DFT study of CN oxidation (CN+1/2O(2) -> OCN) on the surfaces of chromium-doped nanotubes (Cr-CNT (8, 0) and Cr-BNNT (8,0))

The Cr-carbon nanotubes and Cr-boron nitride nanotubesas novel catalysts were used to find out the details of mechanisms of CN oxidation. The oxidation of CN molecule can process via Cr-CNT and Cr-BNNT catalysts through the Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. The CN molecule j...

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Bibliographic Details
Main Authors: Ashraf, Muhammmad Aqeel, Liu, Zhenling, Najafi, Meysam
Format: Article
Published: Springer Verlag 2020
Subjects:
Online Access:http://eprints.um.edu.my/36833/
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Institution: Universiti Malaya