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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...
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| Publicat a: | ACS Omega |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2020
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7807812/ https://ncbi.nlm.nih.gov/pubmed/33458489 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c04727 |
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