A density functional theory study of catalytic sites for oxygen reduction in Fe/N/C catalysts used in H2/O2 fuel cells

The oxygen reduction catalytic activity of carbon-supported FeN 4 moieties bridging micropores between two graphene sheets was investigated by density functional theory (DFT). Based on the FeN 2+2 /C structure proposed earlier by our group, two types of FeN 2+2 /C structures were considered: one mos...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2014-07, Vol.16 (27), p.13654-13661
Hauptverfasser:	Szakacs, Csaba E, Lefèvre, Michel, Kramm, Ulrike I, Dodelet, Jean-Pol, Vidal, François
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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