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 A Computational Investigation Of Oxygen Reduction Reaction Mechanisms On Si- And Al-doped Graphene: A Comparative Study

Mehdi D. Esrafili; Parisa Nematollahi

Volume 6, Issue 6 , June 2015, , Pages 527-530

http://dx.doi.org/10.5185/amlett.2015.5751

Abstract
  In this letter, the mechanisms of the oxygen reduction reaction (ORR) on Si- and Al-doped graphene have been investigated to understand the effect of doped graphene on the ORR and predict details of ORR pathways. Density functional theory (DFT) calculations were used to achieve the true mechanism pathways ...  Read More