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.…


| 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): | Creative Commons - CC0 1.0 - Universell - Public Domain Dedication |
| Datum der Freischaltung: | 14.01.2026 |
| Referierte Publikation: | Nein |
| Schriftenreihen ohne Nummerierung: | Forschungsdatensätze der BAM |


