Identification of O-rich structures on platinum(111)-supported ultrathin iron oxide films

Merte, Lindsay R.; Bai, Yunhai; Zeuthen, Helene; Peng, Guowen; Lammich, Lutz; Besenbacher, Flemming; Mavrikakis, Manos; Wendt, Stefan

doi:10.1016/j.susc.2015.12.031

Identification of O-rich structures on platinum(111)-supported ultrathin iron oxide films

Journal Article · Wed Jan 06 00:00:00 EST 2016 · Surface Science

DOI:https://doi.org/10.1016/j.susc.2015.12.031· OSTI ID:1397266

Merte, Lindsay R. ^[1]; Bai, Yunhai ^[2]; Zeuthen, Helene ^[3]; Peng, Guowen ^[2]; Lammich, Lutz ^[3]; Besenbacher, Flemming ^[3]; Mavrikakis, Manos ^[2]; Wendt, Stefan ^[3]

Aarhus Univ., Aarhus (Denmark); Department of Chemical and Biological Engineering, University of Wisconsin-Madison
Univ. of Wisconsin-Madison, Madison, WI (United States)
Aarhus Univ., Aarhus (Denmark)

Using high-resolution scanning tunneling microscopy (STM) we have studied the oxidation of ultrathin FeO films grown on Pt(111). At the initial stage of the FeO film oxidation by atomic oxygen exposure, we identified three distinct types of line defects, all of which form boundaries between FeO domains of opposite orientation. Two types of line defects appearing bright (type-i) and dark (type-ii) in the STM images at typical scanning parameters are “metallic”, whereas the third line defect exhibits nonmetallic behavior (type-iii). Atomic-scale structure models of these line defects are proposed, with type-i defects exhibiting 4-fold coordinated Fe atoms, type-ii exhibiting 2-fold coordinated O atoms, and type-iii exhibiting tetrahedrally-coordinated Fe atoms. In addition, FeO₂ trilayer islands are formed upon oxidation, which appear at FCC-type domains of the moiré structure. At high scanning bias, distinct protrusions on the trilayer islands are observed over surface O ions, which are assigned to H adatoms. The experimental data are supported by density functional theory (DFT) calculations, in which bare and hydroxylated FeO₂ trilayer islands are compared. Finally, we compare the formation of O-rich features on continuous FeO films using atomic oxygen with the oxidation of Pt(111)-supported FeO islands accomplished by O₂ exposure.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Wisconsin-Madison, Madison, WI (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Contributing Organization:: DoD High Performance Computing Modernization Program (US Air Force Research Laboratory DoD Supercomputing Resource Center (AFRL DSRC), the US Army Engineer Research and Development Center (ERDC), and the Navy DoD Supercomputing Resource Center (Navy DSRC); EMSL; the Center for Nanoscale Materials at Argonne National Laboratory (ANL); the National Energy Research Scientific Computing Center (NERSC)

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357; FG02-05ER15731

OSTI ID:: 1397266

Alternate ID(s):: OSTI ID: 1398118

Journal Information:: Surface Science, Journal Name: Surface Science Journal Issue: C Vol. 652; ISSN 0039-6028

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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