorbed NO molecules, obtained <em>via</em> crystal orbital Hamiltonian population (COHP) analysis. This reveals a multi-molecular cooperative adsorption mechanism, which explains the exceptionally high adsorption strength of NO compared to predictions from single-molecule models. Furthermore, it provides a pre-activated configuration that facilitates subsequent efficient conversion of NO, such as the dimerization of 2NO to N<sub>2</sub>O. Free energy calculations confirm that this conversion pathway is thermodynamically highly favorable. This research provides a theoretical basis for designing flue gas purification materials that integrate sensing and catalytic functions and underscores the critical role of cooperative adsorption in complex multi-molecular environments.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3572-3579"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011666","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}

引用次数: 0

Structural steering of bismuth chalcogenides to oriented bismuth catalysts for efficient CO2 reduction 硫族铋高效CO2还原催化剂的结构转向

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-29 DOI: 10.1039/d6cy00175k

Yao Xia , Jiacheng Liu , Guodong Wu , Ying Shi , Dingding Dong , Junpeng Liu , Chi Wang , Dandan Feng , Yu Su , Huiwen Lin

{"title":"Structural steering of bismuth chalcogenides to oriented bismuth catalysts for efficient CO2 reduction","authors":"Yao Xia , Jiacheng Liu , Guodong Wu , Ying Shi , Dingding Dong , Junpeng Liu , Chi Wang , Dandan Feng , Yu Su , Huiwen Lin","doi":"10.1039/d6cy00175k","DOIUrl":"10.1039/d6cy00175k","url":null,"abstract":"<div><div>The electrochemical structural reconstruction of precatalysts opens up a promising avenue for the emergence of highly active phases in the carbon dioxide reduction reaction. However, steering this dynamic process toward specific crystalline facets remains a significant challenge. Herein, we demonstrate a precursor-mediated structural steering strategy using bismuth chalcogenide nanosheets as precatalysts. Despite similar macroscopic morphologies, the intrinsic lattice memory of the precatalyst dictates divergent reconstruction pathways. The layered rhombohedral Bi<sub>2</sub>Se<sub>3</sub> template facilitates the formation of highly {00<em>l</em>}-oriented metallic Bi nanograins, while the orthorhombic ribbon-like Bi<sub>2</sub>S<sub>3</sub> yields randomized polycrystalline Bi. Coaxial transmission Kikuchi diffraction, along with <em>in situ</em> spectroscopy, confirms that the {00<em>l</em>}-textured Bi(Se) surface stabilizes Bi with a unique, ordered lattice oxygen coordination environment. Mechanistic studies reveal that Bi coordinating with lattice O sites on the {00<em>l</em>} facets effectively suppresses the competitive hydrogen evolution while lowering the energetics for *OCHO formation, thereby achieving a peak faradaic efficiency of 95% for formate production. Shifting from the view of reconstruction as a chaotic event, this strategy provides a predictable relationship between precatalysts and their active states, which can be extended to the rational design of other metallic catalyst systems.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3598-3608"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011669","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}

引用次数: 0

Boosting the chemoselective production of biomass-derived butanediols by bifunctional Pd–WOx catalysts modified with MgOy species MgOy改性双功能Pd-WOx催化剂促进生物质丁二醇的化学选择性生产

