Mechanistic insight into the hydrogenation of acetylene on the Pd2/g-C3N4 catalyst: effect of Pd clustering on the barrier energy and selectivity |
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| Authors: | Hosseini Sayyed Mahdi Ghiaci Mehran Farrokhpour Hossein |
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| Institution: | 1.Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111, Iran
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| Abstract: | Structural Chemistry - In this work, the hydrogenation of acetylene on the Pd2/g-C3N4 catalyst is investigated by the density functional theory (DFT) and quantum theory of atoms in molecules... |
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