Toward New Fuel Cell Support Materials: A Theoretical and Experimental Study of Nitrogen-Doped Graphene

Min Ho Seo, Sung Mook Choi, Eun Ja Lim, In Hye Kwon, Joon Kyo Seo, Seung Hyo Noh, Won Bae Kim, Byungchan Han

Research output: Contribution to journalArticlepeer-review

43 Citations (Scopus)


Nano-scale Pt particles are often reported to be more electrochemically active and stable in a fuel cell if properly displaced on support materials; however, the factors that affect their activity and stability are not well understood. We applied first-principles calculations and experimental measurements to well-defined model systems of N-doped graphene supports (N-GNS) to reveal the fundamental mechanisms that control the catalytic properties and structural integrity of nano-scale Pt particles. DFT calculations predict thermodynamic and electrochemical interactions between N-GNS and Pt nanoparticles in the methanol oxidation reaction (MOR) and oxygen reduction reaction (ORR). Moreover, the dissolution potentials of the Pt nanoparticles supported on GNS and N-GNS catalysts are calculated under acidic conditions. Our results provide insight into the design of new support materials for enhanced catalytic efficiency and long-term stability.

Original languageEnglish
Pages (from-to)2609-2620
Number of pages12
Issue number9
Publication statusPublished - 2014 Sept

Bibliographical note

Publisher Copyright:
© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

All Science Journal Classification (ASJC) codes

  • Environmental Chemistry
  • General Chemical Engineering
  • General Materials Science
  • General Energy


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