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Lyu, Pengbo ; Ertl, Michael ; Heard, Christopher J. ; Grajciar, Lukáš ; Radha, A.V. ; Martin, Thomas ; Breu, Josef ; Nachtigall, Petr:
Structure Determination of the Oxygen Evolution Catalyst Mössbauerite.
In: The Journal of Physical Chemistry C.
Bd. 123
(2019)
Heft 41
.
- S. 25157-25165.
ISSN 1932-7455
DOI: https://doi.org/10.1021/acs.jpcc.9b06061
Abstract
Layered double hydroxides (LDHs) of various compositions have been shown to be potent photo- and electrocatalysts. Recently, mossbauerite, obtained by chemical oxidation of an all-iron, mixed-valence green rust (GR) LDH, was introduced as an efficient oxygen evolution reaction (OER) electrocatalyst. An accurate characterization of the structure of mossbauerite is necessary for a knowledge-based future optimization of OER performance. However, as is typical for layered materials, massive defects hamper the understanding of its true structure. In this work, we elucidate the structure of mossbauerite and gain insight into the structure-property relationships relevant to its potential as an OER catalyst. Density functional theory calculations show that upon oxidation of a GR precursor to mossbauerite, the direct grafting of interlayer anions to octahedral iron becomes energetically feasible. This indicates that the grafted and interlayer carbonate anions may coexist in a random interstratification. This prediction is supported by analysis of infrared spectroscopy and X-ray powder diffraction data, which show that an interstratified model with turbostratic planar disorder provides a good fit with the experiment.
Weitere Angaben
| Publikationsform: | Artikel in einer Zeitschrift |
|---|---|
| Begutachteter Beitrag: | Ja |
| Keywords: | Green Rust; Topotactic Transformation; Layerd hydroxides; AB-Initio; Hydrotalcite; Carbonate; Simulation; Fougerite; Minerals; Nife |
| Institutionen der Universität: | Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften > Fachgruppe Chemie > Lehrstuhl Anorganische Chemie I > Lehrstuhl Anorganische Chemie I - Univ.-Prof. Dr. Josef Breu Fakultäten Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften > Fachgruppe Chemie Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften > Fachgruppe Chemie > Lehrstuhl Anorganische Chemie I |
| Titel an der UBT entstanden: | Ja |
| Themengebiete aus DDC: | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Eingestellt am: | 02 Dec 2019 15:31 |
| Letzte Änderung: | 02 Dec 2019 15:31 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/53427 |