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- W2314543357 abstract "Improving the durability of a platinum catalyst is an important step in increasing its utility when incorporated as the anode or cathode of a proton-exchange membrane fuel cell. Using density functional theory, the binding energy between a platinum atom and five graphene surfaces, one pure, and four others singly doped with beryllium, boron, nitrogen, and oxygen, was calculated. The oxygen-doped surface showed the highest binding energy and was calculated to be 7 times higher than the undoped surface. Each dopant modified the surface bonding arrangement within the graphene lattice, which then affected how the surface bonded to the platinum atom. Using molecular orbitals, natural bond orbitals, and the gradient of the electron density, these interactions were explored to explain the strength of the Pt–surface bond, which, in ascending order by dopant, was found to be undoped, nitrogen, boron, beryllium, and oxygen." @default.
- W2314543357 created "2016-06-24" @default.
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- W2314543357 date "2012-05-03" @default.
- W2314543357 modified "2023-10-10" @default.
- W2314543357 title "Improving Platinum Catalyst Durability with a Doped Graphene Support" @default.
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- W2314543357 doi "https://doi.org/10.1021/jp203734d" @default.
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