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“School of Nano-Sciences”

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Paper   IPM / Nano-Sciences / 14840
School of Nano Science
  Title:   Silver cluster supported on nitrogen-doped graphene as an electrocatalyst with high activity and stability for oxygen reduction reaction
  Author(s): 
1 . Seifollah Jalili
2 . Elham Moharramzadeh Goliaei
3 . Jeremy Schofield
  Status:   Published
  Journal: Int. J. Hydrogen Energy.
  Vol.:  42
  Year:  2017
  Pages:   14522
  Publisher(s):   Elsevier Ltd.
  Supported by:  IPM
  Abstract:
An Ag8 cluster deposited on three different types of nitrogen (N)-doped graphene was studied using density functional theory calculations with empirical pair potentials (DFT-D). Among the different kinds of N-doped graphene, the pyridinic-N3 (P-N3) type can act as the best anchor position to stabilize Ag8. In addition, it is found that supported Ag8 clusters show higher activity in oxygen reduction reaction compared to unsupported clusters due to significant decrease in O2 adsorption energy and higher charge transfer to O2. Electron transfer from Ag to O2 leads to the elongation of the OeO bond, which facilitates the breaking of this bond in the oxygen reduction reaction. All results suggest that N-doped graphene support can play a significant role in the chemical reactivity of a Ag8 cluster in oxygen reduction reaction.

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