Structure Determination of the Oxygen Evolution Catalyst Mössbauerite

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Structure Determination of the Oxygen Evolution Catalyst Mössbauerite

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Structure Determination of the Oxygen Evolution Catalyst Mössbauerite

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

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

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Svazek periodika

123

Číslo periodika v rámci svazku

41

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

25157-25165

Kód UT WoS článku

000492118400017

EID výsledku v databázi Scopus

2-s2.0-85073153404