Journal of Catalysis最新文献

{"title":"Promoting electrocatalysts design combining general thermodynamic evaluation and specific kinetic study","authors":"Han Lu ,&nbsp;Jun Long ,&nbsp;Huan Li ,&nbsp;Hao Li ,&nbsp;Jianping Xiao","doi":"10.1016/j.jcat.2025.116175","DOIUrl":"10.1016/j.jcat.2025.116175","url":null,"abstract":"<div><div>Electrochemical synthesis of chemicals has attracted much research interest in recent years. The rational design of the electrocatalysts is of great importance in improving the reaction activity. To this end, the Reaction Phase Diagram (RPD), with a comprehensive consideration of all possible reaction mechanisms, has offered a valid tool for the thermodynamic evaluation of catalysts. However, facile thermodynamics is merely a prerequisite of high activity, not a sufficient condition. The kinetics should also be considered for further catalyst design, which can be achieved by the method of electric field controlling constant potential (EFC-CP) for electrochemical barrier calculation. In this perspective, we proposed an efficient strategy for electrocatalyst design via general thermodynamic evaluation and specific kinetic study based on the above methods. The application of this strategy in the development of electrocatalysts for NH₃ synthesis from NO was also introduced.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116175"},"PeriodicalIF":6.5,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143885361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interaction of hydrocarbons containing four hydrogen atoms with condensed phases: Classification of H/D exchange mechanisms and mechanism selection algorithm","authors":"Dmitriy M. Zakharov ,&nbsp;Maxim V. Ananyev","doi":"10.1016/j.jcat.2025.116173","DOIUrl":"10.1016/j.jcat.2025.116173","url":null,"abstract":"<div><div>The paper focuses on an analysis of the mechanisms of hydrogen interaction between gases containing 4 hydrogen atoms and a condensed phase in terms of H/D exchange. Based on the theory of five types of exchange, different cases of mechanisms are analysed according to the accepted values of probabilities of hydrogen isotope exchange between the gas and condensed phases. The analyses made it possible to classify the mechanisms into 3 groups: one-step, two-step, and multistep. Two-step and multistep groups contain two subgroups each. The paper shows that all groups of mechanisms are distinguishable experimentally. An algorithm for selecting the exchange mechanism is proposed. The implementation of the proposed algorithm is shown on a number of experimental data known in the literature. Hydrogen exchange mechanisms have been revised for the following systems: CH₄-H₂SO₄, CH₄-H₂-Ni and CH₄-H₂-Pt-Rh.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116173"},"PeriodicalIF":6.5,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143885363","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fluorination modulates the interaction of water with MgO catalysts during propylene glycol dehydrogenation","authors":"Song Tian ,&nbsp;Jian Lu ,&nbsp;Jimmy A. Faria Albanese","doi":"10.1016/j.jcat.2025.116167","DOIUrl":"10.1016/j.jcat.2025.116167","url":null,"abstract":"<div><div>The influence of water on catalytic reactions and catalysts is an unavoidable point of concern in biomass valorization. In this study, we develop a fluorine-modified magnesium oxide catalyst (MgO-F) and explored the role of fluorine in the dehydrogenation of propylene glycol to hydroxyacetone in the presence of water. MgO-F is a mixed phase of magnesium oxide, magnesium fluoride, and oxyfluoride structure, resulting in changes to its electronic properties and consequently to its acidity and alkalinity. Detailed kinetics suggested that fluorine accelerates the dehydrogenation reaction rate while increasing the selectivity to allyl alcohol and propanol in absence of water. Increasing water pressure lowers the apparent barriers but hardly alters the reaction order of propylene glycol on MgO-F catalyst. In contrast, the MgO catalyst exhibits lower reaction orders and increased activation barriers under similar conditions. Further kinetic isotope effect (KIE) studies showed that the water actively participates in the reaction on MgO catalyst, whereas on the MgO-F catalyst negligible effects were observed. This weaker interaction with water led to improved stability and reduced kinetic sensitivity towards water. These results demonstrate the ability of fluorine to tailor the interaction of water molecules with metal oxide surfaces, which ultimately modifies the activity, selectivity, and stability of the catalyst.