Molecular Catalysis最新文献_第2页

Self-aldol condensation of acetaldehyde to crotonaldehyde over Lewis acidic metal-incorporated *BEA zeolites 乙醛在路易斯酸性金属掺杂 *BEA 沸石上自醛缩合为巴豆醛

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-11 DOI: 10.1016/j.mcat.2024.114666

Hanwen Gu , Guochao Yang , Lingtao Wang , Haoxi Jiang

{"title":"Self-aldol condensation of acetaldehyde to crotonaldehyde over Lewis acidic metal-incorporated *BEA zeolites","authors":"Hanwen Gu , Guochao Yang , Lingtao Wang , Haoxi Jiang","doi":"10.1016/j.mcat.2024.114666","DOIUrl":"10.1016/j.mcat.2024.114666","url":null,"abstract":"<div><div>Metal-incorporated *BEA zeolites have shown remarkable catalytic performance in the self-aldol condensation of various aldehydes. The substitution of heteroatom sites can modulate the self-aldol condensation performance of aldehydes, while the underlying mechanisms have been insufficiently explored, with even less attention given to acetaldehyde-related processes. Herein, seven transition metal-incorporated *BEA zeolites were post-synthesized and applied in the self-aldol condensation of acetaldehyde. All the M-BEA zeolites exhibited excellent crotonaldehyde selectivity, exceeding 80 % and most surpassing 85 %, with various acetaldehyde conversions. SEM, XRD, N2 physisorption, FT-IR, UV–Vis, XPS, Py-IR, and NH3-TPD were employed to characterize the physicochemical properties. The M-BEA zeolites predominantly exhibit Lewis acidity, and the amount of Lewis acid with medium strength dominated the acetaldehyde conversion variations. The probe-pulse and TPSR experiments were further employed to investigate the reaction pathways to explain the product distribution on the Zr-BEA zeolite, which demonstrated the highest crotonaldehyde yield. The main side products were long-chain unsaturated aldehydes and cyclic compounds from excessive aldol condensation and cyclization. A reaction network for acetaldehyde conversion on Zr-BEA zeolite was ultimately proposed.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114666"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657235","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

Boosting hydroisomerization of n-hexadecane by designing core-shell bifunctional catalysts with partially blocked micropores 通过设计具有部分堵塞微孔的核壳双功能催化剂促进正十六烷的加氢异构化

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-10 DOI: 10.1016/j.mcat.2024.114670

Bo Wang , Xiaoni Wang , Zhifeng Li , Hongxi Pan , Yang Song , Shuo Tao

{"title":"Boosting hydroisomerization of n-hexadecane by designing core-shell bifunctional catalysts with partially blocked micropores","authors":"Bo Wang , Xiaoni Wang , Zhifeng Li , Hongxi Pan , Yang Song , Shuo Tao","doi":"10.1016/j.mcat.2024.114670","DOIUrl":"10.1016/j.mcat.2024.114670","url":null,"abstract":"<div><div>Hydroisomerization of long-chain n-alkanes is an indispensable route for upgrading fossil fuels and lubricant oils to meet the state of art regulations. Precisely regulate the distribution of acidic and metal active sites to suppress unwanted cracking reaction is hitherto a difficult task. In this work, we develop a simple coating-carbonation strategy for constructing novel core-shell bifunctional catalysts, comprising ZSM-22 zeolite core with the partially blocked channels and Pt nanoparticles loaded on the mesoporous SiO2 shell. The unique treatment not only adjusted the distribution of acid sites located within the micropore channels and external surface, but also alter the locations and dispersion of Pt nanoparticles. Owing to the short diffusion lengths, nanoscale distance between acid sites and Pt species, and high metal dispersions, the core-shell bifunctional catalyst exhibits outperformed performance in n-hexadecane hydroisomerization, i.e., the yield of isomerized hexadecane can reach 87.9 %, which is among the relatively high level compared with the previous reported Pt/zeolite counterparts. Moreover, the catalyst also displays excellent stability (no deactivation within 100 h). The disclosed structure-catalysis relationship provides rational reference for designing the synergistic meta-acid active sites in the hydroisomerization of long-chain n-alkanes.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114670"},"PeriodicalIF":3.9,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657233","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

