Publication result detail

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

REDONDO, J.; LAZAR, P.; PROCHÁZKA, P.; PRŮŠA, S.; MALLADA, B.; CAHLÍK, A.; LACHNITT, J.; BERGER, J.; ŠMÍD, B.; KORMOŠ, L.; JELÍNEK, A.; ČECHAL, J.; ŠVEC, M.

Original Title

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

English Title

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

Type

WoS Article

Original Abstract

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.

English abstract

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.

Keywords

OXIDE-FILMS; IN-SITU; IRON; OXYGEN; ATMOSPHERE; DEPENDENCE; REDUCTION; CATALYSIS; PHASES; GROWTH

Key words in English

OXIDE-FILMS; IN-SITU; IRON; OXYGEN; ATMOSPHERE; DEPENDENCE; REDUCTION; CATALYSIS; PHASES; GROWTH

Authors

REDONDO, J.; LAZAR, P.; PROCHÁZKA, P.; PRŮŠA, S.; MALLADA, B.; CAHLÍK, A.; LACHNITT, J.; BERGER, J.; ŠMÍD, B.; KORMOŠ, L.; JELÍNEK, A.; ČECHAL, J.; ŠVEC, M.

RIV year

2020

Released

13.06.2019

ISBN

1932-7447

Periodical

Journal of Physical Chemistry C

Volume

123

Number

23

State

United States of America

Pages from

14312

Pages to

14318

Pages count

7

URL

https://pubs.acs.org/doi/10.1021/acs.jpcc.9b00244

BibTex

@article{BUT158998,
  author="Jesús {Redondo} and Petr {Lazar} and Pavel {Procházka} and Stanislav {Průša} and Benjamin {Mallada} and Aleš {Cahlík} and Jan {Lachnitt} and Jan {Berger} and Břetislav {Šmíd} and Lukáš {Kormoš} and Pavel {Jelínek} and Jan {Čechal} and Martin {Švec}",
  title="Identification of Two-Dimensional FeO2 Termination of Bulk Hematite α‑Fe2O3(0001) Surface",
  journal="Journal of Physical Chemistry C",
  year="2019",
  volume="123",
  number="23",
  pages="14312--14318",
  doi="10.1021/acs.jpcc.9b00244",
  issn="1932-7447",
  url="https://pubs.acs.org/doi/10.1021/acs.jpcc.9b00244"
}