Molecular Catalysis最新文献_第6页

Efficient hydrogenation of biomass-derived furfural to tetrahydrofurfuryl alcohol over a non-noble Ni/CeO2 catalyst under mild conditions 在温和条件下，非贵重Ni/CeO2催化剂上生物质衍生的糠醛高效加氢制四氢糠醇

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-05 DOI: 10.1016/j.mcat.2025.115261

Qing Tang, Xiaoao Sun , Zidie Duan, Zisheng Xiao, Xianxiang Liu

{"title":"Efficient hydrogenation of biomass-derived furfural to tetrahydrofurfuryl alcohol over a non-noble Ni/CeO2 catalyst under mild conditions","authors":"Qing Tang, Xiaoao Sun , Zidie Duan, Zisheng Xiao, Xianxiang Liu","doi":"10.1016/j.mcat.2025.115261","DOIUrl":"10.1016/j.mcat.2025.115261","url":null,"abstract":"<div><div>Tetrahydrofurfuryl alcohol (THFA) is an important green solvent and a key feedstock for the synthesis of chemicals such as succinic acid, 1,5-pentanediol, tetrahydrofuran, and pyran. In this study, a Ni/CeO₂ catalyst was synthesized <em>via</em> a simple co-precipitation method, which can efficiently catalyze the hydrogenation of biomass-derived furfural to THFA under mild conditions. The catalyst was characterized using XRD, XPS, H₂-TPR, H₂-TPD, and CO₂-TPD. The results indicate that hydrogen molecules adsorb and dissociate into active hydrogen species on the highly dispersed Ni<sup>0</sup> active sites, which then rapidly migrate to the catalyst surface to attack adsorbed furfural, generating furfuryl alcohol, which is subsequently hydrogenated to THFA. Additionally, the stability and reusability of the catalyst were thoroughly investigated. The 20Ni/CeO₂ catalyst maintained good catalytic activity after five cycles of reuse. This work demonstrates the potential of non-noble metal Ni-based catalysts for efficient hydrogenation under low-temperature and low-pressure conditions, providing a new approach for the economical and efficient production of THFA.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"584 ","pages":"Article 115261"},"PeriodicalIF":3.9,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212002","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

Mesoporous and heterogeneous structures together assist NiCoP/CoMoO4 in hydrogen evolution reaction 介孔结构和非均相结构共同促进NiCoP/CoMoO4的析氢反应

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-05 DOI: 10.1016/j.mcat.2025.115252

Guangzheng Xu , Jie Gao , Jing Peng , Haoran Lei , Dandan Cao , Xiuhua Wang

引用次数: 0

1,10-phenanthroline complexes derived N-doped Pd nanoparticle encapsulated in TS-1 zeolite for acetylene dialkoxycarbonylation 1,10-邻菲罗啉配合物衍生的n掺杂Pd纳米颗粒包封于TS-1沸石中用于乙炔二氧羰基化

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-04 DOI: 10.1016/j.mcat.2025.115255

Yongkang Sun , Yong Wang , Fusheng Huang , Tingting Wang , Yong Guo , Jiangbing Li , Yongsheng Li , Bin Dai

{"title":"1,10-phenanthroline complexes derived N-doped Pd nanoparticle encapsulated in TS-1 zeolite for acetylene dialkoxycarbonylation","authors":"Yongkang Sun , Yong Wang , Fusheng Huang , Tingting Wang , Yong Guo , Jiangbing Li , Yongsheng Li , Bin Dai","doi":"10.1016/j.mcat.2025.115255","DOIUrl":"10.1016/j.mcat.2025.115255","url":null,"abstract":"<div><div>Achieving stable heterogeneous catalysts remains a critical challenge in acetylene dialkoxycarbonylation. This study introduces a strategy to encapsulate Pd nanoparticles within TS-1 zeolite via a ligand-protection method, followed by N doping to enhance catalyst stability. It is verified that N doping onto Pd nanoparticles could modify its nanostructure and the coordination bonds, so that the thermal stability of which was significantly enhanced and the CO adsorption capability on it was improved. Moreover, the number of Lewis acid sites (LAS) or Brønsted acid sites (BAS) could be tuned by adjusting the amount of tetrapropylammonium hydroxide (TPAOH) in the synthesis process. The increased number of acid sites enhanced the adsorption capacity of the Pd-N@TS-1(1) catalyst for acetylene, thereby mitigating the deactivation of Pd sites by C₂H₂ under CO-rich conditions. Consequently, the optimized catalyst exhibited a high dialkoxycarbonylation selectivity of 97 % with a significantly improved cycling stability over five cycles. Density Functional Theory (DFT) calculations revealed that the Pd-N site was the primary active center for CO activation, N doping reduced the adsorption energy of CO, promoted its enrichment, and increased the insertion frequency of CO, thereby enhanced the catalytic activity. This approach to controlling the catalytic behavior of Pd sites provides a promising strategy for designing efficient catalysts with long-term stability for acetylene dialkoxycarbonylation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"584 ","pages":"Article 115255"},"PeriodicalIF":3.9,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204589","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

