Molecular Catalysis最新文献_第2页

Recent advances in the application of contiguously functionalized aziridines for the synthesis of pharmaceutical precursors via regioselective ring-opening reactions

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-26 DOI: 10.1016/j.mcat.2025.114943

Huimyoung Byeon , Hyun-Joon Ha , Jung Woon Yang

{"title":"Recent advances in the application of contiguously functionalized aziridines for the synthesis of pharmaceutical precursors via regioselective ring-opening reactions","authors":"Huimyoung Byeon , Hyun-Joon Ha , Jung Woon Yang","doi":"10.1016/j.mcat.2025.114943","DOIUrl":"10.1016/j.mcat.2025.114943","url":null,"abstract":"<div><div>Contiguously functionalized aziridines, including epoxyaziridines, bisaziridines, and cyclopropylaziridines, are valuable intermediates in the synthesis of medicinally relevant compounds owing to their distinctive reactivity and structural versatility. This review explores strategic routes for the synthesis and application of these three-membered (hetero)cyclic systems, highlighting how their regioselective ring-opening reactions (RORs) facilitate the formation of diverse nitrogen-containing scaffolds. By focusing on the design and functionalization of contiguous aziridines, we demonstrated their utility in constructing complex chiral frameworks and bioactive moieties, such as those found in antibiotics, antifungal agents, and other pharmacologically significant molecules. The unique reactivity of aziridine-based systems enables selective transformations that enhance both synthetic efficiency and stereocontrol, offering flexible pathways for the development of therapeutically relevant compounds. This review emphasizes the recent advancements in the regioselective functionalization of aziridine-based (hetero)cycles, underscoring their potential to drive innovation in medicinal chemistry and drug discovery.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114943"},"PeriodicalIF":3.9,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488083","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

Cooperation of active site isolation and charge transfer in intermetallic Al-Co catalysts boosting the semi-hydrogenation of phenylacetylene

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-26 DOI: 10.1016/j.mcat.2025.114922

Huibin Liu, Wenhao Yang, Weilin Shen, Ying Zhong, Wenjun Zhu, Xiao Chen, Changhai Liang

{"title":"Cooperation of active site isolation and charge transfer in intermetallic Al-Co catalysts boosting the semi-hydrogenation of phenylacetylene","authors":"Huibin Liu, Wenhao Yang, Weilin Shen, Ying Zhong, Wenjun Zhu, Xiao Chen, Changhai Liang","doi":"10.1016/j.mcat.2025.114922","DOIUrl":"10.1016/j.mcat.2025.114922","url":null,"abstract":"<div><div>The long-term scientific challenge and pursuit for semi-hydrogenation of alkynes to alkenes can be satisfied by regulating metal active centers or developing new catalytic materials. Herein, Al-Co<em><sub>x</sub></em> intermetallic catalysts are successfully prepared by reducing metal oxides using LiCl-CaH<sub>2</sub> composite molten salts, which are utilized for the semi-hydrogenation of phenylacetylene to styrene. The AlCo intermetallic catalyst with amorphous alumina encapsulation, resulting from the non-stoichiometric ratio feeding, exhibits significantly high styrene selectivity (83 %) at 99 % conversion of phenylacetylene under 100 °C and 0.3 MPa H<sub>2</sub>, which is much better than those of surface Co-rich samples and Co/Al<sub>2</sub>O<sub>3</sub> catalyst. The selectivity enhancement in phenylacetylene semi-hydrogenation is attributed to the alteration in the adsorption mode of styrene over AlCo intermetallic catalyst surface, which facilitates by the electron-rich and isolated Co active sites. Moreover, in hydrogenation of alkyne with different functional groups and steric hindrances, the corresponding alkene selectivity is similarly satisfactory, and the catalyst is easy to separate and has a stable structure. This work offers a valuable approach for tailoring the catalytic performance of intermetallic compounds formed by transition metal aluminides, and expanding their potential applications in efficient hydrogenation catalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114922"},"PeriodicalIF":3.9,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488082","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

