Mg-Templated Porosity as a Descriptor of Activity and Durability in ZIF-Derived Fe–N–C O2 Reduction Catalysts - Dataset

  • Atomically dispersed Fe in N-doped carbon (Fe-N-C) catalysts are leading platinum-group-metal-free candidates for the O2 reduction reaction in proton exchange membrane fuel cells (PEMFCs). Zeolitic imidazolate framework (ZIF-8) derived Fe-N-C present the most promising performance; however, they possess a narrow distribution of small micropores, which limits active site accessibility. Here, to induce hierarchical porosity in Fe-N-C, we report a systematic study on MgCl₂·6H₂O-templated ZIF-8-derived Fe-N-C catalysts for the O2 reduction reaction. MgCl₂·6H₂O addition induced complete Zn removal, collapse of the ZIF-8 framework, and formation of large micro- and mesopores, with graphene-like structures. N content was markedly reduced, with conversion from pyridinic to pyrrolic N species. Rotating disc electrode tests showed a progressive increase in O2 reduction activity with MgCl₂·6H₂O, which is strongly correlated (R2 = 0.98) to the formation of large micropores and small mesoporesAtomically dispersed Fe in N-doped carbon (Fe-N-C) catalysts are leading platinum-group-metal-free candidates for the O2 reduction reaction in proton exchange membrane fuel cells (PEMFCs). Zeolitic imidazolate framework (ZIF-8) derived Fe-N-C present the most promising performance; however, they possess a narrow distribution of small micropores, which limits active site accessibility. Here, to induce hierarchical porosity in Fe-N-C, we report a systematic study on MgCl₂·6H₂O-templated ZIF-8-derived Fe-N-C catalysts for the O2 reduction reaction. MgCl₂·6H₂O addition induced complete Zn removal, collapse of the ZIF-8 framework, and formation of large micro- and mesopores, with graphene-like structures. N content was markedly reduced, with conversion from pyridinic to pyrrolic N species. Rotating disc electrode tests showed a progressive increase in O2 reduction activity with MgCl₂·6H₂O, which is strongly correlated (R2 = 0.98) to the formation of large micropores and small mesopores (1-4 nm). This introduces a clear structure-activity design principle for Fe-N-Cs. The enhanced Fe-N-C porosity also leads to increased degradation rates under accelerated stress test conditions, which we attributed to the oxidation of disordered carbon domains and active Fe loss. This study highlights a key trade-off between porosity-driven O2 reduction activity and durability in Fe-N-C catalysts.zeige mehrzeige weniger

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Autor*innen:Angus PedersenORCiD
Koautor*innen:Jinjie Zhu, Jesús Barrio, Joseph Parker, Robert Hunter, Sarah Haigh, Tim-Patrick FellingerORCiD, Ifan Stephens, Maria-Magdalena Titirici
Dokumenttyp:Forschungsdatensatz
Veröffentlichungsform:Graue Literatur
Sprache:Englisch
Jahr der Erstveröffentlichung:2026
Organisationseinheit der BAM:3 Gefahrgutumschließungen; Energiespeicher
3 Gefahrgutumschließungen; Energiespeicher / 3.6 Elektrochemische Energiematerialien
Verlag:Bundesanstalt für Materialforschung und -prüfung (BAM)
Verlagsort:Berlin
DDC-Klassifikation:Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten
Freie Schlagwörter:Oxygen reduction; Single atom; Zeolitic imidazolate framework
Themenfelder/Aktivitätsfelder der BAM:Energie
Energie / Elektrische Energiespeicher und -umwandlung
DOI:10.26272/opus4-65228
Verfügbarkeit des Dokuments:Datei für die Öffentlichkeit verfügbar ("Open Access")
Lizenz (Deutsch):License LogoCreative Commons - CC0 1.0 - Universell - Public Domain Dedication
Datum der Freischaltung:14.01.2026
Referierte Publikation:Nein
Schriftenreihen ohne Nummerierung:Forschungsdatensätze der BAM
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