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Bimetallic Nickel and Cobalt nanoparticles supported on TiO2 as catalyst for the synthesis of 2-substituted benzimidazole by reductive amination-cyclization of 2-nitroaniline and aldehydes 负载在TiO2上的双金属镍和钴纳米颗粒作为催化剂,通过2-硝基苯胺和醛的还原氨基环化反应合成2-取代苯并咪唑
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-06-05 DOI: 10.1016/j.cattod.2025.115416
Daniela González-Vera , Edgardo Leal-Villarroel , Tatiana M. Bustamante , J.N. Díaz de León , Lucia Camarena , Marcelo E. Domine , Cecilia C. Torres , Cristian H. Campos
{"title":"Bimetallic Nickel and Cobalt nanoparticles supported on TiO2 as catalyst for the synthesis of 2-substituted benzimidazole by reductive amination-cyclization of 2-nitroaniline and aldehydes","authors":"Daniela González-Vera ,&nbsp;Edgardo Leal-Villarroel ,&nbsp;Tatiana M. Bustamante ,&nbsp;J.N. Díaz de León ,&nbsp;Lucia Camarena ,&nbsp;Marcelo E. Domine ,&nbsp;Cecilia C. Torres ,&nbsp;Cristian H. Campos","doi":"10.1016/j.cattod.2025.115416","DOIUrl":"10.1016/j.cattod.2025.115416","url":null,"abstract":"<div><div>The benzimidazole nucleus finds respectable space and interest among nitrogen heterocycles, whether for its applications or the number of synthetic methodologies employed in their preparation. Recent trends show that interest in the scientific fraternity is now bending towards exploring the use of bimetallic NiCo-based heterogeneous catalysts for the synthesis of benzimidazoles. This work is aimed at the development of new catalytic systems obtained from the H<sub>2</sub>-assisted reduction of Ni<sub>x</sub>Co<sub>1–x</sub>TiO<sub>3</sub> mixed oxides to produce bimetallic Ni<sub>x</sub>Co<sub>1–x</sub>/TiO<sub>2</sub> (x = 0.0, 0.1, 0.3, 0.5, and 1.0) catalysts for the tandem selective production of 2-substituted benzimidazole scaffolds from 2-nitroaniline and aldehydes. The physicochemical characterization displayed the formation of the NiCo alloy supported on TiO<sub>2</sub>-rutile and the active phase are almost in the zero-valent state after the reduction treatment. The catalytic activity showed that all the catalysts are active in the tandem synthesis of 2-benzimidazole, and the selectivity to the target product is a function of the Ni content in the catalyst. The most efficient and selective system was Ni<sub>0.1</sub>Co<sub>0.9</sub>/TiO<sub>2</sub>, which remained active after 10 consecutive cycles. The Ni<sub>0.1</sub>Co<sub>0.9</sub> composition in the catalyst formulation affords optimal physicochemical properties for enhanced catalytic performance and enables the recyclability ability to produce the target product. Thus, our results provide a valuable and practical method by which aromatic N-heterocycles of pharmaceutical relevance can be obtained via catalytic tandem reaction using non-noble based catalysts.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115416"},"PeriodicalIF":5.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144271316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 factors of Au₂₅ cluster as precursor to synthesize Au/Nb2O5 for low-temperature CO oxidation Au₂₅簇的结构因素作为合成Au/Nb2O5用于低温CO氧化的前驱体
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-06-04 DOI: 10.1016/j.cattod.2025.115415
Jiali Hong , Xiaoqian Bai , Xinlin Wang , Hiroya Ishikawa , Toru Murayama , Seiji Yamazoe , Guangli Xiu , Tamao Ishida , Mingyue Lin
