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Carbon dioxide hydrogenation to formate catalyzed by highly active Ru-tris(pyrazolyl)methane complexes J. Catal. (IF 6.5) Pub Date : 2025-05-21 Sylwia Kostera, Alberto Gobbo, Massimo Guelfi, Stefano Zacchini, Gabriele Manca, Fabio Marchetti, Luca Gonsalvi
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Catalytic and modulation excitation visible-NIR spectroscopic insights into the consequences of K promotion and pretreatment on Cu/SiO2 for direct propylene epoxidation J. Catal. (IF 6.5) Pub Date : 2025-05-21 Hashim A. Alzahrani, Hongda Zhu, Juan J. Bravo-Suárez
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Surface modification of SiO2 support with N-containing polymer for enantioselective hydrogenation over Pt catalyst J. Catal. (IF 6.5) Pub Date : 2025-05-21 Minji Yun, Jeongmyeong Kim, Byeongju Song, Hyunjun Jeong, Dongmin Lee, Christopher W. Jones, Yongju Yun
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The terphenyl phosphine TXPhos: A highly efficient and general supporting ligand for palladium-catalyzed C-N cross-coupling of aryl chlorides with diaryl amines as well J. Catal. (IF 6.5) Pub Date : 2025-05-21 Fabin Zhou, Lixue Zhang, Guoyu Cheng, He Yang, Bingxin Yuan, Wenjun Tang, Ji-cheng Shi
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Application of electric fields in the selective conversion of small alkane on IrO2(1 1 0) surface: DFT and microkinetic simulation study J. Catal. (IF 6.5) Pub Date : 2025-05-21
The selective conversion of small alkanes, such as methane and ethane, into value-added products is essential for various industrial applications. How…
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Crystal phase dependent electronic metal-support interactions tune the Ru/ZrO2 interfacial sites for enhancing direct deoxygenation of m-cresol J. Catal. (IF 6.5) Pub Date : 2025-05-20 Yuxin Shang, Hu Ding, Zihao Liu, Ruoyu Zhang, Qingfeng Ge, Xinli Zhu
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Cobalt-catalyzed transfer hydrogenation of nitroarenes to arylhydroxylamines with NH3BH3: Scope and mechanism J. Catal. (IF 6.5) Pub Date : 2025-05-20 Dawei Gong, Yanlin Zhang, Qixuan Li, Yufei Li, Linan Xing, Lina Zhao, Degong Kong
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Size dependence over Cu-based catalysts for semi-hydrogenation of symmetric-structured molecules J. Catal. (IF 6.5) Pub Date : 2025-05-20 Tiantian Xiao, Zhibo Yang, Huiqing Wu, Maoshuai Li, Jing Lv, Shouying Huang, Yue Wang, Xinbin Ma
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The importance of gas purity in catalytic ammonia synthesis J. Catal. (IF 6.5) Pub Date : 2025-05-20 Simon I. Hansen, Benjamin H. Sjølin, Ivano E. Castelli, Tejs Vegge, Anker D. Jensen, Jakob M. Christensen
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Boosting photocatalytic performance via divergent electron injection processes: Revealed by operando high-pressure transient absorption spectroscopy J. Catal. (IF 6.5) Pub Date : 2025-05-19 Tianfang Zheng, Tongge Xu, Liwei Jiang, Guanxing Li, Peng Wang, Lingyun Pan, Aijun Li, Shin-ichi Sasaki, Xiao-Feng Wang
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Ni catalyst on nanocrystal ZSM-22 boosting the deoxygenation-hydroisomerization of fatty acid to long-chain iso-alkanes with remarkable isomerization selectivity J. Catal. (IF 6.5) Pub Date : 2025-05-19 Zitong Yan, Lei Zhang, Yingjie Shao, Zhihao Shu, Pengcheng Huang, Wenqian Fu, Tiandi Tang
