Molecular Catalysis最新文献

{"title":"Selection of activated carbon as a support in the preparation of facile highly active catalysts for hydrogen generation from formic acid","authors":"Nobuko Tsumori ,&nbsp;Takeshi Toshima ,&nbsp;Yukiko Shinozaki ,&nbsp;Saori Takamatsu ,&nbsp;Tomohiro Fukuda","doi":"10.1016/j.mcat.2026.115717","DOIUrl":"10.1016/j.mcat.2026.115717","url":null,"abstract":"<div><div>The catalytic activity of palladium nanoparticle (PdNPs) catalysts prepared using commonly known supports such as zeolite, MCM-41, graphene, and activated carbon was investigated for hydrogen generation from formic acid. As the result, the PdNPs supported activated carbon catalyst showed extremely high activity. To further investigate its function as a support, PdNPs supported catalysts using various activated carbons were prepared and their characterization, activities, and durability in hydrogen generation from formic acid were investigated in detail. Among them, the catalyst using activated carbon derived from coconut shell as a support showed the highest activity. The pores, surface area and three dimensional structure of activated carbon promote high dispersion of PdNPs and improve catalytic efficiency. It was also suggested that acidic functional groups have a positive effect on catalytic activity. Furthermore, the results of metal surface area and average Pd particle size using the CO pulse method showed a positive linear correlation between metal surface area and turnover frequency (TOF). It was found that PdNPs with metal surface area greater than 7.5 m²·g⁻¹ and average Pd particle size &lt;3.5 nm showed high activity. XPS measurement suggested that electron transfer occurred from PdNPs to supported carbon in the catalyst. Thus, PdNPs catalysts using activated carbon are promising catalyst supports for future industrial applications due to their high activity and excellent durability.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115717"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975556","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}

{"title":"Z-Scheme MoSi₂N₄/GaO van der waals heterostructure for efficient photocatalytic water splitting","authors":"Tao Li ,&nbsp;Zhenwu Jin ,&nbsp;Yi Xu ,&nbsp;Jiahua Zou ,&nbsp;Ling-Ling Wang ,&nbsp;Liang Xu","doi":"10.1016/j.mcat.2026.115718","DOIUrl":"10.1016/j.mcat.2026.115718","url":null,"abstract":"<div><div>Photocatalytic water splitting is a promising approach for clean H₂ production, yet current materials often suffer from inefficient charge separation and narrow light absorption. Herein, we systematically investigate the photocatalytic performance of a Z-scheme MoSi₂N₄/GaO van der Waals heterostructure via first-principles calculations. The results reveal that the heterostructure exhibits an ideal Z-scheme band alignment, enabling spatial separation of photogenerated electrons (in MoSi₂N₄) and holes (in GaO). Charge density difference and electrostatic potential analyses confirm an internal electric field directing electron transfer from MoSi₂N₄ to GaO, enhancing interfacial charge transport. Free energy calculations demonstrate low overpotentials for both hydrogen evolution (HER, 0.43 eV) and oxygen evolution reactions (OER), indicating excellent catalytic activity. Notably, the heterostructure shows strong visible-to-near-infrared light absorption and achieves a high solar-to-hydrogen (STH) efficiency of 27.03%, surpassing the 10% threshold for practical applications. These findings highlight the MoSi₂N₄/GaO heterostructure as a promising photocatalyst for efficient solar-driven water splitting.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115718"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035838","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}

{"title":"Construction of microsphere-nanoflower structured ZnSe/ZnIn2S4 heterojunction for enhanced photocatalytic hydrogen evolution and mechanistic study","authors":"Ming Su ,&nbsp;Xiaoli Ma ,&nbsp;Jian Ma ,&nbsp;Zhiliang Jin","doi":"10.1016/j.mcat.2026.115719","DOIUrl":"10.1016/j.mcat.2026.115719","url":null,"abstract":"<div><div>A ZnSe/ZnIn₂S₄ composite heterojunction was constructed, and its structure, optoelectronic properties, and hydrogen evolution mechanism were systematically investigated. The synergistic interaction significantly enhances light absorption and charge separation. The ZZ-50 sample achieves a high hydrogen evolution rate of 1174.97 μmol∙g^-1∙h^-1 with excellent stability. XPS and electrochemical analyses reveal electron transfer from ZnSe to ZnIn₂S₄, forming a built-in electric field that suppresses recombination. DFT calculations confirm suitable bandgap alignment. Combined experimental and theoretical results elucidate the mechanism of directional electron migration, thereby enhancing photocatalytic performance. This study provides new insights for designing efficient visible-light-responsive materials.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115719"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975558","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}

