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- W4387454938 abstract "Ethanol oxidation reaction (EOR) at the anode of direct ethanol fuel cells (DEFCs) obeys C1/C2 dual-pathway reaction mechanism, and improving the selectivity of C1 pathway is crucial to the commercialization of DEFCs. Herein, a novel hydrogen-implanted PdGa single-atom alloy metallene (H-Ga1Pdene) is designed for optimizing the C1 pathway to achieve greatly enhanced C1 pathway selectivity through electronic and strain engineering. Benefiting from the strong p-d orbital hybridization interaction and tensile strain effect induced by hydrogen-implantation, H-Ga1Pdene exhibits high mass activity of 10.34 A mgPd-1 and C1 pathway selectivity of 54.7%, both showing an order of magnitude higher than that of commercial Pd/C. Theoretical calculations reveal that the p-d hybridization interaction could effectively accelerate the C-C bond cleavage and tensile strain enable efficient oxidation of CO* and CH3* produced by the C-C bond cleavage in C1 pathway, enabling H-Ga1Pdene to efficiently catalyze the complete electrooxidation of ethanol through the C1 pathway." @default.
- W4387454938 created "2023-10-10" @default.
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- W4387454938 date "2023-10-01" @default.
- W4387454938 modified "2023-10-11" @default.
- W4387454938 title "Hydrogen-Induced p-d Orbital Hybridization and Tensile Strain of PdGa Single-Atom Alloy Metallene Boosts Complete Electrooxidation of Ethanol" @default.
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- W4387454938 doi "https://doi.org/10.1016/j.apcatb.2023.123377" @default.
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