Ab initio molecular dynamics thermal decomposition of methane on Ni-Cu/γ-Al2O3 catalysts for CNT production: Effect of Cu promoter
The decomposition of a single CH4 molecule on the surface of Ni-Cu/γ-Al2O3 catalyst with 1:0, 1:1, and 0:1 Ni-Cu molar ratios for carbon nanotubes (CNT) production was investigated via ab initio molecular dynamics (AIMD) simulations with supporting empirical data. The simulation model was based on t...
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| Main Authors: | , , , |
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| Format: | text |
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Animo Repository
2017
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| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/1240 https://animorepository.dlsu.edu.ph/context/faculty_research/article/2239/type/native/viewcontent |
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| Institution: | De La Salle University |