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116167"},"PeriodicalIF":6.5,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143878036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-descriptors guided constructing the microenvironment of frustrated Lewis pair bi-active sites in functionalized MOFs toward Sabatier optimal for catalytic hydrogenation","authors":"Linmeng Wang ,&nbsp;Shihao Feng ,&nbsp;Hongyi Gao ,&nbsp;Yunfeng Lu ,&nbsp;Jingjing Wang ,&nbsp;Ge Wang","doi":"10.1016/j.jcat.2025.116165","DOIUrl":"10.1016/j.jcat.2025.116165","url":null,"abstract":"<div><div>Precise design and regulation of active site accessibility and chemical properties within metal–organic frameworks (MOFs) are crucial for enhancing catalytic performance, yet pose significant challenges. This study presents a design strategy for functionalized MOF-808 catalysts featuring frustrated Lewis pair (FLP) bi-active sites for catalytic hydrogenation. More specifically, we modulated the microenvironment of Lewis acid-base sites (LA-LB) by 4 categories of monocarboxylic acid ligands (i.e., the 6-substituted BR₂ piperidine-2-carboxylic acid (FLP1-R), 1-substituted BR₂ pyrazole-2-carboxylic acid (FLP2-R), 5-substituted BR₂ pyrrolidine-2-carboxylic acid (FLP3-R) and 6-substituted BR₂ pyridine-2-carboxylic acid (FLP4-R)) exchange, in which the LA coordinated the substituent group (−R) is −H, –OH, –NH₂, –CH₃, −Br, −Cl, −F, –NO₂, −CF₃, or –CN. Utilizing density functional theory (DFT), it elucidates the electronic-level regulation mechanisms affecting catalytic performance. We establish screening principles for 40 functionalized MOFs, revealing linear relationships between the geometric and electronic structures of the active moiety (neutral FLP-R) and both adsorption energy and Gibbs free energy barriers. Multi-descriptors, the dihedral angle between LA, LB and the critical points (c₁ and c₂) of electron localization function (ELF) upon dual active sites (φ_c1-LB-LA-c2), the distance of LA and LB (D_LA&amp;LB) and local chemical potential (μ_L) of FLP-R were firstly proposed to identify candidates favoring dissociative H₂ adsorption over chemisorbed dicyclopentadiene (DCPD), thereby mitigating bi-active site due to strongly bound. Furthermore, the intrinsic descriptor <span><math><mrow><msubsup><mrow><mo>|</mo><mi>ε</mi></mrow><mrow><mi>p</mi></mrow><mi>B</mi></msubsup><mrow><mo>|</mo><mo>+</mo><mo>|</mo></mrow><msubsup><mi>ε</mi><mrow><mi>p</mi></mrow><mi>N</mi></msubsup><mrow><mo>|</mo></mrow></mrow></math></span> derived by the p band center of B atom (LA) and N atom (LB) yield an inverted volcano-shaped curve, with FLP3-CH₃, FLP4-F, FLP4-CH₃, and FLP4-OH functionalized MOF-808 positioned at the optimal point, balancing H₂ dissociation and the hydrogenation of 8,9-dihydrodicyclopentadiene (8,9-DHDCPD). Our work bridges the inherent characteristics of catalysts and their catalytic activities through the development of multi-descriptors, paving the way for high-performance MOF design.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116165"},"PeriodicalIF":6.5,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultra-broad molecular weight distribution polyethylene produced by bis(imino)pyridyl cobalt catalysts","authors":"Heng Gao,&nbsp;Zonglin Qiu,&nbsp;Handou Zheng,&nbsp;Xieyi Xiao,&nbsp;Haotian Zhou,&nbsp;Chunyu Feng,&nbsp;Haiyang Gao","doi":"10.1016/j.jcat.2025.116166","DOIUrl":"10.1016/j.jcat.2025.116166","url":null,"abstract":"<div><div>As the largest amount of worldwide produced polymeric materials, the broad applicability requires polyethylene (PE) to possess good processability and mechanical properties through tailored molecular weight (MW) and molecular weight distribution (MWD). Direct synthesis of broad MWD PE with ultra-high molecular weight component is highly desirable and challenging. In this paper, a series of bis(imino)pyridyl cobalt complexes with substituted 8-(<em>p</em>-R-phenyl)naphthylamine (R = OMe, Me, H, CF₃) were designed and synthesized for ethylene polymerization. The intramolecular <em>π-π</em> interactions between the capping aryl groups and the pyridyl ring are clearly observed in bis(imino)pyridyl cobalt complexes, which are a crucial driving force for highly active ethylene polymerization. The existence of s<em>yn</em> and <em>anti</em> diastereomers of bis(imino)pyridyl cobalt complexes is also proved by single crystal X-ray diffraction analysis. The ultra-broad MWD PE (MWD &gt;100) with <em>M</em>_w from hundreds to ten million is produced, which is a cooperative result of <em>syn</em> and <em>anti</em> diastereomers of cobalt catalysts and two chain transfer pathways involving <em>β</em>-H transfer to the monomer and chain transfer to aluminum.