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DFT Study of the Oxygen Reduction Reaction Activity on Fe−N(4)-Patched Carbon Nanotubes: The Influence of the Diameter and Length

The influences of diameter and length of the Fe−N(4)-patched carbon nanotubes (Fe−N(4)/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−N(4) catalytic site in Fe−N(4...

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Detalles Bibliográficos
Autores principales:	Chen, Xin, Hu, Rui, Bai, Fan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458981/ https://www.ncbi.nlm.nih.gov/pubmed/28772903 http://dx.doi.org/10.3390/ma10050549

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