Hydrogen peroxide adsorption on Fe-filled single-walled carbon nanotubes: A theoretical study

Hydrogen peroxide adsorption on Fe-filled single-walled carbon nanotubes: A theoretical study

We investigated the adsorption of hydrogen peroxide molecules on Fe-filled single-walled carbon nanotubes (SWNTs) based on density functional theory (DFT) calculations. The adsorption possibilities for the hydrogen peroxide molecule were tested by finding the minimum energy as a function of distance...

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Bibliographic Details
Main Authors: Moreno, Joaquin Lorenzo Valmoria, Kasai, Koichiro, David, Melanie Yadao, Nakanishi, Hiroshi, Kasai, Hideaki
Format: text
Published: Animo Repository 2009
Subjects:
Hydrogen peroxide
Carbon nanotubes
Density functionals
Proton exchange membrane fuel cells
Cell membranes
Physics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/3799
https://animorepository.dlsu.edu.ph/context/faculty_research/article/4801/type/native/viewcontent/064219.html
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Institution: De La Salle University
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Summary:We investigated the adsorption of hydrogen peroxide molecules on Fe-filled single-walled carbon nanotubes (SWNTs) based on density functional theory (DFT) calculations. The adsorption possibilities for the hydrogen peroxide molecule were tested by finding the minimum energy as a function of distance of the molecule from the Fe-filled SWNT. Stable structures were obtained by optimizing the hydrogen peroxide (H2O2) as it was adsorbed on to the Fe-filled SWNT. This study may serve as an initial investigation into the possibility of Fe-filled single-walled carbon nanotubes (SWNTs) as catalyst material for the proton exchange membrane fuel cell (PEMFC). © 2009 IOP Publishing Ltd.

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