Theoretical investigation of Fe-corrolazine-based single-atom electrocatalysis for NO-to-NH3 conversion 铁-腐蚀锌基单原子电催化no - nh3转化的理论研究

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-04 DOI: 10.1016/j.mcat.2025.115256

Wei Yang , Haiyan Wang , Ruo-Ya Wang , Bin Li , Cheng-Cheng Song , Chun Zhu , Jin-Xia Liang , Jun Li

{"title":"Theoretical investigation of Fe-corrolazine-based single-atom electrocatalysis for NO-to-NH3 conversion","authors":"Wei Yang , Haiyan Wang , Ruo-Ya Wang , Bin Li , Cheng-Cheng Song , Chun Zhu , Jin-Xia Liang , Jun Li","doi":"10.1016/j.mcat.2025.115256","DOIUrl":"10.1016/j.mcat.2025.115256","url":null,"abstract":"<div><div>The electrochemical conversion of NO into value-added NH<sub>3</sub> presents a promising strategy for addressing energy challenges and mitigating environmental pollution. Although noble metal-based catalysts currently predominate in electrocatalytic NO reduction reaction (eNORR) research, their practical deployment remains constrained by excessive costs and limited atomic utilization efficiency. Non-noble metal corrolazines have shown remarkable catalytic capabilities in homogeneous systems, presenting innovative possibilities for eNORR implementation. Herein, we engineered a two-dimensional Fe-corrolazine single-atom catalyst (2D-Fe<sub>cor</sub> SAC) through alkynyl-bridged assembly of Fe-corrolazine units. Then extensive density functional theory (DFT) calculations were conducted to explore its structural and electronic properties, as well as its eNORR catalytic behavior. The results show 2D-Fe<sub>cor</sub> SAC exhibits excellent stability, and each Fe atom retains its catalytic active center, which can effectively adsorb and activate NO. Notably, 2D-Fe<sub>cor</sub> SAC exhibits superior eNORR performance via an N-distal pathway, achieving a low limiting potential of −0.44 V with significant suppression of the hydrogen evolution reaction (HER). Crucially, aqueous environments enhance the catalytic efficiency and further reduce the limiting potential to −0.18 V. This significant activity originates from synergistic effects: the corrolazine framework enables precise electron transfer modulation while Fe centers facilitate efficient charge transport. Our work establishes a novel approach for developing cost-effective electrocatalysts to simultaneously remediate NO pollution and produce sustainable ammonia.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"584 ","pages":"Article 115256"},"PeriodicalIF":3.9,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204591","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

Pyridine derivatives modified CuPt metals for CO2 electroreduction 吡啶衍生物修饰CuPt金属用于CO2电还原

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-03 DOI: 10.1016/j.mcat.2025.115254

Yali Wang , Jingwei Zhu , Cheng Wang , Leibing Chen , Menghan Li , Jiaxing Lu , Huan Wang

