Hydrogen adsorption on boron nitride nanotubes functionalized with transition metals

Hydrogen adsorption on boron nitride nanotubes functionalized with transition metals

The implementation and effectiveness of the adsorption of H2 on Transition Metal-doped boron nitride nanotubes (TM/BNNT) with B[sbnd]N defects was evaluated with the aide of spin-unrestricted Density Functional Theory formalism. The results indicate that due to the formation of non-hexagonal rings i...

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Bibliographic Details
Main Authors: Mananghaya, Michael, Yu, Dennis, Santos, Gil Nonato
Format: text
Published: Animo Repository 2016
Subjects:
Hydrogen—Absorption and adsorption
Computer simulation
Nanostructures
Chemical Engineering
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/1418
https://animorepository.dlsu.edu.ph/context/faculty_research/article/2417/type/native/viewcontent
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Institution: De La Salle University

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https://animorepository.dlsu.edu.ph/faculty_research/1418
https://animorepository.dlsu.edu.ph/context/faculty_research/article/2417/type/native/viewcontent

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