Identification of two-dimensional FeO.sub.2./sub. termination of bulk hematite alpha-Fe.sub.2./sub.O.sub.3./sub.(0001) surface

0517446 - FZÚ 2020 RIV US eng J - Journal Article
López, Roso Redondo Jesús R. - Lazar, P. - Procházka, P. - Průša, S. - Mallada Faes, Benjamin Jose - Cahlík, Aleš - Lachnitt, J. - Berger, Jan - Šmíd, B. - Kormos, L. - Jelínek, Pavel - Čechal, J. - Švec, Martin
Identification of two-dimensional FeO₂ termination of bulk hematite alpha-Fe₂O₃(0001) surface.
Journal of Physical Chemistry C. Roč. 123, č. 23 (2019), s. 14312-14318. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR GJ17-24210Y
Institutional support: RVO:68378271
Keywords : oxide-films * in-situ * iron * oxygen * atmosphere * catalysis * growth
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.189, year: 2019
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcc.9b00244

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.
Permanent Link: http://hdl.handle.net/11104/0302754