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. 2020 Apr 9;32(9):3753–3764. doi: 10.1021/acs.chemmater.9b04908

Figure 7.

Figure 7

Experimental (main panels) and simulated (insets) STM images of the Ti-modified (1 × 1) surface of Fe2O3(11̅02). At negative sample bias (a), the surface reconstruction appears as a missing zigzag row of O atoms in the topmost layer along the [11̅01̅] direction. At positive sample bias (b), two Fe rows are missing from the top cation layer and are imaged as a dark area surrounded on both sides by isolated point features. The experimental STM images qualitatively match with those simulated assuming the trench defect model. The STM simulations were performed at a constant height (3 Å above the surface) on a (6 × 1) supercell, with Usample = −2 and +2 V in (a) and (b), respectively. The STM images are 9 × 9 nm2.