Recent advances in organocatalytic enantioselective syntheses of β-fluoroamine compounds

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-26 DOI: 10.1016/j.mcat.2025.114944

Taeyang Do , Geun Ho Kim , Ramon Rios , Jung Woon Yang

引用次数: 0

High-performance MnOx-CuO catalysts for low-temperature CO oxidation: metal interaction and reaction mechanism

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-24 DOI: 10.1016/j.mcat.2025.114945

Zhengda Yang , Yingchun Sun , Peiyuan Li , Shuo Zhang , Xin Sun , Siyuan Cheng , Ye Jiang

{"title":"High-performance MnOx-CuO catalysts for low-temperature CO oxidation: metal interaction and reaction mechanism","authors":"Zhengda Yang , Yingchun Sun , Peiyuan Li , Shuo Zhang , Xin Sun , Siyuan Cheng , Ye Jiang","doi":"10.1016/j.mcat.2025.114945","DOIUrl":"10.1016/j.mcat.2025.114945","url":null,"abstract":"<div><div>A series of MnO<em><sub>x</sub></em>-CuO catalysts were fabricated by redox precipitation (MnCu-YH), hydrothermal (MnCu-SR), and oxalate complexation methods (MnCu-LH) for low-temperature CO oxidation. The results showed that the MnCu-YH achieved 100 % CO conversion at 175 ℃ with WHSV of 60000 ml/ (g·h). It was also observed that SO<sub>2</sub> could deactivate the catalyst, while H<sub>2</sub>O could delay the toxicity. Through the characterization of HR-TEM, XRD, BET, it was found that MnCu-YH possessed a typical nanorod structure and the largest specific surface area, measured at 45.54 m<sup>2</sup>·g<sup>−1</sup>. XPS and H<sub>2</sub>-TPR analyses revealed that MnCu-YH had the highest ratio of adsorbed oxygen and Mn<sup>3+</sup>, and excellent redox capacity, which were due to the redox cycle formed by Mn ions and Cu ions (Cu<sup>+</sup> + Mn<sup>4+</sup> ↔ Cu<sup>2+</sup> + Mn<sup>3+</sup>). This redox cycle could strengthen the metal interaction between Mn and Cu, which is the fundamental factor driving the strong CO oxidation activity of MnCu-YH. Besides, CO-TPD investigation showed that MnCu-YH has the most CO adsorption sites and is more likely to adsorb CO. A catalytic mechanism for CO oxidation was proposed depending on in-situ DRIFTS characterization. As the adsorption site of CO, Cu<sup>+</sup> formed CO-Cu<sup>+</sup> species, which reacted with surface reactive oxygen species to produce CO<sub>2</sub>, and MnO<em><sub>x</sub></em> participated in the reaction by changing its oxidation state to cause oxygen transfer.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114945"},"PeriodicalIF":3.9,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474859","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

Insights into morphology-dependent MIL-100(Fe) catalyst towards high efficiency photothermal reduction of CO2 by H2O

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-24 DOI: 10.1016/j.mcat.2025.114948

Tiaotiao Wang , Pengfei Zhu , Maoying Wang , Xinyue Meng , Run Li , Longshuai Sun , Li Tan

