Molecular Catalysis最新文献_第4页

Preparation of 30%PMoV2@MOF@mSiO2 (MOF = MIL-101, HKUST-1, UiO-67, ZIF-8) catalysts and their oxidative desulfurization performance 30%PMoV2@MOF@mSiO2 （MOF = MIL-101、HKUST-1、UiO-67、ZIF-8）催化剂的制备及其氧化脱硫性能

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-21 DOI: 10.1016/j.mcat.2024.114613

Pushuang Xing , Cong Li , Yixin Chen, Rong-Lan Zhang

{"title":"Preparation of 30%PMoV2@MOF@mSiO2 (MOF = MIL-101, HKUST-1, UiO-67, ZIF-8) catalysts and their oxidative desulfurization performance","authors":"Pushuang Xing , Cong Li , Yixin Chen, Rong-Lan Zhang","doi":"10.1016/j.mcat.2024.114613","DOIUrl":"10.1016/j.mcat.2024.114613","url":null,"abstract":"<div><div>PMoV2 was encapsulated in four MOFs (MIL-101, HKUST-1, UiO-67, ZIF-8) with different cavity sizes and window sizes using a hydrothermal synthesis method. Then, a layer of mesoporous silica was coated on the surface of the MOFs to obtain four designed three-layer encapsulated catalysts 30%PMoV2@MOF@mSiO2. The physicochemical properties of the catalysts were characterized through various characterization methods, and the influence of different MOF window sizes of the four catalysts on the removal rate of four thiophene sulfides was investigated. The optimal reaction conditions were also explored for the optimal catalyst. The results indicate that under simulated fuel of 2400 ppm, 30%PMoV2@UiO-67@mSiO2 owns the highest catalytic activity. Under optimal conditions, the total removal rate of four thiophene compounds was 91.52 %, and after ten cycles, the efficiency could still reach 86.24 %. This is attributed to the sufficient cavity size of UiO-67, which provides assurance for the loading of PMoV2 and the large window size, making it possible for the smooth reaction between sulfides and PMoV2.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"569 ","pages":"Article 114613"},"PeriodicalIF":3.9,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554861","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 dot-based type I photosensitizers for photocatalytic oxidation reaction of arylboric acid and N-phenyl tetrahydroisoquinoline 用于芳基硼酸和 N-苯基四氢异喹啉光催化氧化反应的 I 型碳点光敏剂

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-21 DOI: 10.1016/j.mcat.2024.114625

Zhong-Lin Guo , Kai-kai Niu , Yu-Guang Lv , Ling-Bao Xing

{"title":"Carbon dot-based type I photosensitizers for photocatalytic oxidation reaction of arylboric acid and N-phenyl tetrahydroisoquinoline","authors":"Zhong-Lin Guo , Kai-kai Niu , Yu-Guang Lv , Ling-Bao Xing","doi":"10.1016/j.mcat.2024.114625","DOIUrl":"10.1016/j.mcat.2024.114625","url":null,"abstract":"<div><div>Carbon dots (CDs) have emerged as promising materials for photocatalytic organic transformations due to their excellent photostability, tunable electronic properties, and environmental friendliness; However, the ability of CDs to selectively generate reactive oxygen species (ROS) and its integration with organic photocatalytic synthesis applications has always been a long-term challenge. In this work, we synthesized a new nitrogen and phosphorus co-doped carbon dots (N,P-CDs) with enhanced light absorption and notable efficiency in generating superoxide anion (O2•−) selectively. Leveraging the selective generation of superoxide anions, we achieved highly efficient photooxidation of boronic acids and N-phenyl tetrahydroisoquinolines, demonstrating the practical applicability of N,P-CDs as photocatalysts and represents good functional-group tolerance as well as a broad substrate scope. This study provides valuable insights into the design of carbon-based photocatalysts with controlled ROS generation, opening new avenues for environmentally benign organic transformations.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"569 ","pages":"Article 114625"},"PeriodicalIF":3.9,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554860","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 catalysis for the Baeyer-Villiger oxidation reaction of 2-adamantone in acidic deep eutectic solvents 在酸性深共晶溶剂中高效催化 2-金刚烷酮的拜尔-维里格氧化反应

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-19 DOI: 10.1016/j.mcat.2024.114629

Guiyi Zhao, Weiguang Wang, Kaixuan Yang, Ting Su, Zhiguo Zhu, Hongying Lü

引用次数: 0

Upgrading the performance of syngas to ethanol via Mn modified Rh-based catalyst 通过锰改性铑基催化剂提升合成气制乙醇的性能

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-19 DOI: 10.1016/j.mcat.2024.114621

Maosheng Yang , Yang Feng , Jungang Wang , Zhongyi Ma , Congbiao Chen , Wei Zhang , Shupeng Guo , Hongjuan Xi , Zhancheng Ma , Bo Hou

