at Google ScholarTitle data
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.
Vol. 123
(2019)
Issue 41
.
- pp. 25157-25165.
ISSN 1932-7455
DOI: https://doi.org/10.1021/acs.jpcc.9b06061
Abstract in another language
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.
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Keywords: | Green Rust; Topotactic Transformation; Layerd hydroxides; AB-Initio; Hydrotalcite; Carbonate; Simulation; Fougerite; Minerals; Nife |
| Institutions of the University: | Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry I > Chair Inorganic Chemistry I - Univ.-Prof. Dr. Josef Breu Faculties Faculties > Faculty of Biology, Chemistry and Earth Sciences Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry I |
| Result of work at the UBT: | Yes |
| DDC Subjects: | 500 Science > 540 Chemistry |
| Date Deposited: | 02 Dec 2019 15:31 |
| Last Modified: | 02 Dec 2019 15:31 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/53427 |