{"title":"Insights into morphology-dependent MIL-100(Fe) catalyst towards high efficiency photothermal reduction of CO2 by H2O","authors":"Tiaotiao Wang , Pengfei Zhu , Maoying Wang , Xinyue Meng , Run Li , Longshuai Sun , Li Tan","doi":"10.1016/j.mcat.2025.114948","DOIUrl":"10.1016/j.mcat.2025.114948","url":null,"abstract":"<div><div>The photothermal catalytic CO<sub>2</sub> reduction has emerged as a promising technology for the effective use of solar energy and the reduction of greenhouse gas emissions. MIL-100(Fe), as a MOF material, is always considered an excellent catalyst due to its excellent porous structure, low toxicity, extraordinarily high chemical stability and abundant active sites. However, the relationship between morphology and photothermal catalytic CO<sub>2</sub> reduction is still being explored and studied. Here, we prepared the MIL-100(Fe) catalysts with different morphologies of nanospheres, nanoparticles and bulk to investigate their photothermal catalytic CO<sub>2</sub> reduction performance. The results showed that the nanospherical sample exhibited the highest activity for photothermal CO<sub>2</sub> reduction by H<sub>2</sub>O with CO productivity of 124.04 μmol·g<sup>-1</sup>·h<sup>-1</sup> higher than the other two samples. The characterization results and mechanism analysis indicated that the nanospherical sample had a lower band gap energy value, lower luminescence intensity and stronger transient photocurrent response, which effectively promoted the separation of photo generated electron-hole pairs. More importantly, the AQE calculation results indicated that the nanospherical sample exhibited more lower activation energy in the presence of both light and heat, which is beneficial for photothermal CO<sub>2</sub> catalytic to CO. This interesting find will provide experimental evidence for studying the morphology effect on photothermal catalytic CO<sub>2</sub> reduction process.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114948"},"PeriodicalIF":3.9,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480577","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

Rational design of SrMnO3/Mullite mixed-phase oxide as highly efficient catalysts for NO oxidation

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-24 DOI: 10.1016/j.mcat.2025.114947

Ran Yu , Qiuyao Jiao , Lei Li , Jianjian Zhu , Dong Wang

{"title":"Rational design of SrMnO3/Mullite mixed-phase oxide as highly efficient catalysts for NO oxidation","authors":"Ran Yu , Qiuyao Jiao , Lei Li , Jianjian Zhu , Dong Wang","doi":"10.1016/j.mcat.2025.114947","DOIUrl":"10.1016/j.mcat.2025.114947","url":null,"abstract":"<div><div>Catalytic oxidation of nitric oxide (NO) is a critical step for solving diesel engine exhaust issues. Owing to low cost and high thermal stability, mullite‐type oxides (e.g., SmMn<sub>2</sub>O<sub>5</sub>) are an efficient substitute for the commercial platinum-group-metal (PGM) catalysts. Here, a series of Sm<sub>1−x</sub>Sr<sub>x</sub>Mn<sub>2</sub>O<sub>5</sub> catalysts were precisely synthesized by the sol-gel method. By introducing strontium (Sr) species, the NO oxidation activity improved significantly, and the optimum performance was achieved over Sm<sub>0.6</sub>Sr<sub>0.4</sub>Mn<sub>2</sub>O<sub>5</sub> catalyst (92 % conversion at 270 °C). The XRD, TEM and XPS results show the formation of a mixed-phase oxide and the interfacial structure between the SmMn<sub>2</sub>O<sub>5</sub> mullite and SrMnO<sub>3</sub> perovskite in the Sm<sub>0.6</sub>Sr<sub>0.4</sub>Mn<sub>2</sub>O<sub>5</sub> sample. Compared with pure SmMn<sub>2</sub>O<sub>5</sub> and SrMnO<sub>3</sub>, the Sr substitution improves the specific surface area and amounts of surface adsorbed oxygen species and surface Mn active sites. The rich oxygen vacancies were also determined by the EPR, XPS and O<sub>2</sub>-TPD technique, which also strengthen the NO adsorption. It reveals that all these factors benefit higher NO catalytic oxidation performance. This study provides an economic alternative to catalyze NO oxidation reactions in diesel oxidation catalysis.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114947"},"PeriodicalIF":3.9,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480576","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

Selective hydrodeoxygenation of guaiacol and bio-oil to cycloalkanes over Ni-based catalysts supported on altered Hβ zeolite

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-24 DOI: 10.1016/j.mcat.2025.114932

Zong-Pin Fu , Qi-Jie Zhou , Yun-Peng Zhao , Yu-Fa Wu , Fang-Jing Liu , Mei Zhong , Jian Li , Jing Liang , Jing-Pei Cao