{"title":"Structural factors of Au₂₅ cluster as precursor to synthesize Au/Nb2O5 for low-temperature CO oxidation","authors":"Jiali Hong ,&nbsp;Xiaoqian Bai ,&nbsp;Xinlin Wang ,&nbsp;Hiroya Ishikawa ,&nbsp;Toru Murayama ,&nbsp;Seiji Yamazoe ,&nbsp;Guangli Xiu ,&nbsp;Tamao Ishida ,&nbsp;Mingyue Lin","doi":"10.1016/j.cattod.2025.115415","DOIUrl":"10.1016/j.cattod.2025.115415","url":null,"abstract":"<div><div>Gold (Au) catalysts have gained significant attention as effective materials for the low-temperature oxidation of carbon monoxide (CO), with their electronic and geometric structures playing a key role in regulating oxidative properties. A series of Au catalysts were prepared using well-defined Au clusters (Au<sub>25</sub>(SC<sub>12</sub>H<sub>25</sub>)<sub>18</sub>) as precursor, and the effects of structural factors on the CO oxidation activity of these catalysts were investigated, including the size of Au nanoparticles, the ligand removal percentage, and the proportion of Au<sup>δ+</sup>/Au<sup>0</sup>. This work unveiled that the appropriate removal of ligands can improve the catalytic performance for CO oxidation. Moreover, the size of Au nanoparticles is negative correlation with the CO oxidation activity over Au/Nb<sub>2</sub>O<sub>5</sub> catalysts with Au<sub>25</sub>(SC<sub>12</sub>H<sub>25</sub>)<sub>18</sub> as a precursor or on the Au/Nb<sub>2</sub>O<sub>5</sub> catalysts with Au<em><sub>n</sub></em>(SC<sub>12</sub>H<sub>25</sub>)<em><sub>m</sub></em> (<em>m/n</em> = 0.46) as a precursor, but the effect was more pronounced in the Au-based catalysts with precise atomic precursors. The prepared Au/Nb<sub>2</sub>O<sub>5</sub> catalyst that was calcined at 300 °C exhibited excellent CO oxidation activity (<em>T</em><sub>50 %</sub>, the temperature at 50 % CO conversion) at 18 °C due to the small Au nanoparticle size and minimum residue of thiol ligand. We anticipate that this study will stimulate novel perspectives and contribute to the development of highly efficient and stable Au-based catalyst systems.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115415"},"PeriodicalIF":5.2,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144243420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Hydrodeoxygenation of guaiacol and anisole over alumina supported monometallic Ni and Cu catalysts: Studies on the effect of metal sites 愈创木酚和苯甲醚在氧化铝负载的单金属Ni和Cu催化剂上的加氢脱氧:金属位影响的研究
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-06-02 DOI: 10.1016/j.cattod.2025.115404
Snehasis Dutta , Setal AP Govi Nair , Jaroslav Aubrecht , Kateřina Karásková , Dagmar Fridrichová , Kateřina Pacultová , David Kubička
{"title":"Hydrodeoxygenation of guaiacol and anisole over alumina supported monometallic Ni and Cu catalysts: Studies on the effect of metal sites","authors":"Snehasis Dutta ,&nbsp;Setal AP Govi Nair ,&nbsp;Jaroslav Aubrecht ,&nbsp;Kateřina Karásková ,&nbsp;Dagmar Fridrichová ,&nbsp;Kateřina Pacultová ,&nbsp;David Kubička","doi":"10.1016/j.cattod.2025.115404","DOIUrl":"10.1016/j.cattod.2025.115404","url":null,"abstract":"<div><div>Valorization of lignin-derived phenolics by hydrodeoxygenation (HDO) poses two major challenges. The first one is the reduction of oxygen content and the second one is to prevent the loss of C atoms from the feedstock while removing oxygen atoms in, -OCH<sub>3</sub> groups. In this study, Ni/Al<sub>2</sub>O<sub>3</sub> catalysts were found to be efficient for deoxygenation, and Cu/Al<sub>2</sub>O<sub>3</sub> catalysts were used to selectively carry out reactions intended toward preventing C losses. HDO over Ni/Al<sub>2</sub>O<sub>3</sub> catalysts resulted in the hydrogenation of the aromatic ring of guaiacol and anisole, followed by demethoxylation, as the major reaction pathway. The demethoxylation reaction was favored at lower H<sub>2</sub> pressure. However, at lower pressure catalytic deactivation and the nonlinear Arrhenius nature of the aromatic ring hydrogenation limited guaiacol and anisole conversions at higher temperatures. It was found that with the increase in Ni loading the overall conversion was maximum at 10 wt% Ni. Since the demethoxylation reaction occurred only after aromatic ring hydrogenation, its rate showed a similar dependence on both Ni loading and reaction temperature as that of hydrogenation. In this work, (de)methylation reactions of guaiacol and anisole were carried out selectively over Cu/Al<sub>2</sub>O<sub>3</sub> catalysts. Adsorption studies showed that alumina sites were responsible for the reactive adsorption which gave rise to the (de)methylation reactions; and the Cu sites further enhanced these reactions, especially at higher H<sub>2</sub> pressures. We have achieved about 65 % molar conversion of guaiacol selectively towards the formation of catechol, phenol, and methylated catechols/phenols, accompanied by small quantities of toluene and xylenes.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115404"},"PeriodicalIF":5.2,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Ti-zeolite Y based nanocomposites modified with Au and CeO2 with photocatalytic activity in visible light 以Au和CeO2改性钛基Y型分子筛纳米复合材料在可见光下具有光催化活性
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-06-01 DOI: 10.1016/j.cattod.2025.115403
Gabriela Petcu , Elena M. Anghel , Irina Atkinson , Florica Papa , Nicoleta G. Apostol , Adriana Baran , Simona Petrescu , Bogdan Trica , Krasimir Tenchev , Silviya Todorova , Viorica Parvulescu
{"title":"Ti-zeolite Y based nanocomposites modified with Au and CeO2 with photocatalytic activity in visible light","authors":"Gabriela Petcu ,&nbsp;Elena M. Anghel ,&nbsp;Irina Atkinson ,&nbsp;Florica Papa ,&nbsp;Nicoleta G. Apostol ,&nbsp;Adriana Baran ,&nbsp;Simona Petrescu ,&nbsp;Bogdan Trica ,&nbsp;Krasimir Tenchev ,&nbsp;Silviya Todorova ,&nbsp;Viorica Parvulescu","doi":"10.1016/j.cattod.2025.115403","DOIUrl":"10.1016/j.cattod.2025.115403","url":null,"abstract":"<div><div>Two series of photocatalysts (TYAu, TYCeAu) were obtained. Ti was incorporated by direct synthesis with zeolite Y, while Ce and Au were immobilized by double incipient wetness impregnation method. The experimental weight percents (XRF analysis) were for titanium (0.7 %, 1.9 %, 3.5 %), Ce (1 %), and Au (0.3 %, 0.1 %). The typical crystalline structure of zeolite Y was preserved in all samples except those with 3.5 % Ti, where XRD revealed reduced pattern intensity. SEM and TEM analyses showed morphological changes at higher Ti contents. CO₂-TPD confirmed a decrease in basicity with increasing Ti, consistent with the diminished zeolite contribution. XPS analysis indicated the presence of varying Au<sup>0</sup>/Au⁺ and Ce³<sup>+</sup>/Ce<sup>4+</sup> ratios on the surface, depending on the Ti content. The intra- and extraframework TiO<sub>2</sub> as amorphous or anatase phases were Raman confirmed in cerium-containing samples. For materials with high Ti content, the dominant effect was from the Ce and Ti species, accentuated by gold. The surface plasmon resonance effect of Au nanoparticles and decreasing in band gap energy after Ce immobilization was evidenced by UV-Vis spectroscopy. The photocatalytic properties of the synthesized materials were evaluated in CO<sub>2</sub> reduction with water and H<sub>2</sub> production via water splitting under visible light (525 nm). Higher Ti content enhanced CO<sub>2</sub> conversion and reduced CH<sub>4</sub> selectivity, favoring the production of CH<sub>3</sub>OH and CH<sub>2</sub>O. A greater amount of hydrogen was produced by the samples with the lowest Ti concentration while the reaction was favored by the presence of cerium in the rich titanium samples.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115403"},"PeriodicalIF":5.2,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144230841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Further synthetic investigation of YNU-5 zeolite and its application as a solid acid catalyst for the MTO reaction 进一步研究了YNU-5沸石的合成及其作为MTO反应固体酸催化剂的应用
