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- W2755498782 abstract "Abstract Current catalysts used for ethanol oxidation reaction (EOR) cannot effectively prevent CH 3 COOH formation, and thus become a major hindrance for direct ethanol fuel cell applications. We report an Ir catalyst that shows great promise for a complete EOR based on density functional theory calculations using PBE functional. The reaction barrier on Ir(1 0 0) was found to be 2.10 eV for CH 3 COOH formation, which is much higher than currently used Pd and Pt, and 0.57 eV for C C bond cleavage in CHCO species, which are comparable to Pd and Pt. The result suggests future directions for studying optimal complete EOR catalysts." @default.
- W2755498782 created "2017-09-25" @default.
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- W2755498782 date "2017-11-01" @default.
- W2755498782 modified "2023-10-17" @default.
- W2755498782 title "Ir catalysts: Preventing CH3COOH formation in ethanol oxidation" @default.
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- W2755498782 doi "https://doi.org/10.1016/j.cplett.2017.09.045" @default.
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