Stability and electronic properties of the adsorption of molecular hydrogen on metal-containing single-walled carbon nanotubes

The binding ability and hydrogen storage capacity of nitrogen doped carbon nanotube with divacancy (4ND-CNxNT) that is decorated with transition metals was investigated based on density functional theory calculations. Results indicate that scandium shows an ideal reversible hydrogen binding capabili...

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Bibliographic Details
Main Author: Mananghaya, Michael
Format: text
Published: Animo Repository 2015
Subjects:
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/2209
https://animorepository.dlsu.edu.ph/context/faculty_research/article/3208/type/native/viewcontent
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Institution: De La Salle University