Catalysis Letters最新文献

{"title":"Influence of HCl in Photo-catalyzed Oxidation of Cyclohexane with Decatungstate or PMo12-nVn","authors":"Wenfeng Wu,&nbsp;Xiaofang Liu,&nbsp;Lei Zha,&nbsp;Xiangyu Xie,&nbsp;Anqun Su,&nbsp;Chuanwu Xiong,&nbsp;Weiye Yang,&nbsp;Lin Yu,&nbsp;Xiao Zhou,&nbsp;Yicheng Ding","doi":"10.1007/s10562-024-04797-6","DOIUrl":"10.1007/s10562-024-04797-6","url":null,"abstract":"<div><p>Decatungstate ((nBu₄N)₄W₁₀O₃₂, marked as DTs) and PMo_12-nV_n could be easily synthesized via polymerization in acidic aqueous solution. They can efficiently catalyze the oxidation of cyclohexane to afford cyclohexanone and cyclohexanol under visible light, affording about 30% conversion in the presence of additive HCl. This is the first example to show the influence of HCl on oxidizing capacity for DTs and PMo_12-nV_n. It was found that PMo_12-nV_n could induce the generation of chlorine radical in the presence of HCl, playing a significant role to realize the oxidation of cyclohexane.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6307 - 6314"},"PeriodicalIF":2.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction to: Insight into the Interaction of PerovskiteLike Surfaces (LaMnO3 and LaCoO3) with Ar, H2, CO, and O2 through NAPXPS Analysis","authors":"Juan Tapia-P.,&nbsp;Jaime Gallego,&nbsp;Oscar Gamba,&nbsp;Juan F. Espinal","doi":"10.1007/s10562-024-04832-6","DOIUrl":"10.1007/s10562-024-04832-6","url":null,"abstract":"","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 11","pages":"6143 - 6143"},"PeriodicalIF":2.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10562-024-04832-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142453005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Deactivation Mechanism of Potassium on the γ-Fe2O3 Catalysts for SCR Reaction: A DFT Study","authors":"Jin-Qin Zhong,&nbsp;Zi-Peng Li,&nbsp;Dong-Dong Ren,&nbsp;Jian-Xiang Guo,&nbsp;Ji-Jin Wang,&nbsp;Lin-Yang Zhang,&nbsp;Na Liu","doi":"10.1007/s10562-024-04825-5","DOIUrl":"10.1007/s10562-024-04825-5","url":null,"abstract":"<div><p>The presence of alkali metals in flue gas can lead to catalyst poisoning, which can significantly impact the de-NOx efficiency of the catalyst. There is a lack of specific studies on the influence of potassium (K) poisoning on the efficiency of γ-Fe₂O₃. In this study, the mechanism of K poisoning on the γ-Fe₂O₃ surface was studied based on DFT, and the influence of K on molecular adsorption and SCR reaction process was analyzed. The results show that the K₂O and KCl provide O, K, and Cl ions when deposited on the catalyst surface. The adsorption and dehydrogenation processes of NH3 were enhanced to varying degrees near the O and Cl iron sites, but the subsequent generation and decomposition of NH₂NO were inhibited. On the sites near K cations, the adsorption, dehydrogenation, and subsequent SCR reaction processes of NH₃ are hindered, and the adverse effects on the reaction are greater on the Fe sites closer to K. As well as the presence of K can to some extent promote the adsorption of NO and O₂.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6524 - 6537"},"PeriodicalIF":2.3,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519081","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and Application of WELAN to Pd(OAc)2-Catalyzed Suzuki–Miyaura Cross-Coupling Reaction","authors":"Bishwajit Saikia","doi":"10.1007/s10562-024-04815-7","DOIUrl":"10.1007/s10562-024-04815-7","url":null,"abstract":"<div><p>An extremely efficient green protocol for palladium acetate-catalysed ligand-free Suzuki–Miyaura cross-coupling reactions of aryl/heteroaryl bromides with aryl/substitute aryl boronic acids in neat ‘Water Extract of Leaf Ash of Neem’ (WELAN)’ was developed. This method offers a simple, mild, efficient and highly cost-effective alternative to the existing protocols since the reaction proceeds in natural feedstock WELAN at room temperature in air at very short reaction times (5–60 min) under ligand/external base/promoter/organic medium free conditions. Here WELAN has been found to be the effective base and reaction medium for this cross-coupling reaction with high turnover number (TON). This manuscript also theoretically depicts the probable mechanism of WELAN catalysed cross-coupling reaction.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6562 - 6567"},"PeriodicalIF":2.3,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of M-Doping and Oxygen Vacancy on the Electronic and Photocatalytic Water-Splitting Properties of α-BiNbO4 (M = Mo, W)","authors":"Hong Wang,&nbsp;Yunfei Ma,&nbsp;Chongyang Zhao,&nbsp;JinKun Bai,&nbsp;Kangrong Lai","doi":"10.1007/s10562-024-04823-7","DOIUrl":"10.1007/s10562-024-04823-7","url":null,"abstract":"<div><p>Based on the first-principles density-functional theory, formation energies, transition energy levels of M (M = Mo, W) doped α-BiNbO₄ systems are studied. The calculation results show that the donor defects form easily under Bi-rich condition. Of these, the W_int (W interstitial) and Mo_int (Mo interstitial) are the two main defects that lead to n-type conductivity. Then, the electronic structures of M-mono-doped and M/O_vac (O vacancy)-codoped α-BiNbO₄ were investigated. Our results show that the band gap of W_int/O_vac-codoped α-BiNbO₄ is reduced by 0.43 eV, and the conduction band minimum and valence band maximum are reduced by 0.20 and 0.23 eV, respectively, compared to pure α-BiNbO₄, with less driving force required for the redox reaction process and then an increased redox rate. The α-BiNbO₄ with W_int+O_vac defects with n-type conductivity has good photocatalytic activity in water splitting.