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. 2017 Mar 23;10(4):332. doi: 10.3390/ma10040332

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© 2017 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 (http://creativecommons.org/licenses/by/4.0/).

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3D atomic structure of initial Li-X doped ZnO (LXZO) geometries. Grey (red) balls indicate Zn (O) atoms. Labels Li and X and correspondingly light grey and blue spheres identify the different dopant chemical species. V $_{O}$ and V $_{Z n}$ hosts are obtained by removing the atoms marked by the circle and the star, respectively; V $_{d i m}$ host results from the removal of both atoms.