Structure Determination of the Oxygen Evolution Catalyst Mössbauerite

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F19%3A10403397" target="_blank" >RIV/00216208:11310/19:10403397 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=XF0z.6D49d" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=XF0z.6D49d</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.9b06061" target="_blank" >10.1021/acs.jpcc.9b06061</a>

Result language
angličtina
Original language name
Structure Determination of the Oxygen Evolution Catalyst Mössbauerite
Original language description
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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry

Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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