{"title":"Pyridine derivatives modified CuPt metals for CO2 electroreduction","authors":"Yali Wang , Jingwei Zhu , Cheng Wang , Leibing Chen , Menghan Li , Jiaxing Lu , Huan Wang","doi":"10.1016/j.mcat.2025.115254","DOIUrl":"10.1016/j.mcat.2025.115254","url":null,"abstract":"<div><div>Conversion of CO<sub>2</sub> into high-value chemicals through electro-catalysis is a promising approach. This study based on the design flexibility of copper-based catalysts and the proton transfer properties of pyridine, mercaptopyridine (HSPy)-modified copper-based bimetallic materials were prepared for the electrocatalytic reduction of CO<sub>2</sub>, taking advantage of the bonding interactions between metals and sulfur. The Cu<sub>1</sub>Pt<sub>0.05</sub>-SPy<sub>x</sub> composites, prepared through a one-step method, exhibit high Faradaic efficiency for CO<sub>2</sub> conversion, particularly to methanol and methane. This excellent performance is mainly attributed to the synergistic interaction between the metals and between the metal and the modified pyridine. Pyridine modified on the composite through M-S bonds can effectively promote H transfer and assist in the reduction of CO<sub>2</sub>. The introduction of Pt tunes the electronic structure of Cu and significantly increases the extent of pyridine modification, improves the stability. The result in an efficient and stable heterogeneous electrocatalytic material with promising potential for future applications.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"584 ","pages":"Article 115254"},"PeriodicalIF":3.9,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204586","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

Solar-driven PMS activation over Ag/Halloysite nanotubes onto floatable integrated device for pollutant degradation and coupled interfacial water evaporation 银/高岭土纳米管上太阳能驱动PMS在可浮式集成装置上的活化，用于污染物降解和耦合界面水蒸发

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-03 DOI: 10.1016/j.mcat.2025.115248

Jiayi Zhou , Hongyao Zhao , Yifang Zhang , Hongyang Zhu , Yueji Cai , Yanyun Wang , Danhong Shang , Tongyi Yang , Fu Yang , Jingjing Tang

{"title":"Solar-driven PMS activation over Ag/Halloysite nanotubes onto floatable integrated device for pollutant degradation and coupled interfacial water evaporation","authors":"Jiayi Zhou , Hongyao Zhao , Yifang Zhang , Hongyang Zhu , Yueji Cai , Yanyun Wang , Danhong Shang , Tongyi Yang , Fu Yang , Jingjing Tang","doi":"10.1016/j.mcat.2025.115248","DOIUrl":"10.1016/j.mcat.2025.115248","url":null,"abstract":"<div><div>The solar-driven photothermal photocatalytic contaminant degradation and water evaporation coupled technique is promising for practical wastewater treatment. This study developed photothermal HNTs@Ag/C-5 nanocomposites by polycondensation of tannic acid with silver and following carbonization to construct plasmonic silver nanoparticle onto halloysite nanotubes (HNTs). The incorporation of Ag onto HNTs enhanced electron-hole separation, enabling efficient activation of potassium peroxymonosulfate (PMS) under sunlight. A floatable integrated device was constructed by anchoring the catalyst to a melamine sponge via calcium ion-cross-linked sodium alginate. This device achieved 84.3 % degradation of carbamazepine (CBZ) in 90 min under light, with a reaction rate constant of 0.01685 min<sup>−</sup>¹, nearly four times higher than unmodified halloysite nanotubes. The photocatalytic PMS activation over HNTs@Ag/C-5 also show great potential for detoxifying other pharmaceutical compounds such as tetracycline (TC) and norfloxacin (NFX) in wastewater. Radical trapping and quenching experiments confirmed hydroxyl radicals (·OH) as the dominant reactive oxidative species in CBZ degradation. Additionally, the device functioned as a solar-driven photothermal evaporator, achieving an evaporation rate of 1.654 kg <em>m</em><sup>−</sup>² <em>h</em><sup>−</sup>¹. Reusability tests demonstrated consistent performance, with only a 4 % efficiency drop after multiple degradation cycles. This reported monolith evaporator affords possible opportunity for treating complex wastewater when harnessing the evaporation to obtain freshwater and synchronously degrade contaminant.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"583 ","pages":"Article 115248"},"PeriodicalIF":3.9,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195990","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

Theoretical insight on transition metal cluster-loaded crystalline carbon nitride for hydrogen evolution reactions 过渡金属簇载结晶氮化碳析氢反应的理论研究

