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DFT and BoltzTrap investigations on the thermal and structural characteristics of the perovskite MgCuH3 and MgCoH3

Ayoub Koufi, Younes Ziat, Hamza Belkhanchi, Abdellah Bouzaid

2025Computational Condensed Matter16 citationsDOI

Topics & Concepts

Perovskite (structure)Materials scienceThermalThermodynamicsCondensed matter physicsCrystallographyChemistryPhysicsHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies
DFT and BoltzTrap investigations on the thermal and structural characteristics of the perovskite MgCuH3 and MgCoH3 | Litcius