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Theoretical Density Functional Theory Study of Electrocatalytic Activity of MN(4)-Doped (M = Cu, Ag, and Zn) Single-Walled Carbon Nanotubes in Oxygen Reduction Reactions
[Image: see text] The mechanism of oxygen reduction reaction (ORR) on transition metal-doped nitrogen codoped single-walled nanotubes, C(114)H(24)MN(4) (MN(4)-CNT where M = Zn, Cu, or Ag; N = pyridinic nitrogen), has been studied with the density functional theory method at the ωB97XD/DGDZVP level o...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7807812/ https://www.ncbi.nlm.nih.gov/pubmed/33458489 http://dx.doi.org/10.1021/acsomega.0c04727 |