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6217 - 6226"},"PeriodicalIF":2.3,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of Biogenic Gd2ZnMnO6 Nanofibrous for Creation of 3-Aryl-2-oxazolidinones from Alkenes, Carbon Dioxide, and Amines","authors":"Shulong Liu,&nbsp;Xuechen Huang,&nbsp;Jinfeng Zhang","doi":"10.1007/s10562-024-04795-8","DOIUrl":"10.1007/s10562-024-04795-8","url":null,"abstract":"<div><p>In this research, microorganisms were used to produce Gd₂ZnMnO₆ NFs in a biological process instead of a chemical method as a nanocatalyst. Considering the capability of the microorganisms to synthesize nanofibrous (NFs) upon exposure to metal ions, microorganisms were employed to produce Gd₂ZnMnO₆ NFs through a biological process. The utilization of chemical modification to fabricate environmentally friendly heterogeneous nanocatalysts has proven to be highly appealing in the context of synthesizing 3-aryl-2-oxazolidinones using alkenes, carbon dioxide, and amines in an aqueous solution. The role of diverse variables in the creation of 3-aryl-2-oxazolidinones has been thoroughly investigated. Notably, Gd₂ZnMnO₆ NFs demonstrates remarkable efficiency in the production of 3-aryl-2-oxazolidinones due to its unique morphology. The morphology of Gd₂ZnMnO₆ NFs contributed to the creation of a desirable outer layer for the creation of 3-aryl-2-oxazolidinones. The findings demonstrated that the utilization of Gd₂ZnMnO₆ nanofibers positively impacts the effectiveness of the creation of 3-aryl-2-oxazolidinones. This can be attributed to the nanofibers' impressive mechanical and ionic internal characteristics, as well as their exceptional thermal sustainability and persistent colloidal sturdiness. Consequently, employing the host–guest method, the system could be regarded as an exemplary nanocatalyst. A diverse array of olefins was successfully transformed into desirable products, independent of the electronic nature of the substitutes. The involvement of heterogeneous mixtures did not impede the progression of the reaction. Moreover, the 3-aryl-2-oxazolidinones were easily distinguished from the Gd₂ZnMnO₆ nanofibers, and the medium exhibited the ability to undergo multiple cycles of usage without experiencing a notable decline in their catalytic activity and selectivity. This approach offers notable advantages, including a strong economic capability and the potential to withstand functional groups.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div><p>Synthesis of biogenic Gd2ZnMnO6 nanofibrous for creation of 3-Aryl-2-oxazolidinones from alkenes, carbon dioxide, and aminesSynthesis of biogenic Gd2ZnMnO6 nanofibrous for creation of 3-Aryl-2-oxazolidinones from alkenes, carbon dioxide, and amines</p></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 11","pages":"6180 - 6193"},"PeriodicalIF":2.3,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Photocatalytic Performance of JANUS SXSiN2 (X = Cr, Mo, W) Monolayers with Enhanced Carrier Migration","authors":"Wei Cai,&nbsp;Yuhua Chi,&nbsp;Mengxin Ji,&nbsp;Qian Zhang,&nbsp;Hao Ren,&nbsp;Houyu Zhu,&nbsp;Wen Zhao,&nbsp;Wenyue Guo","doi":"10.1007/s10562-024-04818-4","DOIUrl":"10.1007/s10562-024-04818-4","url":null,"abstract":"<div><p>Efficient catalysts for separating electron–hole pairs are crucial for improving the quantum yield and activity of photocatalysts. This study systematically investigates the properties and performance of monolayers of Janus SXSiN₂ (X = Cr, Mo, W) using the first-principles computational methods. The research findings suggest that biaxial strain can induce an indirect-to-direct bandgap transition in Janus SXSiN₂ and can also modulate the bandgap and band edge positions. Surface vacancy defects play a critical role in enhancing the charge carrier separation ability of Janus SXSiN₂, leading to remarkable photocatalytic performance. Moreover, the synergistic effect of biaxial strain and vacancy defects can significantly improve the catalytic performance for the HER. This study provides a theoretical foundation for further development of efficient two-dimensional Janus photocatalysts.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div><div><p>Biaxial strain can modulate the bandgap and band edge positions. Surface vacancy defects play a critical role in enhancing the charge carrier separation ability. Janus SXSiN2 exhibits excellent photocatalytic performance for the HER reaction due to the synergistic effects of strain and vacancy defects.