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Fig. 5 Computational investigations of oxygen ion diffusion and electrical conduction in ZnxCo1−xO. Computational investigations of oxygen ion diffusion.

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Presentation on theme: "Fig. 5 Computational investigations of oxygen ion diffusion and electrical conduction in ZnxCo1−xO. Computational investigations of oxygen ion diffusion."— Presentation transcript:

1 Fig. 5 Computational investigations of oxygen ion diffusion and electrical conduction in ZnxCo1−xO.
Computational investigations of oxygen ion diffusion and electrical conduction in ZnxCo1−xO. (A) Migration activation energies of the O vacancy diffusing into bulk ZnxCo1−xO (x = 0) through {100}, {111}, and strained {111} facets (with 3% tensile strain), with the inset showing the O vacancy diffusion path. Color codes: blue and red spheres denote cobalt and oxygen atoms, respectively, and yellow spheres denote diffusing O vacancy. (B) The DOS on pristine and Zn-doped CoO. The arrow points out new electronic states, which appear in the bandgap of Zn-doped CoO, demonstrating the importance of atomic Zn2+ doping in promoting the electrical conduction in ZnxCo1−xO. Tao Ling et al. Sci Adv 2018;4:eaau6261 Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

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