{"title":"Highly selective hydrodeoxygenation of lignin and its derivatives to cyclohexanols over N-doped nickel catalyst without external hydrogen","authors":"Meiyan Shi ,&nbsp;Qibin Zeng ,&nbsp;Ting Pan ,&nbsp;Yuancai Lv ,&nbsp;Yifan Liu ,&nbsp;Minghua Liu","doi":"10.1016/j.mcat.2026.115742","DOIUrl":"10.1016/j.mcat.2026.115742","url":null,"abstract":"<div><div>Transforming lignin into cyclohexanol through catalytic processes is crucial for the development of next-generation biofuels. Nevertheless, realizing highly selective hydrogenation-deoxygenation depolymerization under mild reaction conditions continues to pose a considerable challenge. Herein, a nitrogen-doped carbon-supported nickel catalyst (Ni@NC) was developed and successfully applied to the depolymerization of lignin. Characterization results revealed that the catalyst possesses a rich porous structure and moderate metal–support interactions, contributing to its remarkable catalytic performance. Under mild conditions (200 °C, without external hydrogen and pressure), Ni@NC-600 achieved 100% conversion of the model compound PPE with a 99.5% yield of cyclohexanol. At 250 °C, it also enabled 98.7% depolymerization of lignin within 5 h, yielding 21.36 wt% of naphthenes and their derivatives. Theoretical calculations further confirmed that nitrogen doping facilitates electron transfer between the support and nickel nanoparticles. The reconfigured electronic environment significantly enhanced the catalyst's adsorption capacity for phenolic compounds, thereby improving its hydrogenation performance. This work not only provides a viable pathway for the high-value conversion of lignin but also offers an innovative strategy for electronic structure design in catalyst development.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115742"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074342","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}

{"title":"Spatially decoupled Cu/SiO2|CoMn catalyst enhances syngas conversion to higher oxygenates","authors":"Su Li ,&nbsp;Bin Chai ,&nbsp;Lei Guo ,&nbsp;Yingjun Wang ,&nbsp;Kegong Fang","doi":"10.1016/j.mcat.2026.115745","DOIUrl":"10.1016/j.mcat.2026.115745","url":null,"abstract":"<div><div>Direct conversion of syngas to higher oxygenates remains a considerable challenge due to the complicated reaction network. Here, we develop a spatially decoupled Cu/SiO₂|CoMn (granule-stacked) multifunctional catalyst with superior catalytic performance, exhibiting 50.5% oxygenates selectivity (C₂₊OH/ROH=95.2%) with low C₁ byproducts formation (10.1% CO₂ and 4.5% CH₄) at 13.2% CO conversion. The spatially decoupled configuration synergistically integrates the distinct active sites between the Cu/SiO₂ and CoMn components by precisely optimizing the proximity and mass ratios, thereby steering the reaction network with high efficiency. Based on spectroscopic results, the synergistic mechanism reveals that the intrinsic role of Cu⁰ sites is responsible for generating CH_xO* species, which then migrate to the Co⁰-Co₂C interfaces, couple with CH_x* species, and thereby boost the oxygenates formation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115745"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035892","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}