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-05-31 DOI: 10.1016/j.cattod.2025.115402
Kaoru Ito, Riku Takayama, Yuichiro Odate, Shengxiang Zhang, Satoshi Inagaki, Yoshihiro Kubota
{"title":"Further synthetic investigation of YNU-5 zeolite and its application as a solid acid catalyst for the MTO reaction","authors":"Kaoru Ito,&nbsp;Riku Takayama,&nbsp;Yuichiro Odate,&nbsp;Shengxiang Zhang,&nbsp;Satoshi Inagaki,&nbsp;Yoshihiro Kubota","doi":"10.1016/j.cattod.2025.115402","DOIUrl":"10.1016/j.cattod.2025.115402","url":null,"abstract":"<div><div>The synthesis conditions for YNU-5 zeolite were further optimized using dimethyldipropylammonium hydroxide as the organic structure-directing agent (OSDA). The use of <strong>FAU</strong>-type zeolite as the Si and Al source was essential for obtaining a high-quality YNU-5 samples, although the formation of the <strong>YFI</strong> framework was still possible without using the <strong>FAU</strong>-type zeolite. After removing the OSDA, the pure YNU-5 sample (denoted as YNU-5_cal), was converted to its proton form via ammonium ion exchange followed by calcination. YNU-5_cal was then treated with various concentrations of nitric acid under reflux conditions to obtain its dealuminated form with different Si/Al ratios while maintaining framework stability. During the investigation of the dealumination process, distinct dealumination tendencies were observed depending on the type of zeolite framework, specifically <strong>Beta</strong>, <strong>MSE</strong>, <strong>YFI</strong>, and <strong>CHA</strong>. The obtained samples were evaluated as catalysts for the methanol-to-olefin (MTO) reaction. In this reaction, YNU-5 catalysts with Si/Al ratios of 9–100 exhibited rapid deactivation due to heavy coking. In contrast, when the Si/Al ratio was as high as 200, deactivation was significantly suppressed. Notably, the regeneration of the deactivated catalyst was achievable when deactivation resulted from coking. The approximate location of acid sites within the framework was inferred based on dealumination behavior, NMR data, and the catalytic performance in the MTO reaction.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115402"},"PeriodicalIF":5.2,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144230199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Design of 3D printed Mg doped Ni-Co-containing biowaste-derived porous silica as highly-effective catalysts for CO2 methanation 3D打印含Mg掺杂ni -co的生物废物衍生多孔二氧化硅作为二氧化碳甲烷化的高效催化剂的设计
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-05-30 DOI: 10.1016/j.cattod.2025.115405
Grigoria Theochari , Ivalina Trendafilova , Boian Mladenov , Daniela Kovacheva , Daniela Karashanova , Genoveva Atanasova , Violeta Mitova , Margarita Popova
{"title":"Design of 3D printed Mg doped Ni-Co-containing biowaste-derived porous silica as highly-effective catalysts for CO2 methanation","authors":"Grigoria Theochari ,&nbsp;Ivalina Trendafilova ,&nbsp;Boian Mladenov ,&nbsp;Daniela Kovacheva ,&nbsp;Daniela Karashanova ,&nbsp;Genoveva Atanasova ,&nbsp;Violeta Mitova ,&nbsp;Margarita Popova","doi":"10.1016/j.cattod.2025.115405","DOIUrl":"10.1016/j.cattod.2025.115405","url":null,"abstract":"<div><div>Mesoporous silica (MS) derived from rice husk was doped with Mg and additionally modified with Ni and/or Co by incipient wetness impregnation method. 