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. 2024 Nov 4;25(1):2423600. doi: 10.1080/14686996.2024.2423600

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© 2024 The Author(s). Published by National Institute for Materials Science in partnership with Taylor & Francis Group.

This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial License (http://creativecommons.org/licenses/by-nc/4.0/), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited. The terms on which this article has been published allow the posting of the Accepted Manuscript in a repository by the author(s) or with their consent.

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Figure 3. — Theoretical IPs and EAs for 2195 nonpolar surfaces of binary oxides obtained using non-self-consistent dielectric-dependent hybrid functional calculations. A comparison with reported experimental values is given in the lower panel, where the negatives of the IPs and EAs corresponding to the valence band maxima and conduction band minima against the vacuum level, respectively, are plotted. The experimental values are indicated by horizontal solid and broken bars. The theoretical values for various polymorphs and surface orientations are included when the experimentally investigated crystal structures and/or surface orientations have not been specified. Reprinted from ref. [49] under a creative commons attribution 4.0 international license.