{"title":"A semi-crystalline CoOx/CF-P tandem catalyst for the highly efficient reduction of nitrate to ammonia","authors":"Xin Zeng ,&nbsp;Qiling Duan ,&nbsp;Zhenxing Li ,&nbsp;Xinyu Tan ,&nbsp;Moyu Liao ,&nbsp;Zhongxu Dai","doi":"10.1016/j.mcat.2026.115731","DOIUrl":"10.1016/j.mcat.2026.115731","url":null,"abstract":"<div><div>In this study, we designed and constructed a cobalt-based oxide catalyst (CoO_x) grown in situ on porous copper foam (CF-P). By modulating the phase composition of CoO_x and the electronic structure of the CF-P support, efficient conversion of NO₃^- and selective formation of NH₃ were achieved. The CF-P support not only provides a stable loading substrate and efficient electron transport pathways for the semi-crystalline CoO_x active phase, but its porous surface structure also enhances nitrate adsorption, facilitating the deoxygenation step to form nitrite intermediates. The mixed-valence states (Co²⁺/Co³⁺) and oxygen vacancy defects in CoO_x form a partially crystalline Co phase that promotes the generation and transfer of active hydrogen (H*), thereby efficiently facilitating the hydrogenation of nitrite-the rate-determining step. Through tandem catalysis between the two phases, highly efficient nitrate reduction is realized. Under optimal electrolysis conditions, the CoO_x/CF-P catalyst achieves a Faradaic efficiency of 92.98 % for NH₃ with a production rate of 12.73 mg·h^-1·cm^-2. Moreover, after 10 hours of continuous operation, no significant decay in catalytic activity or selectivity was observed, demonstrating excellent stability. This performance is attributed to the synergistic tandem mechanism between dual active sites and the presence of oxygen vacancy defects. This work provides new insights into the design of highly efficient NO₃RR catalysts and establishes a material foundation for low-cost, scalable electrocatalytic ammonia production.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115731"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035839","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}

{"title":"Breaking the energy bottleneck in amine regeneration: Fe-HZSM-5 catalysts with tunable acid sites for high-performance CO₂ desorption","authors":"Bin Wang ,&nbsp;Weigao Han ,&nbsp;Fang Dong ,&nbsp;Hua Feng ,&nbsp;Zhicheng Tang","doi":"10.1016/j.mcat.2026.115736","DOIUrl":"10.1016/j.mcat.2026.115736","url":null,"abstract":"<div><div>The substantial energy consumption required for rich amine solution regeneration significantly constrains its industrial application. The development of solid acid catalysts has become a key approach to addressing this issue. Herein, different types and loadings of metal-modified HZSM-5 catalysts by ultrasound-assisted impregnation were prepared to optimize the catalytic performance for CO₂ desorption from monoethanolamine (MEA) solution. The characterization showed that different types of metal ions had a significant influence on the morphology of catalysts and the metal modification successfully regulated the distribution of acid sites. The result showed that Fe-HZSM-1/6 achieved the best performance. The maximum desorption rate could reach 29.17 mmol·min^-1·L^-1 (161 % higher than the blank), the total amount of desorbed CO₂ increased by 38%, and the relative heat duty decreased by 27%. The Py-IR and NH₃-TPD analysis indicated that the Fe-HZSM-1/6 catalyst provides abundant Brønsted acid centers and Lewis acid centers, which can synergistically promote proton transfer and the decomposition of carbamates. This catalyst still maintains 84 % of its activity after 5 cycles. This work highlights the key role of acidic site regulation in amine regeneration and provides a rational design strategy for low-energy consumption catalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115736"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035890","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}

{"title":"Precise elucidation of the structure-activity relationship between anatase TiO2 facets and surface active sites of V2O5-WO3/TiO2 catalysts for the NH3-selective catalytic reduction of NO","authors":"Jianyou Liang ,&nbsp;Ling Yang ,&nbsp;Bolian Xu ,&nbsp;Haiqin Wan ,&nbsp;Yubing Liu ,&nbsp;Lei Yu ,&nbsp;Yining Fan","doi":"10.1016/j.mcat.2026.115746","DOIUrl":"10.1016/j.mcat.2026.115746","url":null,"abstract":"<div><div>A series of V₂O₅-WO₃/TiO₂ catalysts were synthesized using anatase TiO₂ supports predominantly exposing the {001}, {101} and {111} facets. Their performance in the selective catalytic reduction (SCR) of NO_x was evaluated, revealing that WO₃ acts as an effective promoter, enhancing the catalytic activity across all catalysts. However, the promotional mechanism was found to be strongly dependent on the exposed facet of the TiO₂ supports. The SCR activity followed the order: V₂O₅-WO₃/TiO₂-NS{001} &gt; V₂O₅-WO₃/TiO₂-NP{101} &gt; V₂O₅-WO₃/TiO₂-NL{111}. Characterization of surface acidity and redox properties indicated that the introduction of WO₃ increased the amount of weak B acid sites, thereby contributing to the enhanced SCR performance. Combining experimental and theoretical analyses revealed that the exposed facet of the TiO₂ support modulates the acidic strength of surface W⁶⁺ ions. Specifically, W⁶⁺ ions dispersed within the octahedral vacancies of the TiO₂-NS{001} surface exhibited the lowest Bader positive charge, corresponding to the weakest surface acidity. This accounts for the superior SCR performance of the V₂O₅-WO₃/TiO₂-NS{001} catalyst. This study elucidates the intrinsic relationship between the preferentially exposed facets of anatase TiO₂ supports and the surface acidity of W⁶⁺ ions in V₂O₅-WO₃/TiO₂ catalysts, providing a critical theoretical foundation and practical guidance for the rational design and optimization of high-efficiency SCR catalysts for NO_x abatement.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115746"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035836","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}