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-24 DOI: 10.1039/d5cy01554e

Heng Huang , Haijie Yu , Jiayi Peng , Yueyue Tang , Renhui Ling , Jianjian Wang

{"title":"Boosting the chemoselective production of biomass-derived butanediols by bifunctional Pd–WOx catalysts modified with MgOy species","authors":"Heng Huang , Haijie Yu , Jiayi Peng , Yueyue Tang , Renhui Ling , Jianjian Wang","doi":"10.1039/d5cy01554e","DOIUrl":"10.1039/d5cy01554e","url":null,"abstract":"<div><div>Selective conversion of biomass to butanediol is considered a sustainable approach; however, realizing this process under mild conditions remains a significant challenge. Here, a series of Pd–WO<sub><em>x</em></sub>–MO<sub><em>y</em></sub> (M = Mg, Zr, Al and Cr) catalysts were synthesized by modifying Pd–WO<sub><em>x</em></sub> with various metal oxides. Among them, the Pd–WO<sub><em>x</em></sub>–MgO<sub><em>y</em></sub> catalyst exhibited an excellent catalytic performance in the conversion of biomass to butanediol. Typically, under optimal conditions (160 °C, 0.6 MPa H<sub>2</sub>, and 4 h), the Pd–WO<sub><em>x</em></sub>–MgO<sub><em>y</em></sub> catalyst achieved a high butanediol yield of 56.2%, surpassing the other three catalysts and those reported in recent studies. Comprehensive analyses revealed that the Pd–WO<sub><em>x</em></sub>–MgO<sub><em>y</em></sub> catalyst possessed appropriate acid sites that facilitate C–C bond cleavage and enhance H<sub>2</sub> adsorption and activation, thereby improving the yield of butanediol. Besides, the Pd–WO<sub><em>x</em></sub>–MgO<sub><em>y</em></sub> catalyst also exhibited excellent stability and substrate scope for BDO production.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3551-3558"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011637","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}

引用次数: 0

Base-free reduction of ketones using a bpy-iridium catalyst, focusing on the synthesis of γ-valerolactone 采用双铱催化剂对酮类进行无碱还原，重点研究了γ-戊内酯的合成

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-01 DOI: 10.1039/d6cy00010j

Liwei Guo , Zilong Li , Rémi Marchal , Boris Le Guennic , Cédric Fischmeister

引用次数: 0

Electrocatalytic CO2 reduction to C2+ products on CeO2-modified CuO catalyst ceo2改性CuO催化剂上电催化CO2还原为C2+产物

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-20 DOI: 10.1039/d6cy00147e

Chengcheng Feng , Ruizhi Duan , Qin Zhou , Linqi Liu , Mingrun Li , Chunmei Ding , Can Li

{"title":"Electrocatalytic CO2 reduction to C2+ products on CeO2-modified CuO catalyst","authors":"Chengcheng Feng , Ruizhi Duan , Qin Zhou , Linqi Liu , Mingrun Li , Chunmei Ding , Can Li","doi":"10.1039/d6cy00147e","DOIUrl":"10.1039/d6cy00147e","url":null,"abstract":"<div><div>Electrocatalytic CO<sub>2</sub> reduction reaction (CO<sub>2</sub>RR) for producing valuable multi-carbon (C<sub>2+</sub>) chemicals is considered very promising, yet the rational design of catalysts and the regulation of reaction pathways remain difficult. Here, <em>via</em> introducing CeO<sub>2</sub> on CuO catalyst, the Faradic efficiency of C<sub>2+</sub> products, including C<sub>2</sub>H<sub>4</sub> and ethanol, is obviously increased from 64% for CuO to as high as 87% for CeO<sub>2</sub>/CuO catalyst, along with a high partial current density of 0.52 A cm<sup>−2</sup>, and the C<sub>2</sub>H<sub>4</sub> : C<sub>2</sub>H<sub>5</sub>OH ratio is obviously decreased. After introducing CeO<sub>2</sub>, CO<sub>2</sub>/CO adsorption is greatly enhanced as the electronic structure of Cu sites is regulated by CeO<sub>2</sub>, and H<sub>2</sub>O dissociation is promoted owing to the interfacial synergistic effect between Cu and CeO<sub>2</sub>. More importantly, the C–C coupling process changes from an endothermic process to a spontaneous *CO or *CHO dimerization process, which is critical for the enhanced selectivity of C<sub>2+</sub> products. This work highlights that CeO<sub>2</sub> promotes C–C coupling in CO<sub>2</sub>RR toward C<sub>2+</sub> products on Cu-based catalysts by regulating adsorption properties.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3649-3656"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011674","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}

引用次数: 0

Elucidating activity-property relationships of dual catalysts for poly(ethylene terephthalate) depolymerisation 聚对苯二甲酸乙酯解聚双催化剂的活性-性能关系研究

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-15 DOI: 10.1039/d5cy01499a

Matt J. Price , Anna Bachs-Herrera , Arianna Brandolese , Yuya Watanabe , Matthew N. Grayson , Antoine Buchard , Andrew P. Dove

