Graphyne nanotubes as electrocatalysts for oxygen reduction reaction: the effect of doping elements on the catalytic mechanisms.

  • Xin Chen
  • Published 2015 in Physical chemistry chemical physics : PCCP

Abstract

The detailed density functional theory (DFT) calculations have been carried out to study the oxygen reduction reaction (ORR) activity and the mechanism on doped single-walled γ-graphyne nanotubes (GNTs). Four of the most commonly used doping elements, N, B, P, and S atoms, were used to investigate the doping effects. The calculated results indicate that… (More)
DOI: 10.1039/c5cp05350a

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