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Mechanistic pathways in the photocatalytic CO2 reduction on halide double perovskite Cs2NaBiX6 (X = Cl/Br/I) J. Catal. (IF 6.5) Pub Date : 2025-05-19 Gaoyin Wang, Jinfu Wu, Ken Deng, Qin Ding, Weijie Chi, Yue Tian, Ping-Ping Sun
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Inorganic acid-catalyzed hydrogen peroxide-acetic acid pretreatment for selective delignification of poplar J. Catal. (IF 6.5) Pub Date : 2025-05-19 Peiyao Wen, Hong Liao, Xianzhi Meng, Yunqiao Pu, Junhua Zhang, Arthur J. Ragauskas, Zhangjing Chen
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Enhanced selectivity for C2 products in electrocatalytic CO2 reduction reaction over Mg(OH)2-modified Cu2O(1 1 1) catalyst J. Catal. (IF 6.5) Pub Date : 2025-05-15 Yonghui Cheng, Yingshi Su, Jiaying Zhang, Yue Chen, Zijian Peng, Sirui Deng, Junjie Huang, Huihui Jiang, Caili Yang, Yanjia Cui, Yibing Song, Zhen Li, Gongwei Wang, Lin Zhuang
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Heteroleptic heterometallic N-bridged porphyrinoids: The effects of macrocycle and metal on oxidation reaction J. Catal. (IF 6.5) Pub Date : 2025-05-16 Çiğdem Yüceel, Zeynel Şahin, Dilara Berna Yildiz, Yavuz Dede, Fabienne Dumoulin, Ümit İşci
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Exploring the performance of dual-atom Pd2 catalysts for benzene hydrogenation and cyclohexane dehydrogenation: A DFT and microkinetic modeling study J. Catal. (IF 6.5) Pub Date : 2025-05-15 Bunrat Tharat, Cheng-Te Tsai, Suwit Suthirakun, Cheng-chau Chiu
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Shape-selective zeolite catalysis for the tandem reaction of aromatic alcohol dehydration isomerization to internal alkene J. Catal. (IF 6.5) Pub Date : 2025-05-14 Fengting Hao, Zhaochun Liu, Pengcheng Huang, Wenqian Fu, Jie Ren, Lu Fan, Wei Chen, Tiandi Tang
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Size-dependent effects of Ge addition on the coking and sintering tendency of PtnGem/alumina (n = 4,7,11) model catalysts J. Catal. (IF 6.5) Pub Date : 2025-05-14 Guangjing Li, Shawn Chiu, Harry W.T. Morgan, Autumn T. Fuchs, Avital Isakov, Patricia Poths, Zisheng Zhang, Anastassia N. Alexandrova, Scott L. Anderson
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Electrochemical synthesis of biomass-derived aromatic N-heterocycles by using Ni-based hierarchical nanosheets catalysts J. Catal. (IF 6.5) Pub Date : 2025-05-14 Zhouyi Quan, Wanling Xu, Jinzhu Chen
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Synthesis of a heterogeneous 2D COF-based Fenton catalyst for epoxidation of olefins J. Catal. (IF 6.5) Pub Date : 2025-05-13 Tianyu Gao, Weixiao Sun, Haiyong Wang, Jing Zhang, Zhen Yan, Martine Trentesaux, Maya Marinova, Chenguang Wang, Vitaly Ordomsky, Sébastien Paul
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Modest modulation on the spin states of Co3O4 nanoframe through vanadium doping for solid-state rechargeable Zn-air/iodide hybrid batteries J. Catal. (IF 6.5) Pub Date : 2025-05-12 Yanli Niu, Wenze Zhang, Mingyang Xu, Xiaozhen Li, Linpo Li
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Constructing well-distributed cerium oxide nanoparticles on alumina-carbon nanosheet for boosting the synthesis of imine from benzyl alcohol and aniline J. Catal. (IF 6.5) Pub Date : 2025-05-12 Yan Hao, Zheng Gao, Linlin Du, Yifan Wang, Moxin Miao, Yang Zhang, Qiang Sun, Qinghu Tang
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Manganese-promoted Ni/Al2O3 catalysts for effective CO2 methanation J. Catal. (IF 6.5) Pub Date : 2025-05-12 Wenhao Zhang, Liang shen, Longhao Xu, Fayang Zhou, Fengyin Sun, Jing Xu, Minghui Zhu
