Jump to main content
Jump to site search

Issue 27, 2017
Previous Article Next Article

CoN3 embedded graphene, a potential catalyst for the oxygen reduction reaction from a theoretical perspective

Author affiliations

Abstract

Non-precious metal catalysts have attracted particular interest in recent years due to their promising ORR (oxygen reduction reaction) activity in fuel cells. In this work, the structural stability and ORR mechanism of CoN3 embedded graphene have been studied theoretically in acid media. The results indicate that CoN3 embedded graphene is stable thermodynamically. The kinetically most favorable reaction pathway for the ORR is a four-electron process. The process of OOH hydrogenation to generate O + H2O is the most favorable pathway. In the rate determining step, the energy barrier is 0.38 eV, much smaller than the theoretical value of ∼0.80 eV for pure Pt. The predicted working potential is 0.4 V for the most favorite pathway. Besides the lower energy barrier, the smaller Tafel slope compared with pure Pt in both low and high overpotential regions also suggests that CoN3 embedded graphene is a promising electrocatalyst for the ORR.

Graphical abstract: CoN3 embedded graphene, a potential catalyst for the oxygen reduction reaction from a theoretical perspective

Back to tab navigation

Supplementary files

Publication details

The article was received on 21 Apr 2017, accepted on 15 Jun 2017 and first published on 16 Jun 2017


Article type: Paper
DOI: 10.1039/C7CP02622F
Citation: Phys. Chem. Chem. Phys., 2017,19, 17670-17676
  •   Request permissions

    CoN3 embedded graphene, a potential catalyst for the oxygen reduction reaction from a theoretical perspective

    X. Sun, K. Li, C. Yin, Y. Wang, F. He, H. Tang and Z. Wu, Phys. Chem. Chem. Phys., 2017, 19, 17670
    DOI: 10.1039/C7CP02622F

Search articles by author

Spotlight

Advertisements