{"title":"Elucidating activity-property relationships of dual catalysts for poly(ethylene terephthalate) depolymerisation","authors":"Matt J. Price , Anna Bachs-Herrera , Arianna Brandolese , Yuya Watanabe , Matthew N. Grayson , Antoine Buchard , Andrew P. Dove","doi":"10.1039/d5cy01499a","DOIUrl":"10.1039/d5cy01499a","url":null,"abstract":"<div><div>Polyethylene terephthalate (PET) is one of the most prominent single-use plastics. It can be readily circularised <em>via</em> chemical depolymerisation to monomer and subsequent repolymerisation to deliver virgin quality PET from waste. Chemical recycling-to-monomer (CRM) approaches rely on catalysts to enhance the activity of the depolymerisation process. Recently, dual-catalytic systems that combine inexpensive and readily available Lewis acids with simple organobases have displayed cooperative catalytic activity, among the highest reported for these processes; however, their mechanism of action, alongside the large number of possible combinations, makes identifying ideal catalyst species challenging. In this manuscript, we systematically explore the relationship between metal Lewis acids and organobases and their impact on PET glycolysis activity. These studies reveal a relationship between metal acetate electronegativity and the p<em>K</em><sub>a</sub> of the organobase that can be used to predict the most active combination for a given metal salt or organobase. Furthermore, through preliminary DFT calculations, we demonstrate that the glycolysis likely follows a mechanism in which the base coordinates to the Lewis acid, acting as a single catalytic entity, and in which the acetate ligand assists with proton transfer.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3528-3535"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011634","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}

引用次数: 0

A critical review on indium zirconium oxide-based catalysts for the hydrogenation of carbon dioxide to methanol 氧化铟锆基二氧化碳加氢制甲醇催化剂的研究进展

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-09 DOI: 10.1039/d5cy01094b

Zhanshen Zhou , Xiancong Gao , Shiyou Xing , Wen Wang , Cuiyi Liang , Wei Liu , Wei Qi

引用次数: 0

Insights into the influence of various impurities on the stability of a Cu/SiO2 catalyst for the hydrogenation of dimethyl oxalate to ethylene glycol 不同杂质对Cu/SiO2催化剂对草酸二甲酯加氢制乙二醇稳定性的影响

IF 4 3区化学

Catalysis Science & Technology Pub Date : 2026-05-26 Epub Date: 2026-04-13 DOI: 10.1039/d6cy00012f

Suxian Wu , Yajun Li , Zhihuan Qiu , Jinglin Yang , Yuefei Wang , Tiantian Xiao , Jing Lv , Maoshuai Li , Xiaojun Bao , Xinbin Ma , Yue Wang

{"title":"Insights into the influence of various impurities on the stability of a Cu/SiO2 catalyst for the hydrogenation of dimethyl oxalate to ethylene glycol","authors":"Suxian Wu , Yajun Li , Zhihuan Qiu , Jinglin Yang , Yuefei Wang , Tiantian Xiao , Jing Lv , Maoshuai Li , Xiaojun Bao , Xinbin Ma , Yue Wang","doi":"10.1039/d6cy00012f","DOIUrl":"10.1039/d6cy00012f","url":null,"abstract":"<div><div>The impact of common impurities possibly involved in the industrial production process for the hydrogenation of dimethyl oxalate to ethylene glycol on the stability of a commercial Cu/SiO<sub>2</sub> catalyst is investigated. The presence of 1 wt% dimethyl carbonate or ethylene carbonate impurities in the pure dimethyl oxalate feedstock causes the apparent deactivation of the Cu/SiO<sub>2</sub> catalyst, and the deactivation rate depends on the amount of carbonaceous deposit, especially soft carbon, on the catalyst. Introducing 0.1 wt% NH<sub>4</sub>Cl to the catalyst leads to more severe deactivation in the very initial stage, which originates from silicon loss and rapid Cu agglomeration. Moreover, the final extent of catalyst deactivation correlates with the degree of agglomeration of Cu nanoparticles under different conditions. This work provides insights into the rarely discussed issue of the influence of impurities on industrial applications and enhances comprehension of the improvement in the stability of Cu/SiO<sub>2</sub>-based catalysts.</div></div>","PeriodicalId":66,"journal":{"name":"Catalysis Science & Technology","volume":"16 10","pages":"Pages 3639-3648"},"PeriodicalIF":4.0,"publicationDate":"2026-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148011673","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}

引用次数: 0