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Elucidating the role of solvent in C=C bond hydrogenation of maleic acid at metal-solvent interface by AIMD and DFT simulations J. Catal. (IF 6.5) Pub Date : 2025-05-12 Aashi D. Parekh, Pallavi Dandekar, Uzma Anjum, Shelaka Gupta
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Ruthenium/N–Heterocyclic carbene-decorated covalent organic framework for N–H insertion cascade nucleophilic cyclization J. Catal. (IF 6.5) Pub Date : 2025-05-12 Xiaogang Wang, Fangfang Fan, Mengmeng Hu, Chengfang Qiao, Baoyue Cao, Xue Gong, Michal Szostak
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Highly dispersed Cu supported on urchin-like TiO2 for efficient hydrodeoxygenation of lignin derivatives J. Catal. (IF 6.5) Pub Date : 2025-05-12 Lei Chen, Chenhuan Wang, Ningzhao Shang, Shutao Gao, Chun Wang
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Unveiling high-performance single-atom alloy catalysts for alkane dehydrogenation through DFT and machine learning synergy J. Catal. (IF 6.5) Pub Date : 2025-05-12 Haisong Feng, Zhen Ge, Yuan Deng, Pengxin Pu, Shiquan Zhao, Xin Song, Hao Yuan, Yaze Wu, Jing Yang, Yubing Si, Antonio Politano, Xin Zhang, Yong-Wei Zhang
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Large-scale, continuous preparation of MnO2 for highly efficient oxidative coupling of amines to imines under mild conditions J. Catal. (IF 6.5) Pub Date : 2025-05-10 Jia-qi Bai, Huangfei Liu, Mei Ma, Zhangkai Qian, Durui Liu, Mengdie Cai, Jingshuai Chen, Lisheng Guo, Yuxue Wei, Fang Chen, Song Sun
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Predicting a generalized mechanism of branched alkane hydrogenolysis on Ru, Ir, and Pt surfaces relevant to polymer upcycling applications J. Catal. (IF 6.5) Pub Date : 2025-05-08 Andy Simonson, Lydia Thies, David Hibbitts
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Influence of alkali and chloride promoters on silver catalysts in ethylene epoxidation J. Catal. (IF 6.5) Pub Date : 2025-05-08 Claudia J. Keijzer, Naud M.T. van de Ven, Remco Dalebout, Tracy L. Lohr, John R. Lockemeyer, Peter van den Brink, Petra E. de Jongh
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HOF-to-MOF transformation strategy for Porphyrin-based MOF photocatalysts J. Catal. (IF 6.5) Pub Date : 2025-05-09 Mengting Wu, Zhipeng Xie, Jiaxu Qi, Jie Hu, Lele Wang, Weikang Wang, Qinqin Liu, Yazhou Zhou, Jimmy C. Yu
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Promoting activation of N2 and H2O via dual active sites synergistically for efficient photocatalytic ammonia synthesis J. Catal. (IF 6.5) Pub Date : 2025-05-09 Hao Du, Huimin Li, Zufan Yang, Shengjie Xia, Jing Chen, Yue Meng, Litong Bian, Geng Yang, Guanhua Zhang
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Radical-mediated Cα-Cβ cleavage by ZnIn2S4-based heterojunction materials in photo-electro-catalysis J. Catal. (IF 6.5) Pub Date : 2025-05-08 Jifang Zhang, Chengcheng Suo, Xinchi Hao, Xingyu Zhu, Yiheng Zhuang, Cunyuan Hu, Wei Li, Sha Luo, Bing Tian, Chunhui Ma, Shouxin Liu
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Application of machine learning interatomic potentials in heterogeneous catalysis J. Catal. (IF 6.5) Pub Date : 2025-05-08 Gbolagade Olajide, Khagendra Baral, Sophia Ezendu, Ademola Soyemi, Tibor Szilvási
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Role of oxygen vacancies employing GaxZr1-xO2-y / ZrO2 in isobutene generation from ethanol J. Catal. (IF 6.5) Pub Date : 2025-05-08 Mariana G.S. Pinheiro, Luciano H. Chagas, Eugenio F. Souza, Guilherme G. Gonzalez, Priscila C. Zonetti, Odivaldo C. Alves, Liane M. Rossi, Omar Ginoble Pandoli, Roberto R. de Avillez, Luiz E.P. Borges, Lucia G. Appel
