Identification of Two-Dimensional FeO2 Termination of Bulk Hematite α‑Fe2O3(0001) Surface

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F19%3APU133496" target="_blank" >RIV/00216305:26620/19:PU133496 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.9b00244" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.9b00244</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.9b00244" target="_blank" >10.1021/acs.jpcc.9b00244</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Identification of Two-Dimensional FeO2 Termination of Bulk Hematite α‑Fe2O3(0001) Surface

Popis výsledku v původním jazyce

Iron oxides are among the most abundant compounds on Earth and have been exploited and researched extensively. Knowing the atomic structure of their surfaces is essential for the understanding and control of their catalytic properties, electronic character, and spin arrangement. By the combination of atomically resolved microscopy, electron diffraction, and surface-sensitive spectroscopies, we examine the oxygen-rich superstructure grown on an alpha-Fe2O3 (0001) hematite surface and reveal a continuous two-dimensional layer of iron dioxide, structurally analogous to transition metal dichalcogenides. Using total-energy density functional simulation to optimize an atomic model of the superstructure, we identify it as antiferromagnetic and conductive 1T-FeO2 attached on half-metal terminated bulk. These results open the way to the identification of epitaxial 2D layers on other similar metal-oxide surfaces and to a better understanding of their catalytic activity.

Název v anglickém jazyce

Identification of Two-Dimensional FeO2 Termination of Bulk Hematite α‑Fe2O3(0001) Surface

Popis výsledku anglicky

Iron oxides are among the most abundant compounds on Earth and have been exploited and researched extensively. Knowing the atomic structure of their surfaces is essential for the understanding and control of their catalytic properties, electronic character, and spin arrangement. By the combination of atomically resolved microscopy, electron diffraction, and surface-sensitive spectroscopies, we examine the oxygen-rich superstructure grown on an alpha-Fe2O3 (0001) hematite surface and reveal a continuous two-dimensional layer of iron dioxide, structurally analogous to transition metal dichalcogenides. Using total-energy density functional simulation to optimize an atomic model of the superstructure, we identify it as antiferromagnetic and conductive 1T-FeO2 attached on half-metal terminated bulk. These results open the way to the identification of epitaxial 2D layers on other similar metal-oxide surfaces and to a better understanding of their catalytic activity.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

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 (print)

ISSN

1932-7447

e-ISSN

1932-7455

Svazek periodika

123

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

14312-14318

Kód UT WoS článku

000471834000024

EID výsledku v databázi Scopus

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