Size effect of oxygen reduction reaction on nitrogen-doped graphene quantum dots

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DOI

  • Peng Zhang, Jiangsu University
  • ,
  • Qiang Hu, Jiangsu University
  • ,
  • Xuejing Yang, Jiangsu University
  • ,
  • Xiuli Hou, Jiangsu University
  • ,
  • Jianli Mi, Jiangsu University
  • ,
  • Lei Liu, Jiangsu University
  • ,
  • Mingdong Dong

N-doped graphene quantum dots (GQDs) are attracting great interest as promising Pt-free oxygen reduction reaction (ORR) catalysts. In this work, the mechanism of ORR on N-doped GQDs with three different sizes has been investigated based on density functional theory. Our results show that the size of the N-doped GQDs affects the ORR. The adsorption strength of ORR intermediates, the reaction free energy of the ratedetermining step, and the overpotential increase with the increase of the size of N-doped GQDs. The N-doped GQDs with the smallest size possess the smallest overpotential, indicating the highest ORR catalytic activity. Our results will help to understand the size effect of N-doped GQDs on the catalytic activity of ORR.

Original languageEnglish
JournalR S C Advances
Volume8
Issue1
Pages (from-to)531-536
Number of pages6
ISSN2046-2069
DOIs
Publication statusPublished - 2018

    Research areas

  • METAL-FREE ELECTROCATALYSTS, DENSITY-FUNCTIONAL THEORY, CARBON ALLOY CATALYSTS, ACTIVE-SITES, EVOLUTION REACTIONS, TRANSITION-METALS, NANOTUBE ARRAYS, BORON, NANORIBBONS, PHOSPHORUS

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