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Elucidating the role of potassium in methane steam reforming using first-principles-based kinetic Monte Carlo simulations J. Catal. (IF 6.5) Pub Date : 2025-05-07 Sai Sharath Yadavalli, Glenn Jones, Carlos Fonte, Michail Stamatakis
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Study of the surface species of CePr-supported Cu, Ni and CuNi catalysts at different Water Gas Shift reaction conditions J. Catal. (IF 6.5) Pub Date : 2025-05-06 E. Poggio-Fraccari, R. Jiménez, A. Karelovic, L. Alemany, F. Mariño
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NMR relaxometry investigation about the role of a protective silica layer on Pd/C catalyst J. Catal. (IF 6.5) Pub Date : 2025-05-06 M. Stucchi, A. Engel, F. Drault, I. Barlocco, A. Villa, S. Hermans, L. Prati
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Probing the particle size effect of carbon disulfide deep hydrogenation over low-loading Pt/Al2O3 catalysts J. Catal. (IF 6.5) Pub Date : 2025-05-06 Yuxuan Xie, Zhao Li, Ziruo Zeng, Lina Sun, Shuangyou Bao, Xin Sun, Kunlin Li, Chi Wang, Fei Wang, Ping Ning, Kai Li
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Cross-aldol condensation on missing linker sites of metal–organic framework UiO-66 J. Catal. (IF 6.5) Pub Date : 2025-05-06 Ruixue Zhao, Thais R. Scott, Julian Schmid, Laura Löbbert, Ricardo Bermejo-Deval, Yue Liu, Laura Gagliardi, Matthew Neurock, Johannes A. Lercher
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Unveiling catalytic mechanism for highly selective production of hydrogen peroxide on nitrogen-rich conjugated covalent organic frameworks J. Catal. (IF 6.5) Pub Date : 2025-05-05 Kai Zhang, Jiayin Shang, Qiguan Wang, Jiale Chen, Hong Deng, Yuxin Cui, Qing Guo, Sumin Wang
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From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks J. Catal. (IF 6.5) Pub Date : 2025-05-02 Aditya Nandy
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Engineering amorphous MoS2/RGO hybrid nanoflowers with rich edge sites boost catalytic hydrogen generation J. Catal. (IF 6.5) Pub Date : 2025-04-30 Bo Ma, Yong Zhang, Chunyong He
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Electrocatalytic conversion of benzaldehyde on Cu in alkaline media J. Catal. (IF 6.5) Pub Date : 2025-05-02 Hongwen Chen, Jayendran Iyer, Yue Ma, Hui Chen, Sungmin Kim, Debra J. Searles, M. Ali Haider, Rachit Khare, Johannes A. Lercher
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Towards the computational design of single atom alloys for methane to ethylene conversion J. Catal. (IF 6.5) Pub Date : 2025-05-03 Chengyu Zhou, Manish Kothakonda, Qing Zhao
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Plasmonic CuSe/CuTCPP S-scheme heterojunction for efficient CO2 photoreduction under visible-near-infrared light J. Catal. (IF 6.5) Pub Date : 2025-05-03 Qiaozhen Xu, Wenhao Liu, Tao Lv, Hong Liu
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Visible light-induced catalytic syntheses of thioamides as biomass-based corrosion inhibitors for mild steel J. Catal. (IF 6.5) Pub Date : 2025-05-02 Junda Chen, Jinzhu Chen
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Selective regulation of oxygen transfer for green oxidation of n-butane under mild conditions: Performance and mechanism J. Catal. (IF 6.5) Pub Date : 2025-05-02 Dongpo Li, Chao Xiong, Xingrui Zhao, Tianfu Yang, Yimo Wu, Peng Hu, Hongbing Ji
