First-principles investigation of CuO decomposition and its transformation into Cu 2 O - LAAS - Laboratoire d'Analyse et d'Architecture des Systèmes Accéder directement au contenu
Article Dans Une Revue Physical Review Materials Année : 2022

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
Fichier principal
Vignette du fichier
Manuscript.pdf (1.17 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03796786 , version 1 (04-10-2022)

Identifiants

Citer

Hicham Jabraoui, Mehdi Djafari Rouhani, Carole Rossi, Alain Estève. First-principles investigation of CuO decomposition and its transformation into Cu 2 O. Physical Review Materials, 2022, 6 (9), pp.096001. ⟨10.1103/PhysRevMaterials.6.096001⟩. ⟨hal-03796786⟩
34 Consultations
99 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More