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. 2017 Nov 1;11(11):11531–11541. doi: 10.1021/acsnano.7b06387

Figure 6.

Figure 6

DFT calculations of water on In2O3(111). (a) One, (b) two, and (c) three dissociated water molecules per surface unit cell. The atoms of the surface are color-coded as in Figure 1. The O atom originating from the water molecule (yellow) and the hydrogen (white) are enlarged in the superimposed images for better visibility. The middle and bottom panel show the STM contrast and the apparent height in line profiles, respectively, calculated using the Bardeen approach.