DFT and BoltzTrap investigations on the thermal and structural characteristics of the perovskite MgCuH3 and MgCoH3
Ayoub Koufi, Younes Ziat, Hamza Belkhanchi, Abdellah Bouzaid
Topics & Concepts
Perovskite (structure)Materials scienceThermalThermodynamicsCondensed matter physicsCrystallographyChemistryPhysicsHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies