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

摘要: 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 stability not well understood. We applied first-principles calculations experimental measurements well-defined model systems of N-doped graphene supports (N-GNS) reveal fundamental mechanisms control catalytic properties structural integrity nano-scale particles. DFT predict thermodynamic electrochemical interactions between N-GNS nanoparticles methanol oxidation reaction (MOR) oxygen reduction (ORR). Moreover, dissolution potentials supported GNS catalysts calculated under acidic conditions. Our results provide insight into design new materials for enhanced efficiency long-term stability.