Novel organocatalytic system of R-bian, R-mian and NHPI for selective oxidation of cumene R-卞、R-卞和 NHPI 的新型有机催化系统用于选择性氧化积烯

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-10 DOI: 10.1016/j.mcat.2024.114658

O.S. Koshcheeva , N.I. Kuznetsova , D.E. Babushkin , I.S. Fomenko , A.L. Gushchin

引用次数: 0

Tuning the selectivity of Pd-based catalysts for CO oxidative esterification: Regulating Pd's electronic effect 调节 Pd 基催化剂在 CO 氧化酯化过程中的选择性：调节钯的电子效应

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-09 DOI: 10.1016/j.mcat.2024.114668

Yuanyuan Huang , Qiuyue Mao , Pengbin Pan , Qiao-Hong Li , Yuan-Gen Yao

{"title":"Tuning the selectivity of Pd-based catalysts for CO oxidative esterification: Regulating Pd's electronic effect","authors":"Yuanyuan Huang , Qiuyue Mao , Pengbin Pan , Qiao-Hong Li , Yuan-Gen Yao","doi":"10.1016/j.mcat.2024.114668","DOIUrl":"10.1016/j.mcat.2024.114668","url":null,"abstract":"<div><div>CO oxidative esterification is crucial in converting inorganic CO into organic oxygenated compounds within C1 chemistry and technology. However, understanding the structure-activity relationship underlying this reaction remains limited, primarily due to the entanglement of the Pd's geometric and electronic structures, which complicates selectivity control in practical applications. In this work, we design four Pd-based catalysts using the Al(111) motif to investigate their catalytic performance in CO oxidative esterification through density functional theory (DFT) calculations. Firstly, the larger lattice parameter of Al weakens horizontal Pd–Pd interactions while enhancing the vertical stability of Pd. Secondly, the electronic structure of Pd is locally regulated via charge transfer between subsurface and surface Pd, driven by their differences in work function. Our results indicate that the relative activity between C<img>C coupling for dimethyl oxalate (DMO) and C<img>O coupling for dimethyl carbonate (DMC) is primarily influenced by Pd's electronic effects, as revealed by energy barrier decomposition analysis. Thus, focusing on the regulation of Pd's electronic effects may offer a new strategy for controlling the selective oxidation esterification of CO.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114668"},"PeriodicalIF":3.9,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657232","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

Modeling the role of Ta-dopant and co-catalytic water for activation of CO2 on anatase TiO2(101) 模拟掺杂 Ta 和共催化水在锐钛矿二氧化钛（101）上活化 CO2 的作用

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-08 DOI: 10.1016/j.mcat.2024.114642

Nikil Surya R. , Raju Kumar Gupta , Vishal Agarwal

{"title":"Modeling the role of Ta-dopant and co-catalytic water for activation of CO2 on anatase TiO2(101)","authors":"Nikil Surya R. , Raju Kumar Gupta , Vishal Agarwal","doi":"10.1016/j.mcat.2024.114642","DOIUrl":"10.1016/j.mcat.2024.114642","url":null,"abstract":"<div><div>Herein, we have performed DFT＋U calculations to investigate the adsorption and activation of CO2 on a Ta-doped anatase TiO2(101) and compared it to that on a pristine anatase TiO2(101). Replacing Ti with a higher valence Ta-dopant results in an excess electron, which localizes on the neighboring Ti atom. We find that there is a slight increase in adsorption energy of CO2 with Ta-doping, however, there is no significant change in the barriers for CO2 activation. Further, presence of a water molecule enhances the adsorption energy and stabilizes the CO2 molecule having both linear and bent configurations (activated). This stabilization is more pronounced for a activated CO2 molecule, which is attributed to the strong H-bonding. Apart from being a reactant, water also acts as a co-catalyst and significantly reduces the barrier for CO2 activation. This is true for both anatase TiO2(101) and Ta-doped anatase TiO2(101). We have also investigated the activation of CO2 via hydrogen and two electron transfer, which constitutes the limiting step in the photochemical reduction of CO2 to CH4. Our calculations show that the barriers for CO2 activation via the two-electron pathway are similar for both anatase TiO2(101) and Ta-doped TiO2(101). However, presence of a water molecule on Ta-doped TiO2(101), not only stabilizes the CO2 molecule but also reduces the barrier for CO2 activation dramatically by acting as a co-catalyst.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114642"},"PeriodicalIF":3.9,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657231","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

