@article{47d04256396142da8155bee9a43a1b56,
title = "Mesoporosity-Enabled Selectivity of Mesoporous Palladium-Based Nanocrystals Catalysts in Semihydrogenation of Alkynes",
abstract = "We reported mesoporosity engineering as a general strategy to promote semihydrogenation selectivity of palladium (Pd)-based nanobundles catalysts. The best mesoporous PdP displayed full conversion, remarkable activity, excellent selectivity, and high stability in semihydrogenation of 1-phenyl-1-propyne, all of which are remarkably better than commercial Lindlar catalysts. Mechanistic investigations ascribed high semihydrogenation selectivity to the continuous crystalline framework and penetrated mesoporous channel of catalysts that weakened the adsorption and interaction capacity of alkenes and thus inhibited over-hydrogenation of alkenes to industrially unfavorable alkanes. Density functional theory calculations further demonstrated that convex crystalline mesoporosity of nanobundles catalysts electronically optimized the coordination environment of Pd active sites and energetically changed hydrogenation trends, resulting in a superior semihydrogenation selectivity to targeted alkenes.",
keywords = "Catalytic Mechanism, Crystalline Framework, Mesoporosity, Mesoporous Metal, Semihydrogenation",
author = "Hao Lv and Huaiyu Qin and Mingzi Sun and Fengrui Jia and Bolong Huang and Ben Liu",
note = "Funding Information: B.L. is grateful for financial supports from the Fundamental Research Funds for the Central Universities and the Open Project of State Key Laboratory of Supramolecular Structure and Materials (sklssm2021011). B.H. gratefully acknowledges the support from the National Key R&D Program of China (2021YFA1501101), the Natural Science Foundation of China (Grant No.: NSFC 21771156) and the NSFC RGC Joint Research Scheme Project (N_PolyU502/21). We also thank Dr. Yanping Huang from the Center of Engineering Experimental Teaching, School of Chemical Engineering, Sichuan University for the help of SEM/TEM images. Funding Information: B.L. is grateful for financial supports from the Fundamental Research Funds for the Central Universities and the Open Project of State Key Laboratory of Supramolecular Structure and Materials (sklssm2021011). B.H. gratefully acknowledges the support from the National Key R&D Program of China (2021YFA1501101), the Natural Science Foundation of China (Grant No.: NSFC 21771156) and the NSFC RGC Joint Research Scheme Project (N_PolyU502/21). We also thank Dr. Yanping Huang from the Center of Engineering Experimental Teaching, School of Chemical Engineering, Sichuan University for the help of SEM/TEM images. Publisher Copyright: {\textcopyright} 2021 Wiley-VCH GmbH",
year = "2022",
month = feb,
day = "14",
doi = "10.1002/anie.202114539",
language = "English",
volume = "61",
journal = "Angewandte Chemie - International Edition",
issn = "1433-7851",
publisher = "John Wiley and Sons Ltd",
number = "8",
}