The Activation of Methane on Ru, Rh, and Pd Decorated Carbon Nanotube and Boron Nitride Nanotube: A DFT Study

The Activation of Methane on Ru, Rh, and Pd Decorated Carbon Nanotube and Boron Nitride Nanotube: A DFT Study

Methane decomposition catalyzed by an Ru, Rh, or Pd atom supported on a carbon or boron nitride nanotubes was analyzed by means of the density functional theory with the M06-L hybrid functional. The results suggested that the dissociative reaction of methane was a single-step mechanism. Based on the...

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Bibliographic Details
Main Authors: Bundet Boekfa, Piti Treesukol, Yuwanda Injongkol, Thana Maihom, Phornphimon Maitarad, Jumras Limtrakul
Format: Article
Language:English
Published: MDPI AG 2018-05-01
Series:Catalysts
Subjects:
methane decomposition reaction
carbon nanotubes
boron nitride nanotubes
density functional theory
Online Access:http://www.mdpi.com/2073-4344/8/5/190

Internet

http://www.mdpi.com/2073-4344/8/5/190

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