Ancestor-originated engineering of medium-chain alcohol dehydrogenase enhances its catalytic compatibility by balancing activity, stability, and selectivity trade-offs 中链醇脱氢酶的祖先工程学通过平衡活性、稳定性和选择性之间的权衡，增强了其催化兼容性

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-07 DOI: 10.1016/j.mcat.2024.114657

Jun Wang , Lei Qin , Jie Gu , Lunjie Wu , Man Zou , Xin Su , Yan Xu , Yao Nie

{"title":"Ancestor-originated engineering of medium-chain alcohol dehydrogenase enhances its catalytic compatibility by balancing activity, stability, and selectivity trade-offs","authors":"Jun Wang , Lei Qin , Jie Gu , Lunjie Wu , Man Zou , Xin Su , Yan Xu , Yao Nie","doi":"10.1016/j.mcat.2024.114657","DOIUrl":"10.1016/j.mcat.2024.114657","url":null,"abstract":"<div><div>The role of medium-chain alcohol dehydrogenases (MDR) in the preparation of chiral drug intermediates is indispensable; however, limited activity and stability towards unnatural substrates are crucial factors that restrict their application. Further, research on the ancestral MDRs remains unclear. Therefore, enhancing the activity, selectivity, and stability of MDRs is necessary. In this study, we resurrected ancestors of the MDR family using ancestral sequence reconstruction with descendant GcADH as a probe. Among these ancestors, ancestor 136 exhibited increased thermal stability (ΔTm = 19.5 °C) and had a comparable conversion and selectivity as GcADH to the selected substrates. After in-silico screening using the Funclib tool, we obtained the mutant anc136-R2, which exhibited strengthened selectivity and activity towards N-Benzyl-3,3-difluoropiperidin-4-one (1a). Moreover, the mutations of anc136-R2 were simultaneously mapped to GcADH, resulting GcADH-R2. Based on the results of substrate spectrum characterisation, anc136 was more receptive to mutations. Specifically, for the substrates N-Boc-3-piperidone (4a) and N-boc-3-oxoazepane (7a), the conversion rates of anc136-R2 were 29 and 57 times higher, respectively, than those of GcADH-R2, without compromising selectivity. In conclusion, this work provides guidance for exploring the evolutionary trajectory of the MDR family and further illustrates the superior balanced “trade-off” of activity–selectivity–stability on ancestral enzymes.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114657"},"PeriodicalIF":3.9,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657327","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

Application of a new porous bimetallic H-bond catalyst in the preparation of biological henna-based pyrazolo[3,4-b]quinolines via a cooperative vinylogous anomeric based oxidation 新型多孔双金属 H 键催化剂在通过乙烯基异构体协同氧化法制备生物指甲花基吡唑并[3,4-b]喹啉中的应用

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-07 DOI: 10.1016/j.mcat.2024.114628

Milad Mohammadi Rasooll , Hassan Sepehrmansourie , Mohammad Ali Zolfigol , Mojtaba Hosseinifard , Seyedeh Latifeh Hosseini , Yanlong Gu

