The use of nanometer-sized hydrographene species for support material for fuel cell electrode catalysts: a theoretical proposal
Literature Information
Takashi Yumura, Keisuke Kimura, Hisayoshi Kobayashi, Ryo Tanaka, Norio Okumura, Tokio Yamabe
Density functional theory (DFT) calculations propose that nanometer-sized hydrographene species, graphene-based clusters terminated by H atoms are a promising candidate for a support material for Pt catalysts in fuel cell. The proposal is based on the following three criteria: a small HOMO–LUMO gap of a nanometer-sized hydrographene species with and without a Pt cluster being comparable to zero-gap in infinite-size graphene, strengthening interactions of a Pt cluster with hydrographene species by utilizing its edge, and spontaneous H2activation by a Pt cluster on a carbon surface.
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