Busch, Michael ; Halck, Niels B. ; Kramm, Ulrike I. ; Siahrostami, Samira ; Krtil, Petr ; Rossmeisl, Jan (2016)
Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen evolution.
In: Nano Energy, 29
doi: 10.1016/j.nanoen.2016.04.011
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
We study the oxygen reduction (ORR) and the oxygen evolution reaction (OER) and based on previous obtained mechanistic insight we provide a unified general analysis of the two reactions simultaneously. The analysis shows that control over at least two independent binding energies is required to obtain a reversible perfect catalyst for both ORR and OER. Often only the reactivity of the surface is changed by changing from one material to another and all binding energies scale with the reactivity. We investigate the limitation in efficiency imposed by these linear scaling relations. This analysis gives rise to a double volcano for ORR and OER, with a region in between, forbidden by the scaling relations. The reversible perfect catalyst for both ORR and OER would fall into this “forbidden region”. Previously, we have found that hydrogen acceptor functionality on oxide surfaces can improve the catalytic performance for OER beyond the limitations originating from the scaling relations. We use this concept to search for promising combinations of binding sites and hydrogen donor/acceptor sites available in transition metal doped graphene, which can act as a catalyst for ORR and OER. We find that MnN4-site embedded in graphene by itself or combined with a COOH is a promising combination for a great combined ORR/OER catalyst.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2016 |
| Autor(en): | Busch, Michael ; Halck, Niels B. ; Kramm, Ulrike I. ; Siahrostami, Samira ; Krtil, Petr ; Rossmeisl, Jan |
| Art des Eintrags: | Bibliographie |
| Titel: | Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen evolution |
| Sprache: | Englisch |
| Publikationsjahr: | November 2016 |
| Verlag: | Elsevier Science Publishing |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Nano Energy |
| Jahrgang/Volume einer Zeitschrift: | 29 |
| DOI: | 10.1016/j.nanoen.2016.04.011 |
| Kurzbeschreibung (Abstract): | We study the oxygen reduction (ORR) and the oxygen evolution reaction (OER) and based on previous obtained mechanistic insight we provide a unified general analysis of the two reactions simultaneously. The analysis shows that control over at least two independent binding energies is required to obtain a reversible perfect catalyst for both ORR and OER. Often only the reactivity of the surface is changed by changing from one material to another and all binding energies scale with the reactivity. We investigate the limitation in efficiency imposed by these linear scaling relations. This analysis gives rise to a double volcano for ORR and OER, with a region in between, forbidden by the scaling relations. The reversible perfect catalyst for both ORR and OER would fall into this “forbidden region”. Previously, we have found that hydrogen acceptor functionality on oxide surfaces can improve the catalytic performance for OER beyond the limitations originating from the scaling relations. We use this concept to search for promising combinations of binding sites and hydrogen donor/acceptor sites available in transition metal doped graphene, which can act as a catalyst for ORR and OER. We find that MnN4-site embedded in graphene by itself or combined with a COOH is a promising combination for a great combined ORR/OER catalyst. |
| Freie Schlagworte: | Electrocatalysis, Oxygen reduction, Oxygen Evolution, Volcano, Density functional theory |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Anorganische Chemie > Fachgruppe Katalysatoren und Elektrokatalysatoren 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Anorganische Chemie |
| Hinterlegungsdatum: | 17 Aug 2017 11:00 |
| Letzte Änderung: | 18 Aug 2021 08:22 |
| PPN: | |
| Sponsoren: | The project was supported by the Carlsberg foundation grant CF15-0165., UIK acknowledges financial support by the DFG (GSC 1070). |
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