{"title":"Selective hydrodeoxygenation of guaiacol and bio-oil to cycloalkanes over Ni-based catalysts supported on altered Hβ zeolite","authors":"Zong-Pin Fu , Qi-Jie Zhou , Yun-Peng Zhao , Yu-Fa Wu , Fang-Jing Liu , Mei Zhong , Jian Li , Jing Liang , Jing-Pei Cao","doi":"10.1016/j.mcat.2025.114932","DOIUrl":"10.1016/j.mcat.2025.114932","url":null,"abstract":"<div><div>The high oxygen content and low calorific value of bio-oil make it unsuitable for direct production of high energy density fuels. To address this issue, the C-O-C, C-O-H, and C-C bonds in the oxygenated compounds of bio-oil can be modified through hydrodeoxygenation (HDO) reaction. In this study, we synthesized a series of efficient Ni-CoOx/Hβ-u catalysts by impregnating Hβ molecular sieve modified with urea under mild conditions. The catalytic HDO performance of these catalysts was evaluated using guaiacol and dealkalized lignin oil as substrates. The results indicate that the Ni-15CoOx/Hβ-u catalyst demonstrated superior activity. The suitable specific surface area and pore volume of the Ni-15CoOx/Hβ-u catalysts, as well as uniformly dispersed metal particles on their surface, increased the number of active sites available for HDO. Additionally, the presence of defective sites on the CoOx surface and acidic sites on the catalyst facilitate the breaking of intermediate C-O bonds (deoxygenation) and dehydration reactions. Utilizing the Ni-15CoOx/Hβ-u catalysts, guaiacol was completely converted to cyclohexane with 100% selectivity (at 180 °C, 1.0 MPa H<sub>2</sub>, 40 min). Furthermore, the phenolic compounds in bio-oil could also be transformed into cycloalkanes via the HDO process. These findings suggest that the Ni-15CoOx/Hβ-u catalyst has the potential to effectively hydrodeoxygenate bio-oil under mild reaction conditions.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114932"},"PeriodicalIF":3.9,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474910","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

Engineering nickel doped cobalt phosphide as a photocatalyst toward visible-light-driven CO2 reduction

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-22 DOI: 10.1016/j.mcat.2025.114940

Fan Wu , Chengwei Zhou , Yonggong Tang , Jiangang Han , Weinan Xing , Guangyu Wu , Yudong Huang

{"title":"Engineering nickel doped cobalt phosphide as a photocatalyst toward visible-light-driven CO2 reduction","authors":"Fan Wu , Chengwei Zhou , Yonggong Tang , Jiangang Han , Weinan Xing , Guangyu Wu , Yudong Huang","doi":"10.1016/j.mcat.2025.114940","DOIUrl":"10.1016/j.mcat.2025.114940","url":null,"abstract":"<div><div>Solar-driven photocatalytic CO<sub>2</sub> reduction to clean hydrocarbon fuels offers great potential for mitigating the greenhouse effect and energy crisis. However, achieving high selectivity and efficiency in visible-light-driven CO<sub>2</sub>-to-CH<sub>4</sub> conversion remains a major challenge. In this work, a series of nickel-doped cobalt phosphide photocatalysts (NiCoP) with varying doping mass ratios were prepared using ZIF-67 as the precursor. The NiCoP photocatalyst exhibited a unique and regular nanoflower-like spherical structure, making it suitable for visible-light-driven CO<sub>2</sub> reduction. The research demonstrated that, compared to CoP, the synthesized Ni-doped CoP photocatalyst exhibited superior photocatalytic performance in CO<sub>2</sub> reduction, particularly in terms of CH<sub>4</sub> product selectivity. Among the tested catalysts, NiCoP-4 displayed the highest performance, achieving CO and CH<sub>4</sub> production rates of 599.00 and 3458.00 µmol h<sup>−1</sup> g<sup>−1</sup>, respectively. The regular nanoflower-like spherical structure offers enhanced accessibility to active sites and improved charge separation/transfer efficiency, significantly reducing the charge transfer distance. This work provides a theoretical foundation for the development and application of novel nanoflower-like spherical photocatalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114940"},"PeriodicalIF":3.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471643","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