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116166"},"PeriodicalIF":6.5,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interfacial charge transfer bridge on SrTiO3 crystal boosts solar water splitting","authors":"Xinyi Zhu,&nbsp;Lingling Ding,&nbsp;Ruixue Sun,&nbsp;Jinghan Li,&nbsp;Wenjie Li,&nbsp;Ruize Xu,&nbsp;Lijing Xiang,&nbsp;Fan Fang,&nbsp;Kun Chang","doi":"10.1016/j.jcat.2025.116160","DOIUrl":"10.1016/j.jcat.2025.116160","url":null,"abstract":"<div><div>SrTiO₃ particulate catalysts have demonstrated significant potential in solar water splitting, making them a cost-effective solution for green hydrogen generation. However, the exorbitant total cost associated with utilizing the<!--> <!-->ultra-precious metal Rh even at content as low as 0.1 wt% for hydrogen evolution necessitates the<!--> <!-->exploration of efficient and cost-effective alternatives. In this work, we developed Pt-Ni alloy hydrogen evolution cocatalysts to substitute for Rh. We deposited them with CrO_x passivation layers and CoOOH oxygen evolution cocatalysts onto the surface of the<!--> <!-->K-doped SrTiO₃ crystal for overall water splitting. Studies revealed that K⁺ can serve as an electron accumulation center during photoexcitation and the construction of an<!--> <!-->interfacial K-O-Pt bridge can effectively facilitate the charge transfer. After optimization, Pt₂Ni@CrO_x/K-SrTiO₃/CoOOH exhibits desirable photocatalytic overall water-splitting activity, with the apparent quantum yield (AQY) of 73.46 % (365 nm) and solar-to-hydrogen (STH) conversion efficiency of 0.54 %. This surpasses the catalytic activity of ultra-precious metal Rh and exceeds the catalytic activity of Pt-Ni alloys constructed in situ on Al-SrTiO₃ surfaces. This work would facilitate the development of efficient photocatalysts to produce hydrogen economically.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116160"},"PeriodicalIF":6.5,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic interfacial and radical strategy enables boosted near-neutral selective photoelectrochemical alcohol oxidation","authors":"Ying Wang ,&nbsp;Deyu Liu ,&nbsp;Weilong Qin ,&nbsp;Yongbo Kuang","doi":"10.1016/j.jcat.2025.116161","DOIUrl":"10.1016/j.jcat.2025.116161","url":null,"abstract":"<div><div>Photoelectrochemical (PEC) systems hold great potential for producing value-added chemicals through the selective oxidation of alcohols in an environmentally friendly manner. However, previous efforts have been hindered by low quantum efficiency, poor selectivity and instability of the photoanodes. To address these issues, we demonstrate the oxidation of benzyl alcohol (BA) into benzaldehyde (BAD) with state-of-the-art efficiency and selectivity using CdS photoanodes incorporated with gold nanoparticles as catalytic sites and sulfites which allow the photoanode to operate through a radical process in near-neutral conditions. This synergistic approach allows the typically vulnerable CdS-based photoanode to maintain PEC Faradaic efficiencies exceeding 95 % for BAD production over 20 h with &gt;99 % selectivity (at pH 9 and 0.6 V versus RHE). The Au-SO₃²⁻ adduct, formed by the strong adsorption of sulfite replacing traditional oxygen/hydroxyl species on the CdS surface, actively catalyzes the selective oxidation of BA. This novel PEC pathway offers a sustainable approach for organic molecule conversion and provides a model for designing efficient PEC processes for solar energy utilization.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116161"},"PeriodicalIF":6.5,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Photo/thermo bi-cube mechanism of proton-coupled electron transfer reaction catalyzed by plant light-dependent protochlorophyllide oxidoreductase","authors":"Ruiyuan Liu ,&nbsp;Jixian Shang ,&nbsp;Zepu Gao ,&nbsp;Jing Miao ,&nbsp;Yiyi Tian ,&nbsp;Xiao Hu ,&nbsp;Huizhe Lu","doi":"10.1016/j.jcat.2025.116158","DOIUrl":"10.1016/j.jcat.2025.116158","url":null,"abstract":"<div><div>Light-dependent protochlorophyllide oxidoreductase (LPOR), one of the few natural light-dependent enzymes relies on the cofactor NADPH to catalyze the conversion of protochlorophyllide to chlorophyllide during chlorophyll biosynthesis. However, acquiring the specific details of LPOR photocatalysis mechanism is challenging, as the intermediate species are generally complex and the chemical steps of interest are often kinetically obscure. Herein, the photochemistry associated with the comprehensive mechanism of C17<img>C18 bond photoreduction inside LPOR was investigated using all-atom molecular dynamics simulations and electronic structure calculations in conjunction with vibronically nonadiabatic proton-coupled electron transfer (PCET) theory. The calculated electronic excitation spectrum and potential energy surfaces demonstrated that the finely modulated optical gap in the LPOR active center facilitates hole-electron separation and intersystem crossing to access the triplet states, which promotes effective photoredox catalysis by LPOR. The electrostatic coupling nature of the charge transfer reactions was revealed by determining the reaction energy paths related to the active site configuration prior to and after the transfer. The entire reaction was ultimately described as hydrogen atom transfer and subsequent stepwise electron and proton transfer process. This work provides a new perspective on the photocatalysis PCET in enzymatic environment with biochemistry relevance.