{"title":"Upgrading the performance of syngas to ethanol via Mn modified Rh-based catalyst","authors":"Maosheng Yang , Yang Feng , Jungang Wang , Zhongyi Ma , Congbiao Chen , Wei Zhang , Shupeng Guo , Hongjuan Xi , Zhancheng Ma , Bo Hou","doi":"10.1016/j.mcat.2024.114621","DOIUrl":"10.1016/j.mcat.2024.114621","url":null,"abstract":"<div><div>Significant strides have been undertaken to catalyze the production of ethanol from syngas, yet the challenge remains in developing catalysts that simultaneously exhibit high activity and selectivity. In this study, we designed a high-performance Rh-Mn catalyst. The CO conversion of finally screened 1Rh1Mn/TiO2 catalyst is 51.8 %, and the total alcohol selectivity and ethanol yield are 72.1 % and 24.1 % respectively. This is the highest ethanol yield reported to date for Rh-based catalysts. Additionally, this catalyst also kept good stability. The outstanding performance is attributed to the fact that Mn facilitates the formation of Rh+ active sites, the process of CO insertion, and the generation of CH3CHO and CH3CO species—critical intermediates in ethanol production. In contrast, the unpromoted 1Rh/TiO2 catalyst showed poor ethanol selectivity and mainly produced the Rh0 species, whereas the 1Rh1Mn/TiO2 catalyst with the addition of Mn showed an increase in total alcohol and ethanol selectivity of 26.5 % and 31.3 %, respectively, as well as a reduction in CO2 of 50.4 %. In addition, we elucidated the CO2 generation and conversion pathways in the syngas to ethanol process, which is important for the effective utilization of carbon resources.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"569 ","pages":"Article 114621"},"PeriodicalIF":3.9,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554858","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

ZrO2 modified sulfonated charcoal-based catalysts for hydrolysis of biomass sugars and agricultural residues 用于水解生物质糖和农业残留物的 ZrO2 改性磺化木炭基催化剂

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-18 DOI: 10.1016/j.mcat.2024.114622

Chenlin Wei , Weitao Wang , Huan Wang , Jiaqi Zhu , Zhen-Hong He , Yangmin Ma , Nianwen Guo , Zhao-Tie Liu

引用次数: 0

Computational screening of Group VⅢ@C5N4 single-atom electrocatalysts for overall water splitting 计算筛选用于整体水分离的 VⅢ@C5N4 族单原子电催化剂

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-18 DOI: 10.1016/j.mcat.2024.114619

Cuimei Li , Dong Cao , Dandan Guo , Chun-Ran Chang

{"title":"Computational screening of Group VⅢ@C5N4 single-atom electrocatalysts for overall water splitting","authors":"Cuimei Li , Dong Cao , Dandan Guo , Chun-Ran Chang","doi":"10.1016/j.mcat.2024.114619","DOIUrl":"10.1016/j.mcat.2024.114619","url":null,"abstract":"<div><div>Single-atom catalysts (SACs) have great potential for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) since their high atomic utilization and strong metal–support interactions. Herein, we develop TM@C5N4 (TM = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir and Pt) catalysts via embedding Group VⅢ TM in holey C5N4 substrate and further evaluate their electrocatalytic activity using density functional theory (DFT) calculations. Systematical studies indicate that Fe@C5N4, Pd@C5N4 and Ir@C5N4 catalysts all exhibit excellent HER performance, which mainly because of their small ΔGH* values of 0.101 eV, -0.114 eV and 0.070 eV, respectively. In parallel, Rh@C5N4 and Ir@C5N4 possess high OER activity along with low overpotential of 0.50 V, which is superior to the commercial IrO2 catalyst (0.56 V). Obviously, Ir@C5N4 could be utilized as bifunctional electrocatalysts both HER and OER in water splitting. Furthermore, we analyze their correlative catalytic mechanisms using the molecular orbitals. Besides, biaxial strain modulation could effectively regulate the catalytic activity of HER and OER. Particularly, 2 % biaxial tensile strain could bring Ir@C5N4 superb HER/OER catalytic performance. Finally, we anticipate that this strain engineering would provide a new perspective for developing high-performance SACs for water splitting.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"569 ","pages":"Article 114619"},"PeriodicalIF":3.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554856","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

Insight into SO2 poisoning mechanism of MnOx-CeO2/Ti-bearing blast furnace slag catalyst for low temperature NH3-SCR reaction 低温 NH3-SCR 反应中 MnOx-CeO2/Ti 轴高炉矿渣催化剂的 SO2 中毒机理探析

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-18 DOI: 10.1016/j.mcat.2024.114609

Ming Kong , Heping Liao , Linjiang Song , Shengchao Zhang , Yunchuan Wang , Wei Feng , Zhifang Liu , Xianling Deng , Lu Yao , Handan Zhang

