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• W1905944905 abstract "Based on density functional theory, M-S4 structure embedded graphene (MS4/C, where M = Fe, Co and Ni) as a novel catalyst for ORR has been studied. It is found that the ORR activity of MS4/C catalyst depends on the selection of central metal atom. The adsorption energies of ORR intermediates on CoS4/C are smaller than those on FeS4/C, but are larger than those on NiS4/C. Due to the optimal adsorption strength, the free energy change of the rate-determining step involved in ORR is more favorable for CoS4/C compared with FeS4/C and NiS4/C, suggesting that CoS4/C has a better catalytic activity." @default.
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• W1905944905 date "2015-11-01" @default.
• W1905944905 modified "2023-10-15" @default.
• W1905944905 title "Oxygen reduction reaction on M-S4 embedded graphene: A density functional theory study" @default.
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• W1905944905 doi "https://doi.org/10.1016/j.cplett.2015.10.067" @default.
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