Methane dissociative reaction on Rh-decorated carbon and boron-nitride nanotubes
- Resource Type
- Authors
- Bundet Boekfa; Piti Treesukol; Yuwanda Injongkol
- Source
- 2015 International Conference on Science and Technology (TICST).
- Subject
- Nanotube
Chemistry
Inorganic chemistry
chemistry.chemical_element
Carbon nanotube
Activation energy
Methane
law.invention
Catalysis
chemistry.chemical_compound
law
Boron nitride
Dissociative substitution
Carbon
- Language
The methane decomposition reactions catalyzed by Rh decorated carbon nanotube and by Rh decorated boron-nitride nanotube have been investigated by means of the density functional theory with the M06-L hybrid functional. In both cases, the single-step dissociative adsorption of methane are proposed. According to the activation energy, Methane decomposition on the Rh boron-nitride is preferable than that on the Rh carbon nanotube. An anionic Rh atom on boron-nitride is responsible for the lowering of activation energy of methane decomposition. Moreover, changes in electron configuration of Rh atom upon the metal support interaction can alter the mechanism significantly therefore it is worth to be further investigated in details.