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Determining site requirements for reactive species in multi-site catalysis on metal surfaces using excluded areas J. Catal. (IF 6.5) Pub Date : 2025-05-02 Ari F. Fischer
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Computational exploration of codoped Fe and Ru single-atom catalysts for the oxygen reduction reaction J. Catal. (IF 6.5) Pub Date : 2025-05-02 Haojun Jia, Chenru Duan, Gianmarco G. Terrones, Ilia Kevlishvili, Heather J. Kulik
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Highly unsaturated oxygen promotes formaldehyde catalytic oxidation on the defective Co3O4 (111) surface: A DFT study J. Catal. (IF 6.5) Pub Date : 2025-04-30 Xing Wang, Jiajia Wang, Dan Song, Jianyong Feng, Zhaosheng Li
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Palladium/rhodium-catalyzed four-component carbonylative difunctionalization of alkynes: Regio- and stereoselective esterification/selenylation to access β-selenyl acrylates J. Catal. (IF 6.5) Pub Date : 2025-04-30 Fengxiang Zhu, Huanan Wu, Xiao-Feng Wu
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Bimetallic NiCu catalyst with tailored d-band center derived from nanoflower-like LDHs for efficient and tunable selectivity of maleic anhydride hydrogenation J. Catal. (IF 6.5) Pub Date : 2025-04-29 Chengliang Wang, Xia Guo, Jinbian Lv, Yin Zhang, Haitao Li, Jie Gao, Wei Wei, Di Zhang, Yongxiang Zhao
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Unraveling the role of CH3S* intermediates for efficient methane and hydrogen sulfide reforming over Mo/Al2O3 catalysts J. Catal. (IF 6.5) Pub Date : 2025-04-29 Jundao Wu, Zeai Huang, Zhen He, Rustem Zairov, Xiaoting He, Yue Huang, Mengyao Fu, Chengdong Yuan, Oleg G. Sinyashin, Ying Zhou
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Using machine learning to guide the synthesis of supported palladium catalysts with desired palladium dispersion J. Catal. (IF 6.5) Pub Date : 2025-04-29 Kubra Tiras, Burcu Oral, Nazlinur Koparipek Arslan, Sila Alemdar, Ramazan Yildirim, Alper Uzun
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Dual adsorbate mechanism in OER process achieved by the surface nitridation of the polydopamine modified electrodes J. Catal. (IF 6.5) Pub Date : 2025-04-29 Chenglu Liang, Longxia Wang, Weiyi Li, Xianbao Liu, Jingyao Yin, Zhiyan Feng, Rong Guo, Yang Liu, Qianting Wang, Chan Zheng
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Promoting electrocatalysts design combining general thermodynamic evaluation and specific kinetic study J. Catal. (IF 6.5) Pub Date : 2025-04-28 Han Lu, Jun Long, Huan Li, Hao Li, Jianping Xiao
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Interaction of hydrocarbons containing four hydrogen atoms with condensed phases: Classification of H/D exchange mechanisms and mechanism selection algorithm J. Catal. (IF 6.5) Pub Date : 2025-04-28 Dmitriy M. Zakharov, Maxim V. Ananyev
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N-position isomerization to enhance the CO2 photoreduction performance of bipyridine-based covalent organic frameworks J. Catal. (IF 6.5) Pub Date : 2025-04-28 Mingming Chu, Wenjing Sun, Songbing Yu, Yuanhang Li, Fangyu Zhu, Lijuan Yu, Yongyong Cao, Xuebo Cao, Yiming Li
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Fluorination modulates the interaction of water with MgO catalysts during propylene glycol dehydrogenation J. Catal. (IF 6.5) Pub Date : 2025-04-26 Song Tian, Jian Lu, Jimmy A. Faria Albanese