Uranium-Doped Zinc, Copper, and Nickel Oxides for Enhanced Catalytic Conversion of Furfural to Furfuryl Alcohol: A Relativistic DFT Study

Uranium-Doped Zinc, Copper, and Nickel Oxides for Enhanced Catalytic Conversion of Furfural to Furfuryl Alcohol: A Relativistic DFT Study

Transition metal oxides (TMOs) and actinide ones (AnOs) have been widely applied in catalytic reactions due to their excellent physicochemical properties. However, the reaction pathway and mechanism, especially involving TM–An heterometallic centers, remain underexplored. In this respect, relativist...

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Bibliographic Details
Main Authors: Shuang Li, Yu-Chang Hou, Yuan-Ru Guo, Qing-Jiang Pan
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Molecules
Subjects:
transition metal oxide catalyst
uranium doping
furfural and furfuryl alcohol
thermodynamic reaction pathway
relativistic DFT
Online Access:https://www.mdpi.com/1420-3049/27/18/6094

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