3D printing technology was applied before or after the modification with metal precursors for better performance of the obtained catalysts in a larger scale CO<sub>2</sub> hydrogenation. The initial silica and the modified materials were characterized by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), N<sub>2</sub> physisorption, temperature-programmed reduction (TPR-TGA), and X-ray photoelectron spectroscopy (XPS). The formation of a rock salt (Ni,Mg,Co)O phase and a highly dispersed spinel (Ni,Mg,Co)₃O₄ phase was registered. It was found that optimal Mg doping significantly influences the dispersion of the formed metal oxide species. The peculiarities of the applied mesoporous silica could influence metal dispersion as well. The obtained catalysts are active in CO<sub>2</sub> hydrogenation to methane. The optimal Ni-Co ratio and the moderate-strength basic sites promote high CO<sub>2</sub> conversion and CH₄ selectivity. Among them, powder 5Mg5Ni5Co/MS material was selected for 3D printing based on its high activity and the optimal content of nickel from an economical point of view. The stabilization of Ni dispersion in the 3D-printed samples is beneficial for long-term catalytic performance. The advantage of the 3D printed catalysts was demonstrated showing their higher activity in CO<sub>2</sub> hydrogenation than that of their powder analog, keeping high CO<sub>2</sub> conversion of around 3.8 mol CO<sub>2</sub> g cat <sup>−1</sup> h<sup>−1</sup> in 6 hours reaction time. The favorable catalytic properties of the 3D printed catalysts, their stability and reusability indicate their potential for commercialization.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115405"},"PeriodicalIF":5.2,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144190233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Carbon quantum dot boots the photocatalytic overall hydrogen peroxide production on triazine-based covalent organic framework 碳量子点在三嗪基共价有机骨架上启动光催化整体过氧化氢生产
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-05-30 DOI: 10.1016/j.cattod.2025.115399
Wenhui Wang , Kai Huang , Bin Shao , Shuaishuai Shang , Zhonghao Jia , Xiaoying Zhao , Jun Hu
{"title":"Carbon quantum dot boots the photocatalytic overall hydrogen peroxide production on triazine-based covalent organic framework","authors":"Wenhui Wang ,&nbsp;Kai Huang ,&nbsp;Bin Shao ,&nbsp;Shuaishuai Shang ,&nbsp;Zhonghao Jia ,&nbsp;Xiaoying Zhao ,&nbsp;Jun Hu","doi":"10.1016/j.cattod.2025.115399","DOIUrl":"10.1016/j.cattod.2025.115399","url":null,"abstract":"<div><div>Photocatalytic overall H<sub>2</sub>O<sub>2</sub> production shows significances in green manufactory through converting solar energy into valuable chemicals under nature H<sub>2</sub>O and O<sub>2</sub>. Covalent organic frameworks (COFs) hold promises in photocatalysis but still face challenges in bandgap regulation for dual-pathway of simultaneous two-electron oxygen reduction (2e⁻ ORR) and water oxidation (2e⁻ WOR). Here, we report an S-scheme heterojunction catalyst (CQDs@COF) constructed by integrating carbon quantum dots (CQDs) into triazine-ureidoimine-based TP-COF. The CQDs enhance visible-light absorption, narrow the bandgap, and improve hydrophilicity/O<sub>2</sub> affinity, synergistically boosting H<sub>2</sub>O<sub>2</sub> generation. DFT calculations and controlled experiments elucidated the electron transfer pathway from CQDs to TP-COF via the S-scheme heterojunction, enabling a successful overall H<sub>2</sub>O<sub>2</sub> production. Remarkably, [email protected] achieved an exceptional H<sub>2</sub>O<sub>2</sub> yield of 1062 μmol g⁻¹ within 60 min under ambient conditions using pure water without any sacrificial agents. This work offers a novel strategy to enhance charge separation/migration in COFs for efficient photocatalysis, advancing the rational design of high-performance photocatalytic systems.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115399"},"PeriodicalIF":5.2,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
How do cyclic functional groups in the Cl-iron 3,5-diisopentoxyphenyl porphyrin complex influence the oxygen reduction reaction? cl -铁3,5-二异氧苯卟啉配合物中的环官能团如何影响氧还原反应?