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-03 DOI: 10.1016/j.mcat.2025.115257

Jing Kong , Yi Li , Yongfan Zhang , Wei Lin

{"title":"Theoretical insight on transition metal cluster-loaded crystalline carbon nitride for hydrogen evolution reactions","authors":"Jing Kong , Yi Li , Yongfan Zhang , Wei Lin","doi":"10.1016/j.mcat.2025.115257","DOIUrl":"10.1016/j.mcat.2025.115257","url":null,"abstract":"<div><div>Increasing the active sites upon single-atom catalysts is an optional strategy to increase the catalyst efficiency. In this study, the loading of three and four Group VIII and Group IB transition metal (TM) atoms on poly(triazine imide) (PTI) nanosheets was firstly explored. Meanwhile, comprehensive first-principles investigations were carried out to explore their structural stability, electronic properties, and catalytic performances in the context of the hydrogen evolution reaction (HER). Our results indicate that 11 catalysts are suitable candidates for HER applicability among the total 38 catalysts. Notably, the 4TM@H-PTI catalysts have more active sites than 3TM@H-PTI and show more effective electron transfer with the substrate. Consequently, the 4TM@H-PTI catalysts can be regarded as novel and highly prospective candidates for HER applications. The present work provides valuable insights and paves the way for the design of co-catalysts on PTI that are both low-cost and high-performance, potentially creating novel opportunities for progress within the realm of photocatalysis and sustainable energy.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"583 ","pages":"Article 115257"},"PeriodicalIF":3.9,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144196069","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

Computational investigation on tunable enantioselectivity of asymmetric 1,4-additions by chiral sulfoxide-olefin chelated rhodium complex 手性亚砜-烯烃螯合铑络合物对1,4-不对称加成可调对映选择性的计算研究

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-03 DOI: 10.1016/j.mcat.2025.115245

Chaoren Shen, Kaiwu Dong

{"title":"Computational investigation on tunable enantioselectivity of asymmetric 1,4-additions by chiral sulfoxide-olefin chelated rhodium complex","authors":"Chaoren Shen, Kaiwu Dong","doi":"10.1016/j.mcat.2025.115245","DOIUrl":"10.1016/j.mcat.2025.115245","url":null,"abstract":"<div><div>This computational study investigates the tunable enantioselectivity of rhodium-catalyzed asymmetric 1,4-additions of phenylboronic acids to cyclohexenone using chiral sulfoxide-olefin hybrid ligands. The roles of non-chiral alkene substituents and their positional variations in stereocontrol were elucidated by comparing the free-energy differences in enantio‑determining carborhodation transition states and quantifying the steric effect with the percentages of buried volume. The results revealed that substituent position and steric bulk significantly influenced enantioselectivity, enabling inversion of 1,4-addition product configuration through ligand structural modifications. A revised stereocontrol model, contrasting prior proposals, highlighted the impact of minor conformational isomers and geometric variation of the chiral pocket. The computational results also predicted that replacing the tert‑butyl substituent with the bulkier 1-adamantyl group in the chiral sulfoxide fragment did not enhance selectivity, underscoring the dominant role of alkene substituents. This work provides mechanistic insights into ligand design for enantiodivergent catalysis, emphasizing the interplay between steric hindrance and conformational flexibility in asymmetric synthesis.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"584 ","pages":"Article 115245"},"PeriodicalIF":3.9,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204587","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

Steric hindrance scanning for activity enhancement of β-glucosidase BgMd and its application in glucoside transformation 位阻扫描增强β-葡萄糖苷酶BgMd活性及其在葡萄糖苷转化中的应用

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-03 DOI: 10.1016/j.mcat.2025.115260