{"title":"Valorization of shell waste-derived chitin into organonitrogen chemical 3-acetamido-5-acetylfuran with a new homogeneous tandem catalytic system","authors":"Changchun Wu ,&nbsp;Yulong Chang ,&nbsp;Xingxing Zhang,&nbsp;Xiangling Zhu,&nbsp;Qian Yang,&nbsp;Shuqian Xue,&nbsp;Antong Li,&nbsp;Hongjun Zang","doi":"10.1016/j.mcat.2026.115708","DOIUrl":"10.1016/j.mcat.2026.115708","url":null,"abstract":"<div><div>The production of fine chemicals is increasingly shifting towards sustainability, emphasizingrenewable feedstocks and green processes. Among various bioresources, chitin has emerged as a promising renewable feedstock for the preparation of organonitrogen chemicals independent of the Haber-Bosch process. However, efficient conversion of chitin into the nitrogenous platform chemical 3-acetamido-5-acetylfuran (3A5AF) using heterogeneous catalytic system has been hindered by harsh reaction conditions, environmentally unfriendly processes, and lower catalytic efficiencies. Herein, we present a new chitin dissolution/homogeneous tandem catalysis strategy for the efficient one-step transformation of chitin to 3A5AF for the first time. As a result, an efficient, scalable, and homogeneous tandem catalytic system using the metal-based DES AlCl₃–2ChCl was established, achieving yields of 80.8% from monomer N-acetyl-<span>d</span>-glucosamine (NAG) and 33.4% from chitin, respectively. Notably, this homogeneous tandem catalytic system demonstrated scalability on a 2 g (9.0 mmol) scale of NAG, affording 3A5AF in 59.4% isolated yield. Furthermore, a shell biorefinery process for the direct production of 3A5AF from shrimp shell waste was successfully achieved. Our results reveal that the dissolution-homogeneous tandem catalysis effect is critical for enhancing product yields and minimizing side reactions. Moreover, the relationship between chitin structure and 3A5AF yield is thoroughly elaborated, demonstrating that both the solubility and degree of deacetylation of chitin determine the production of 3A5AF. This homogeneous tandem system holds practical application potential for the production of 3A5AF and provides new insights into shell biorefinery for the efficient synthesis of organonitrogen chemicals.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115708"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074318","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}

{"title":"Exploring the influence of acid etching on the active sites of Pd/Al2O3 catalyst for toluene combustion: Regulation of defects","authors":"Teng Liu ,&nbsp;Junwei Xu ,&nbsp;Yi Pei ,&nbsp;Junhua Cao ,&nbsp;Xianglan Xu ,&nbsp;Xiuzhong Fang ,&nbsp;Jiating Shen ,&nbsp;Xiang Wang","doi":"10.1016/j.mcat.2026.115744","DOIUrl":"10.1016/j.mcat.2026.115744","url":null,"abstract":"<div><div>Pd/Al₂O₃-A_x catalysts were synthesized by etching the γ-Al₂O₃ support with nitric acid and subsequently loading Pd onto it. This series of catalysts was employed for toluene combustion. As the degree of acid etching increased, the performance of the catalysts improved. NH₃-TPD and <em>in situ</em> DRIFTS of NH₃ adsorption results indicated that acid etching increased the concentration of Lewis acid sites, thereby enhancing the adsorption and activation of toluene molecules. Meanwhile, FTIR, H₂-TPR, and EPR results suggested that acid etching introduced vacancies on the catalyst surface, while O₂-TPD and ¹⁸O₂-TPSR-MS results confirmed the enhanced oxygen activation ability of the catalyst. The synergistic effects of these factors improved the catalytic toluene combustion performance.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115744"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074343","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}