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-05-30 DOI: 10.1016/j.cattod.2025.115401
Phan Thi Hong Hoa , Viorel Chihaia , Do Ngoc Son
{"title":"How do cyclic functional groups in the Cl-iron 3,5-diisopentoxyphenyl porphyrin complex influence the oxygen reduction reaction?","authors":"Phan Thi Hong Hoa ,&nbsp;Viorel Chihaia ,&nbsp;Do Ngoc Son","doi":"10.1016/j.cattod.2025.115401","DOIUrl":"10.1016/j.cattod.2025.115401","url":null,"abstract":"<div><div>To improve the efficiency of proton exchange membrane fuel cells and air batteries, one must solve the slow kinetics of the oxygen reduction reaction (ORR) on the cathode by using catalysts, which satisfy low-cost, high durability, and environmental friendliness. Recently, nitrogen and iron-based macrocycles such as iron porphyrins have attracted much attention. Although experiments have investigated the ORR activity of the Cl-iron 3,5-diisopentoxyphenyl porphyrin macromolecules (ClFeM), the effects of adding cyclic functional groups such as hydroxyphenyl, carboxylphenyl, aminophenyl, thiophenyl, and pyridyl to ClFeM on the ORR mechanisms and activity remain unknown. Here, we explored this issue using the van der Waals-corrected density functional theory calculations. The research will answer three questions: (1) How do the cyclic functional groups modify the ORR mechanisms and activity? (2) How do the cyclic functional groups affect the stability of the catalysts via studying dissolution potentials? And what is the role of the Cl atom in the stability of the ClFeM-based catalysts? Furthermore, we also elucidated the physical insights into the interaction of the intermediates with the ClFeM-based complexes.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115401"},"PeriodicalIF":5.2,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Efficient CeO2 decoration of Fischer-Tropsch catalysts through atomic layer deposition 原子层沉积法对费托催化剂的高效CeO2修饰
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-05-29 DOI: 10.1016/j.cattod.2025.115400
Andrés A. García Blanco , M. Amine Lwazzani , Martí Biset-Peiró , Jordi Guilera
{"title":"Efficient CeO2 decoration of Fischer-Tropsch catalysts through atomic layer deposition","authors":"Andrés A. García Blanco ,&nbsp;M. Amine Lwazzani ,&nbsp;Martí Biset-Peiró ,&nbsp;Jordi Guilera","doi":"10.1016/j.cattod.2025.115400","DOIUrl":"10.1016/j.cattod.2025.115400","url":null,"abstract":"<div><div>The development of efficient catalysts for the Fischer–Tropsch synthesis (FTS) was investigated using atomic layer deposition (ALD) for the controlled promotion of Co/γ-Al<sub>2</sub>O<sub>3</sub> catalysts with CeO<sub>2</sub>. The deposition of ultra-low Ce loadings (&lt;0.05 wt%) via ALD led to the formation of new active surface sites, as evidenced by DRIFTS-CO studies, and significantly modified the catalytic performance under FTS conditions (10 bar, 230 °C). Catalysts decorated with CeO<sub>2</sub> via ALD exhibited enhanced activity and altered hydrocarbon selectivity compared to unpromoted Co/γ-Al<sub>2</sub>O<sub>3</sub>. The sequence of CeO<sub>2</sub> incorporation using ALD proved to be decisive for catalysts performance. When CeO<sub>2</sub> was deposited on previously impregnated Co/γ-Al<sub>2</sub>O<sub>3</sub>, the catalysts showed improved selectivity toward C<sub>5+</sub> hydrocarbons. In contrast, materials where cobalt was impregnated onto CeO<sub>2</sub>-predecorated supports exhibited higher activity but experienced deactivation and a shift in product distribution toward light gases (C<sub>1</sub>-C<sub>4</sub>) and gasoline-range hydrocarbons. These results highlight the potential of ALD as a precise and effective approach to optimize promoter effects of oxides in Co-based FTS catalysts.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"459 ","pages":"Article 115400"},"PeriodicalIF":5.2,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144243421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Boron nitride supported copper single atom catalyst for nitrate reduction reaction 硝酸还原反应用氮化硼负载铜单原子催化剂
IF 5.2 2区 化学
Catalysis Today Pub Date : 2025-05-28 DOI: 10.1016/j.cattod.2025.115381
Siming Huo , Kyung-Won Jeon , Lingzhe Fang , Ruben Arjan Kjell de Graaf , Briana I. Espinosa , Parker T. Santo Domingo , Hong Piao , Tao Li , Xianqin Wang
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