Hui Xia , Yameng Zhou , Yuanyuan Zheng, Qing Xu, Feng Xue

{"title":"Steric hindrance scanning for activity enhancement of β-glucosidase BgMd and its application in glucoside transformation","authors":"Hui Xia , Yameng Zhou , Yuanyuan Zheng, Qing Xu, Feng Xue","doi":"10.1016/j.mcat.2025.115260","DOIUrl":"10.1016/j.mcat.2025.115260","url":null,"abstract":"<div><div>There is increasing interest in the protein engineering of β-glucosidases for improving transformation of glycosides. In this study, a novel steric hindrance scanning strategy is applied to β-glucosidase BgMd, resulting in six single-point mutants with significantly increased activity. Further iteration results in the optimized mutant E329K/R72N/A94H/T135H showed a remarkable 26.1-fold improvement in activity over the wild type. The time needed for the hydrolysis of 20 g/L polydatin is cut in half, and the conversion rate is increased to 95.93 %. Mutant A94T/V336T hydrolyzes 2 g/L of ginsenoside Rba1 in 48 h to generate CK with a yield increase from 26.94 to 76.38 %. The mutant E329N hydrolyses 2 g/L of astragaloside in 48 h with a yield increase from 30.19 to 96.23 %. BgMd and mutants exhibit optimal activity at 50–60 °C and pH 7.0, with enhanced stability and improved tolerance in select mutants. Molecular docking and molecular dynamics showed that the substrate pocket is split in two, and the catalytic effect of the mutants is largely explained. Molecular dynamics simulations provided evidence of structural changes and reduced interaction energies in the mutants. These results validate the steric hindrance strategy as an effective method to apply β-glucosidase in the biotransformation of glycosides.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"584 ","pages":"Article 115260"},"PeriodicalIF":3.9,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204588","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

Co-modified rod-like α-MnO2 with elevated activity, CO2 yield and stability for efficient oxidation of chlorobenzene 共改性棒状α-MnO2提高了活性、CO2产率和稳定性，用于氯苯的高效氧化

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-06-03 DOI: 10.1016/j.mcat.2025.115249

Qi Huang , Caiting Li , Ying Zhang , Xuan Liu , Ziang Zhang , Jungang Zhao , Le Huang , Kuang Yang , Miaomiao Hu , Miao Zhang

{"title":"Co-modified rod-like α-MnO2 with elevated activity, CO2 yield and stability for efficient oxidation of chlorobenzene","authors":"Qi Huang , Caiting Li , Ying Zhang , Xuan Liu , Ziang Zhang , Jungang Zhao , Le Huang , Kuang Yang , Miaomiao Hu , Miao Zhang","doi":"10.1016/j.mcat.2025.115249","DOIUrl":"10.1016/j.mcat.2025.115249","url":null,"abstract":"<div><div>The catalytic oxidation of chlorobenzene by α-MnO<sub>2</sub> has received much attention due to its excellent redox capacity. However, the differences in the catalytic activities of α-MnO<sub>2</sub> with different morphologies in chlorobenzene and how to improve their chlorine resistance have not been fully explored. In this paper, a variety of α-MnO<sub>2</sub> with different morphologies were prepared by hydrothermal and co-precipitation methods and examined for their catalytic performance in chlorobenzene oxidation, from which rod-like α-MnO<sub>2</sub> was selected as a matrix candidate and modified with different contents of Co to further enhance its catalytic performance. The loading of Co elevated the activity and CO<sub>2</sub> yield of α-MnO<sub>2</sub> and retarded its deactivation process in durability tests. In addition, the Co-modified α-MnO<sub>2</sub> nanorods exhibited better resistance to SO<sub>2</sub>, NO, toluene, and H<sub>2</sub>O at high temperatures, with versatile applicability to actual complex flue gas conditions. Characterization of the physicochemical properties showed that the introduction of Co increased the reduction capacity, the content and mobility of surface reactive oxygen species, and the acidity of α-MnO<sub>2</sub> (especially the medium-strong acidic sites), which synergistically contributed to the enhancement of the catalytic performance. It was concluded that the deactivation of the catalyst was associated with adsorption of Cl-containing species and coke deposition on its surface. Possible degradation pathways of CB on the prepared catalysts were explored through in situ <em>DRIFTS</em> technology. This paper presents the loading of Co on α-MnO<sub>2</sub> nanorods is a promising strategy for the design of cost-effective and high-performance Mn-based catalysts for the catalytic oxidation of CVOCs.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"583 ","pages":"Article 115249"},"PeriodicalIF":3.9,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195989","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