{"title":"Insight into SO2 poisoning mechanism of MnOx-CeO2/Ti-bearing blast furnace slag catalyst for low temperature NH3-SCR reaction","authors":"Ming Kong , Heping Liao , Linjiang Song , Shengchao Zhang , Yunchuan Wang , Wei Feng , Zhifang Liu , Xianling Deng , Lu Yao , Handan Zhang","doi":"10.1016/j.mcat.2024.114609","DOIUrl":"10.1016/j.mcat.2024.114609","url":null,"abstract":"<div><div>Sulfur poisoning is an intractable challenge for NH3-SCR catalyst. In this issue, the immanent reasons for MnOx-CeO2/Ti-bearing blast furnace slag catalyst deactivation resulting from SO2 were elaborated by catalytic activity evaluation, BET, XRD, XPS, NH3-TPD, H2-TPR and in-situ DRIFTS analysis. Results showed that MnOx-CeO2/Ti-bearing blast furnace slag catalyst followed E-R reaction mechanism and performed 100 % NO conversion at 175 °C, whereas its sulfur resistance was unsatisfactory and the deactivation degree became more severe with SO2 concentration increasing. SO2 reacted with NH3 to generate (NH4)2SO4 and NH4HSO4 deposits, blocking catalyst pores and covering active sites. SO2 also interacted with MnOx-CeO2 active components to form MnSO4 and Ce2(SO4)3, which restricted the electron transfers of Mn4+/Mnn+ and Ce3+/Ce4+. Besides, the newly formed sulfur-containing acidic sites also competed with the original active sites for NH3 adsorption, thereby hindering the SCR reaction. Physical purging could not realize regeneration of SO2-poisoning catalyst, but hyperthermic treatment was an efficient solution.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"569 ","pages":"Article 114609"},"PeriodicalIF":3.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554857","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

Use of red-mud (MRM) in industrial catalysis: Selective conversion of biomass derived furfural to furfuryl alcohol using Ni-MRM – preparation, characterization and activity studies – elucidating mechanism of hydrogenation using DFT 在工业催化中使用红泥（MRM）：利用 Ni-MRM 将生物质衍生的糠醛选择性转化为糠醇--制备、表征和活性研究--利用 DFT 阐明氢化机理

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-18 DOI: 10.1016/j.mcat.2024.114617

Subhashree Mishra , Neha Kamal , Arup Kumar De , Indrajit Sinha , Amulya Prasad Panda , R.K. Dey , Rajaram Bal

{"title":"Use of red-mud (MRM) in industrial catalysis: Selective conversion of biomass derived furfural to furfuryl alcohol using Ni-MRM – preparation, characterization and activity studies – elucidating mechanism of hydrogenation using DFT","authors":"Subhashree Mishra , Neha Kamal , Arup Kumar De , Indrajit Sinha , Amulya Prasad Panda , R.K. Dey , Rajaram Bal","doi":"10.1016/j.mcat.2024.114617","DOIUrl":"10.1016/j.mcat.2024.114617","url":null,"abstract":"<div><div>Conversion of furfural (FFL) to furfuryl alcohol (FOL) using nickel loaded modified red mud (Ni-MRM) was developed with an aim to eliminate toxic Cu-Cr catalyst or precious metal catalyst currently used industrially. Ni-MRM was characterized using various advanced instruments such as XRD, TEM, TPR, BET and XPS. Thermal stability of the material was computed using Kissinger-Akahira-Sonuse (KAS) model. Ni-MRM catalytic activity was studied with variation of parameters. A 15 % Ni-loading on MRM (Ni(15 %)-MRM) shows significant product selectivity (>90 %) in optimized reaction conditions. Density functional theory (DFT) was used for calculation of adsorption energy, charge of the metal at the material active sites. The theoretical calculation shows that H2 molecule adsorbed upon electron rich Ni surface facilitate bond cleavage to initiate the reaction with adsorbed furfural molecule. Ni-MRM could be reused without significant loss of material catalytic activity for production of furfuryl alcohol. The work also shows effective utilization of properties of red mud for selective transformation of furfural, a bio-renewable material, to value added products.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"569 ","pages":"Article 114617"},"PeriodicalIF":3.9,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554800","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

Enhanced Lewis acidity on modified H-ZSM-5 catalysed 5-hydroxymethylfurfural oxidation in aqueous solvent 改性 H-ZSM-5 在水性溶剂中催化 5- 羟甲基糠醛氧化时增强的路易斯酸性

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-17 DOI: 10.1016/j.mcat.2024.114610

Rahul Gautam, Neeraj Sharma, Kanika Saini, Shunmugavel Saravanamurugan

引用次数: 0

Co-N-C catalyst with single atom active sites for base-free aerobic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid under mild conditions 具有单原子活性位点的 Co-N-C 催化剂，用于在温和条件下将 5-羟甲基糠醛无碱有氧氧化为 2,5-呋喃二甲酸

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-10-17 DOI: 10.1016/j.mcat.2024.114616

Sohaib Hameed , Xiaoli Pan , Weixiang Guan , Aiqin Wang

引用次数: 0