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. 2023 Feb 2;16(3):1275. doi: 10.3390/ma16031275

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© 2023 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Zn:ZnO supercells used on DFT calculations and high symmetry $O_{2}$ adsorption positions: (a) 5×1Zn(010):4×1ZnO( $10 \bar{1} 0$ ; (b) 5×5Zn(001):4×4ZnO(0001); (c) hollow adsorption position; (d) bridge adsorption position. Gray and red spheres correspond to Zn and O atoms, respectively.