Investigating the role of potassium modification in the catalytic activity and stability of ZnO-activated carbon catalysts for methyl formate decomposition

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-22 DOI: 10.1016/j.mcat.2025.114946

Ran Wang , Xin Zhang , Yuanyuan Huang , Wei Shen , Liyuan Xu , Haoyi Tong , Pengbin Pan , Yuan-Gen Yao

{"title":"Investigating the role of potassium modification in the catalytic activity and stability of ZnO-activated carbon catalysts for methyl formate decomposition","authors":"Ran Wang , Xin Zhang , Yuanyuan Huang , Wei Shen , Liyuan Xu , Haoyi Tong , Pengbin Pan , Yuan-Gen Yao","doi":"10.1016/j.mcat.2025.114946","DOIUrl":"10.1016/j.mcat.2025.114946","url":null,"abstract":"<div><div>Methyl formate (MF) decomposition is essential for producing valuable chemicals, but finding efficient and stable catalysts is challenging. This study explores the catalytic performance of ZnO/AC, K8-10-4/AC, and Zn5K8-10-4/AC in MF decomposition. The catalysts were synthesized by varying the potassium-to-carbon ratios and the calcination temperatures and durations, and characterized using nitrogen adsorption, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), CO<sub>2</sub>-TPD, and <em>in-situ</em> DRIFTS. Zn5K8-10-4/AC demonstrated significantly higher activity, with a conversion rate of 99.3%, compared to ZnO/AC (18.4%) and K8-10-4/AC (2.4%) at 210 °C. Potassium addition enhanced the basicity and surface properties, facilitating ester bond cleavage and HCOO species formation. Zn5K8-10-16/AC also exhibited excellent stability over 100 hours, in contrast to the rapid deactivation observed with K8-10-16/AC. This study highlights the synergistic effect of zinc and potassium for improving catalytic performance and stability, offering insights for designing more efficient catalysts for MF decomposition and similar reactions.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114946"},"PeriodicalIF":3.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471645","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

Experimental and DFT studies of Ag and F doped Ti/Sn-SbOx/β-PbO2 anode electrocatalytic performance for copper electrowinning

IF 3.9 2区化学

Molecular Catalysis Pub Date : 2025-02-22 DOI: 10.1016/j.mcat.2025.114926

Liting Wei , Buming Chen , Yapeng He , Chao Gao , Hui Huang , Zhongcheng Guo , Ruidong Xu

{"title":"Experimental and DFT studies of Ag and F doped Ti/Sn-SbOx/β-PbO2 anode electrocatalytic performance for copper electrowinning","authors":"Liting Wei , Buming Chen , Yapeng He , Chao Gao , Hui Huang , Zhongcheng Guo , Ruidong Xu","doi":"10.1016/j.mcat.2025.114926","DOIUrl":"10.1016/j.mcat.2025.114926","url":null,"abstract":"<div><div>Titanium-based electrodes are widely utilized in metallurgy, the chemical industry and various industrial applications, However, there eletrodes face challenges, such as high oxygen precipitation potential and short service life. The electrochemical properties of electrode materials can be enhanced through doping, Ag and F doping is optimized to enhance the performance of titanium-based lead dioxide electrodes. In this study, Sn-SbO<sub>x</sub> was selected as the intermediate layer to improve adhesion, while Ag<sup>+</sup> and F<sup>-</sup> ions were doped to modify the lead dioxide active layer, thereby enhancing conductivity. We successfully synthesized the Ti/Sn-SbO<sub>x</sub>/β-PbO<sub>2</sub> anode, which exhibited lower overpotential, higher electrocatalytic activity, and improved stability compared to pure PbO<sub>2</sub> anode. The molecular mechanisms of dopant ions can be understood by investigating their atomic structures calculations based on density functional theory (DFT), including the electronic properties of the dopant model and free energy step diagram for oxygen precipitation reactions under acidic conditions. This work provides an effective and cost-effective strategy for improving precious metal utilization through the incorporation of nonmetals.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"576 ","pages":"Article 114926"},"PeriodicalIF":3.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471644","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