Selective Hydrogenation of Acetylene Catalysed by a B<sub>12</sub>N<sub>12</sub> Cluster Doped with a Single Nickel Atom: A DFT Study

Selective Hydrogenation of Acetylene Catalysed by a B<sub>12</sub>N<sub>12</sub> Cluster Doped with a Single Nickel Atom: A DFT Study

To obtain a catalyst based on a non-precious metal that can replace traditional palladium-based selective catalysts of acetylene hydrogenation, the catalytic performances of two different configurations of a B<sub>12</sub>N<sub>12</sub> cluster doped with a single nickel atom...

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Bibliographic Details
Main Authors: Yun Wang, Lihua Kang
Format: Article
Language:English
Published: MDPI AG 2020-01-01
Series:Catalysts
Subjects:
selective hydrogenation
b<sub>12</sub>n<sub>12</sub>
dft
non-precious metal
Online Access:https://www.mdpi.com/2073-4344/10/1/115

Internet

https://www.mdpi.com/2073-4344/10/1/115

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