Structural phase stability and thermodynamical properties of transition metal complex hydrides Na2MgTMH7 (TM=Sc−Cu) for hydrogen storage applications
S. Kiruthika, P. V. Praveen Sundar, P. Ravindran
Topics & Concepts
Hydrogen storageGround stateFerromagnetismHydrogenDensity functional theoryIonic bondingMulliken population analysisTransition metalEnthalpyChemistryChemical bondCharge densityMaterials scienceThermodynamicsAtomic physicsComputational chemistryCondensed matter physicsIonPhysicsBiochemistryQuantum mechanicsCatalysisOrganic chemistryHydrogen Storage and MaterialsInorganic Chemistry and MaterialsAmmonia Synthesis and Nitrogen Reduction