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116158"},"PeriodicalIF":6.5,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"TBD-grafted activated carbon as an efficient solid base catalyst for continuous Knoevenagel reaction","authors":"Yi Chen ,&nbsp;Xueqing Ma ,&nbsp;Chenghao Zhang ,&nbsp;Bingqi Xie ,&nbsp;Wangyang Ma ,&nbsp;Jisong Zhang","doi":"10.1016/j.jcat.2025.116156","DOIUrl":"10.1016/j.jcat.2025.116156","url":null,"abstract":"<div><div>The development of a highly efficient and stable metal-free solid base catalyst for the Knoevenagel reaction remains a significant challenge. In this study, activated carbon is selected as support material to develop a new base catalyst due to its excellent chemical stability. A novel surface chloromethylation method is applied to modify the activated carbon surface, followed by covalent grafting of 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD), resulting in a highly effective solid organic base catalyst. A continuous platform based on a micro-packed bed reactor has been optimized for the Knoevenagel reaction. The system achieves excellent space-time yields (19129.4 <span><math><mrow><msub><mi>g</mi><mrow><mi>P</mi><mi>r</mi><mi>o</mi><mspace></mspace></mrow></msub><msubsup><mrow><mi>k</mi><mi>g</mi></mrow><mrow><mi>c</mi><mi>a</mi><mi>t</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msubsup><mspace></mspace><msup><mrow><mi>h</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>) and demonstrates a broad substrate scope. The solid organic base catalyst exhibits a turnover frequency (<em>TOF</em>) exceeding 140 <span><math><mrow><msup><mrow><mi>h</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>, surpassing the performance of similar nitrogen-based catalysts reported in literature (7.6–68.0 <span><math><mrow><msup><mrow><mi>h</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>). Moreover, the catalyst shows no signs of deactivation after more than 23 h of continuous operation with a turnover number (<em>TON</em>) exceeding 115, indicating comparable performance reported in literature (29.7–297.2). Catalyst deactivation is primarily attributed to the adsorption of raw materials and products onto the base sites, leading to a gradual loss of catalytic activity.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116156"},"PeriodicalIF":6.5,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862711","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of zeolite framework on the NO operating cycle in Pd-based passive NOx adsorbers","authors":"Marvi Kaushik ,&nbsp;Tuhin S. Khan ,&nbsp;M. Ali Haider ,&nbsp;Divesh Bhatia","doi":"10.1016/j.jcat.2025.116149","DOIUrl":"10.1016/j.jcat.2025.116149","url":null,"abstract":"<div><div>Density Functional Theory (DFT) simulations are performed to understand the impact of zeolite framework on the operating cycle of NO adsorption and desorption in Pd-based passive NO_x adsorbers. The binding energy on all sites exhibits the trend: BEA &gt; ZSM-5 &gt; CHA, which is consistent with reported trends in the NO_x desorption temperatures. Independent of the zeolite framework, NO binds strongly on Pd¹⁺ site, whereas its binding on Pd(II) sites (Pd²⁺, [PdOH]⁺, dimeric Pd) is considerably weaker. However, the binding strength on Pd¹⁺ and Pd²⁺ sites is similar in ZSM-5 and BEA. The free energy of activation for the reduction of Pd(II) species by NO is dependent on the zeolite framework. NO oxidation on [Pd-O-Pd]²⁺ has a low free energy barrier in ZSM-5 (29 kJ/mol) but exhibits the highest reaction barrier in CHA (77 kJ/mol). Further, the reoxidation of Pd¹⁺ to [Pd-O-Pd]²⁺ is facile in Ferrierite (FER) but has a high free energy barrier in Chabazite (CHA). A kinetic model is developed for Pd/CHA and Pd/BEA which predicts a single desorption peak for CHA and two desorption peaks for BEA. The site-specific NO binding energy trends and the energetics of interconversion between sites result in differences in the NO_x adsorption-desorption characteristics on different zeolite frameworks. The presence of H₂O decreases the NO binding strength on all Pd sites except Pd²⁺ in FER and [PdOH]⁺ in CHA. CO preferentially reduces the Pd(II) species when both CO and NO are co-adsorbed on [PdOH]⁺[PdOH]⁺ with BEA exhibiting the lowest barrier.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"448 ","pages":"Article 116149"},"PeriodicalIF":6.5,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}