{"title":"Application of a new porous bimetallic H-bond catalyst in the preparation of biological henna-based pyrazolo[3,4-b]quinolines via a cooperative vinylogous anomeric based oxidation","authors":"Milad Mohammadi Rasooll , Hassan Sepehrmansourie , Mohammad Ali Zolfigol , Mojtaba Hosseinifard , Seyedeh Latifeh Hosseini , Yanlong Gu","doi":"10.1016/j.mcat.2024.114628","DOIUrl":"10.1016/j.mcat.2024.114628","url":null,"abstract":"<div><div>Bimetallic organic frameworks (bimetallic-MOFs) are considered promising catalysts due to their tunable pores, strength, and high catalytic performance. Here, a bimetallic-MOF-based on iron (Fe) and cobalt (Co) metals was designed, synthesized and characterized. Next, the synthesized bimetallic-MOFs were post-modified with phenyl isocyanate to create urea moieties that are susceptible to hydrogen bonding (H-bond) catalytic activities. Various techniques such as SEM, XRD, BET/BJH, FT-IR, TGA/DTA, EDX and elemental-mapping were used to approve the structure of the synthesized catalyst. MIL-88B(Fe2/Co)-UR acts as an H-bond catalyst in the multi-component reaction to form pyrazolo[3,4-b]quinolines via appropriate sections with medicinal properties. The features of using MIL-88B(Fe2/Co)-UR as an H-bond catalyst are increased efficiency, decreased reaction time and reusability of the catalyst.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114628"},"PeriodicalIF":3.9,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657230","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

Machine learning assisted screening of nitrogen-doped graphene-based dual-atom hydrogen evolution electrocatalysts 机器学习辅助筛选氮掺杂石墨烯基双原子氢进化电催化剂

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-07 DOI: 10.1016/j.mcat.2024.114649

Huijie Zhang , Qiyue Wei , Shuaichong Wei , Yuhong Luo , Wei Zhang , Guihua Liu

{"title":"Machine learning assisted screening of nitrogen-doped graphene-based dual-atom hydrogen evolution electrocatalysts","authors":"Huijie Zhang , Qiyue Wei , Shuaichong Wei , Yuhong Luo , Wei Zhang , Guihua Liu","doi":"10.1016/j.mcat.2024.114649","DOIUrl":"10.1016/j.mcat.2024.114649","url":null,"abstract":"<div><div>Nitrogen doped graphene-based dual-atom catalysts (NG-DACs) usually exhibit high reactivity for hydrogen evolution reaction (HER). The experimental design of efficient DACs-based HER catalysts, however, is time-consuming and expensive. In this work, a density functional theory combined with machine learning (DFT-ML) strategy is adopted towards the rapid screening of NG-DACs HER catalyst. The adsorption energies of HER intermediates on NG-DACs obtained by DFT calculations and their elemental features were used for the ML database construction. The prediction performance of three ML algorithms was evaluated, and gradient boosted regression (GBR) is found exhibit the best prediction accuracy. Using the HER energetics on Pt (111) as reference, quick screening of the NG-DACs with high HER activity was achieved, resulting to twenty-four potential catalysts. Further selection and validation of the ML-screened catalysts were performed by the hydrogen adsorption Gibbs free energy analysis. Accordingly, four promising NG-DACs HER catalysts were predicted using the proposed DFT-ML based catalyst prediction framework. The DFT-ML strategy offers an promising approach for the screening of new HER electrocatalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114649"},"PeriodicalIF":3.9,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657229","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

Band gap effect of TiO2 on supported Ru single-atom catalysts for CO2 methanation by DFT calculations 通过 DFT 计算确定 TiO2 对支撑 Ru 单原子催化剂 CO2 甲烷化的带隙效应

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-05 DOI: 10.1016/j.mcat.2024.114665