</p></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6195 - 6205"},"PeriodicalIF":2.3,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In Silico Models for Prediction of Methanol Yield in CO2 Hydrogenation Reaction Using Cu-Based Catalysts","authors":"Vanjari Pallavi,&nbsp;Reddi Kamesh,&nbsp;K. Yamuna Rani","doi":"10.1007/s10562-024-04800-0","DOIUrl":"10.1007/s10562-024-04800-0","url":null,"abstract":"<p>CO₂ hydrogenation to methanol is instrumental in mitigating carbon emissions and providing a renewable source of clean fuel, methanol. Though Cu-based catalysts proved to be economical and efficient catalysts for this reaction, it has the disadvantage of low catalyst efficiency and sintering. In this study, we developed different six machine learning (ML) models for the prediction of methanol yield (%) from CO₂ hydrogenation for Cu-based catalysts. The gradient boost random trees model outperformed other ML models with accuracy R² and RMSE of 0.96, 0.71 on train data and 0.75, 1.75 on test data. Pressure, metal:support ratio, active metal composition, GHSV and reaction temperature were found to be influential parameters for optimization of methanol yield. The prediction capability of this model is also validated based on unseen experimental data with varied input parameters and the predictions are good enough with R² and RMSE of 0.9 and 1.14. Therefore, this model can be regarded as a valuable solution to guide experimental design without actual experimentation for Cu-based catalysts.</p>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6413 - 6424"},"PeriodicalIF":2.3,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518386","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modification of Pt/SiO2 with Mg(OH)2 Improves Xylose to Xylulose Isomerization","authors":"Wenxuan Li,&nbsp;Ming Chen,&nbsp;Yuanbo Song,&nbsp;Mengyu Jin,&nbsp;Dongsu Bi,&nbsp;Yalei Zhang,&nbsp;Zheng Shen","doi":"10.1007/s10562-024-04824-6","DOIUrl":"10.1007/s10562-024-04824-6","url":null,"abstract":"<div><p>Sugar compounds are an important part of biomass resources, and their catalytic conversion can prepare a series of platform compounds, such as lactic acid and polyols. One of the key steps is the isomerization of aldoses to ketoses. However, finding a simple method to efficiently convert aldoses to ketoses remains a great challenge. Herein, we report a core–shell structured catalyst, Pt/SiO₂@Mg(OH)₂, for the efficient conversion of xylose as well as the further conversion of xylose to xylulose. Xylose, a five-carbon sugar unit with the highest content in biomass, was used as the object of study to determine the optimal reaction conditions in the aqueous system by adjusting the loading amount of Mg(OH)₂, catalyst addition, reaction temperature, and reaction time: In the optimum aqueous conditions, the yield of xylulose was 23.61%. We also investigated the effect of solvent effects on the hydrothermal reaction and determined the optimal solvent ratio, the yield of xylulose reached 31.74% at H₂O:MeOH (8:2). We anticipate that this research result can provide a theoretical basis and reference for the industrialized production of subsequent sugar isomerization.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6538 - 6550"},"PeriodicalIF":2.3,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142254120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CO-Free Fuel Processing of Water Gas Shift Feedstocks: Effect of Support on CuMn Spinel Performance","authors":"Venkata D. B. C. Dasireddy,&nbsp;Balaga Viswanadham,&nbsp;Blaz Likozar,&nbsp;Jignesh Valand","doi":"10.1007/s10562-024-04826-4","DOIUrl":"10.1007/s10562-024-04826-4","url":null,"abstract":"<div><p>Cleaning up carbon monoxide (CO) in water gas shift feedstocks is crucial for fuel cell applications. The catalytic transformation of CO in hydrogen-rich feeds poses a significant challenge in environmental catalysis. To address this issue, a range of Cu–Mn-based monometallic and bimetallic catalysts with diverse supports (such as alumina, silica, zirconia, and titania) were employed. Temperature programming techniques were utilised to observe the reduction and oxidation behaviours of these catalysts. The investigation involved testing CO oxidation at various temperatures over copper and manganese-based supported catalysts in the presence of H₂O and CO₂ (simulating realistic conditions). A positive impact of H₂O on catalytic performance was noted, whereas CO₂ had a suppressive effect. Furthermore, the specific support materials (Al₂O₃, SiO₂, TiO₂, and ZrO₂) were studied to understand their roles in CO oxidation under realistic conditions. In the presence of water, alumina catalysts containing bimetallic metals (Cu–Mn) exhibited 100% CO conversion even at a lower temperature of 160 °C. Conversely, under the predominant influence of CO₂, alumina catalyst (Cu–Mn) showed 55% CO conversion. The exceptional performance was attributed to CO preferential adsorption on highly active Cu–Mn sites and a small H₂-oxidative atmosphere of the catalysts. The activity results highlighted the strong dependence of CO conversion on reaction temperatures, the presence of metals, and the types of supports. Overall, these findings suggest the potential use of these catalysts for H₂ purification under realistic conditions.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":"154 12","pages":"6378 - 6388"},"PeriodicalIF":2.3,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10562-024-04826-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142254122","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}