DFT Study of the Oxygen Reduction Reaction Activity on Fe−N4-Patched Carbon Nanotubes: The Influence of the Diameter and Length

The influences of diameter and length of the Fe−N4-patched carbon nanotubes (Fe−N4/CNTs) on oxygen reduction reaction (ORR) activity were investigated by density functional theory method using the BLYP/DZP basis set. The results indicate that the stability of the Fe−N4 catalytic site in Fe−N4/CNTs w...

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Detalhes bibliográficos
Principais autores: Xin Chen, Rui Hu, Fan Bai
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2017-05-01
coleção:Materials
Assuntos:
Fe−N4 catalytic site
carbon nanotubes
oxygen reduction reaction
DFT
Acesso em linha:http://www.mdpi.com/1996-1944/10/5/549
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