Mengni Lei, Boxin Cheng, Yixin Liao, Xiuzhong Fang, Xianglan Xu, Xiang Wang

{"title":"Band gap effect of TiO2 on supported Ru single-atom catalysts for CO2 methanation by DFT calculations","authors":"Mengni Lei, Boxin Cheng, Yixin Liao, Xiuzhong Fang, Xianglan Xu, Xiang Wang","doi":"10.1016/j.mcat.2024.114665","DOIUrl":"10.1016/j.mcat.2024.114665","url":null,"abstract":"<div><div>The influence of TiO2 band gap on structure and reactivity of the supported single ruthenium (Ru1) atom was studied by density functional theory calculations, utilizing Ru1/2L-TiO2 and Ru1/3L-TiO2 as model catalysts for CO2 methanation. The supports have band gaps of 2.39 eV and 1.48 eV, respectively. The band gap plays a significant role in electronic metal-support interactions (EMSIs) and the position of the d-band center of the Ru1 on the TiO2. The Ru1/3L-TiO2, the Ru1 catalyst supported on the 3L-TiO2 with a narrower band gap, shows enhanced EMSIs and a d-band center that is positioned farther from Fermi level, leading to lower charge density on the Ru1 and weaker adsorption of H2, CO2, and CO compared to the Ru1/2L-TiO2. CO2 methanation followed CO pathway, with the hydrogenation of CO* to HCO* identified as the rate-determining step on the Ru1/nL-TiO2. The Ru1 catalyst supported on TiO2 with a narrower band gap is more favorable kinetically and thermodynamically for CO2 methanation, despite the band gap not altering the reaction pathway. Enhanced hydrogen mobility and a pronounced promotional effect of hydrogen on CO adsorption, due to the narrower band gap support, are key factors facilitating the easier hydrogenation of CO* on the Ru1/3L-TiO2.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114665"},"PeriodicalIF":3.9,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142592976","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

Cu3Pt1 alloys confined by penta-coordinate Al3+ on Al2O3 realize CO oxidation at room temperature 五配位 Al3+ 在 Al2O3 上限制的 Cu3Pt1 合金在室温下实现 CO 氧化

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2024-11-05 DOI: 10.1016/j.mcat.2024.114664

Xingling Zhao , Xue Zhou , Wanyan Xing , Zhimin Yuan , Kaili Wang , Qihang Zhang , Yulong Shan , Jiani Liu , Lin Ju , Zaiyong Jiang , Hong He

{"title":"Cu3Pt1 alloys confined by penta-coordinate Al3+ on Al2O3 realize CO oxidation at room temperature","authors":"Xingling Zhao , Xue Zhou , Wanyan Xing , Zhimin Yuan , Kaili Wang , Qihang Zhang , Yulong Shan , Jiani Liu , Lin Ju , Zaiyong Jiang , Hong He","doi":"10.1016/j.mcat.2024.114664","DOIUrl":"10.1016/j.mcat.2024.114664","url":null,"abstract":"<div><div>CO is a ubiquitous air pollutant, frequently encountered in the fields of automotive exhaust purification, especial in the cold-start-emission stage. Pt based catalysts are widely used to purify CO into CO2 owing to their exceptional performance. But they can be few excited to exhibit reasonable catalytic activity due to the low temperature at the cold-start-emission stage. In exhaust gas purification catalysts used by fossil fuel-based vehicles, Al2O3 is used frequently. But there are rarely reports of Pt loaded Al2O3 catalysts achieving feasible activity of CO oxidation at room temperature. Herein, we prepared CuxPty alloy/Al2O3 catalysts (with high penta-coordinated Al3+ (AlV)), AlV centers as binding sites for Cu3Pt1 alloys on Al2O3 enable the high dispersion and stability of Cu3Pt1 alloy. The adsorption capacity of O2 and CO molecules on Cu3Pt1 surface are stronger than the case on Pt surface, which may make O2 and CO molecules more easily activated, making the CO oxidation reaction easier. In addition, the desorption of CO2 from CuxPty surface is easier compared to that on Pt surface, increasing the frequency of use of active sites there. Therefore, this Cu3Pt1/Al2O3 catalyst exhibits 100 % conversion of CO with a GHSV of 6×103 mL·g−1cat·h−1 at room temperature. This work provides a feasible guideline for the design and synthesis of Pt loaded Al2O3 catalysts toward room temperature CO oxidation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"570 ","pages":"Article 114664"},"PeriodicalIF":3.9,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142587056","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