title: Toward new fuel cell support materials: a theoretical and experimental study of nitrogen-doped graphene.
abstract: 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.
authors.affiliation: Department of Energy Systems Engineering, Daegu Gyeongbuk Institute of Science and Technology (DGIST), Daegu, 711-873 (Republic of Korea), Fax: (+82) 53-785-6409.
authors.forename: Min Ho
authors.initials: MH
authors.lastname: Seo
authors.forename: Sung Mook
authors.initials: SM
authors.lastname: Choi
authors.forename: Eun Ja
authors.initials: EJ
authors.lastname: Lim
authors.forename: In Hye
authors.initials: IH
authors.lastname: Kwon
authors.forename: Joon Kyo
authors.initials: JK
authors.lastname: Seo
authors.forename: Seung Hyo
authors.initials: SH
authors.lastname: Noh
authors.forename: Won Bae
authors.initials: WB
authors.lastname: Kim
authors.forename: Byungchan
authors.initials: B
authors.lastname: Han
mesh_terms: D002384:Catalysis; D011211:Electric Power Supplies; D006108:Graphite / Q000737:chemistry*; D053768:Metal Nanoparticles / Q000737:chemistry; D000432:Methanol / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D009584:Nitrogen / Q000737:chemistry*; D010084:Oxidation-Reduction; D010100:Oxygen / Q000737:chemistry; D010984:Platinum / Q000737:chemistry; D011789:Quantum Theory
chemical_list: D010984:Platinum; D006108:Graphite; D009584:Nitrogen; D010100:Oxygen; D000432:Methanol
keywords: density functional calculations; doping; graphene; platinum; supported catalysts