First-principles investigation of CuO decomposition and its transformation into Cu 2 O
Résumé
This paper reports on the mechanisms of CuO decomposition and its associated phase transformation into Cu2O, as a fundamental step of thermite materials reaction, where CuO serves as the oxidizer. Frenkel pair defects in perfect bulk CuO show extremely high formation energy (>4 eV) indicating that its decomposition initiates at defects/interfaces/surfaces, the
Domaines
Physique [physics]| Origine | Fichiers produits par l'(les) auteur(s) |
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