Oxygen vacancies beyond the dilute limit in doped CaMnO3 perovskites and implications for screening materials in thermochemical applications

Harender S. Dhattarwal, Colin M. Hylton-Farrington, Ian G. McKendry +2

Thermochemical energy storage (TCES) in oxide perovskites relies on reversible oxygen vacancy formation, and computational high-throughput screening of candidate materials has pred…