TY  - JOUR
AU  - Black, Ashley
AU  - Frontera, Carlos
AU  - Torres, Arturo
AU  - Recio-Poo, Miguel
AU  - Rozier, Patrick
AU  - Forero-Saboya, juan
AU  - Faith, Francois
AU  - Urones-Garrote, Esteban
AU  - Arroyo De Dompablo, María Elena
AU  - Palacin, Maria Rosa
PY  - 2022
DO  - 10.1016/j.ensm.2022.02.017
SN  - 2405-8297
UR  - https://hdl.handle.net/20.500.14352/91536
T2  - Energy Storage Materials
AB  - Ca2MnO3.5 and CaV2O4 were found to be potentially interesting as positive electrode materials for calcium metal-based high-energy density batteries with DFT-predicted average voltages of 3.7 V and 2.5 V and energy barriers for Ca migration of 1.1 eV...
LA  - eng
M2  - 354
PB  - Elsevier
KW  - Calcium batteries
KW  - Positive electrode
KW  - Calcium vanadium oxide
KW  - Calcium manganese oxide
KW  - Anion-deficient perovskites
KW  - DFT
TI  - Elucidation of the redox activity of Ca2MnO3. 5 and CaV2O4 in calcium batteries using operando XRD: charge compensation mechanism and reversibility
TY  - journal article
VL  - 47
ER  -