Ab-initio calculations for the study of the hydrogen storage properties of CsXH3 (X= Co, Zn) perovskite-type hydrides
Waqar Azeem, Muhammad Khuram Shahzad, Yew Hoong Wong, Muhammad Bilal Tahir
Topics & Concepts
CASTEPHydrogen storagePerovskite (structure)Density functional theoryGravimetric analysisHydrogenMaterials scienceAb initioHydridePhysical chemistryMetalAb initio quantum chemistry methodsHydrogen atomChemistryCrystallographyThermodynamicsComputational chemistryMetallurgyMoleculeOrganic chemistryAlkylPhysicsHydrogen Storage and MaterialsAdvanced battery technologies researchHybrid Renewable Energy Systems