First-principles investigation for the hydrogen storage, mechanical, electronic, optical, dynamic, and thermodynamic properties of XMnH3 (X=Na, K, Rb) perovskites for hydrogen storage applications
Ruijie Song, Nanlin Xu, Yan Chen, Shanjun Chen, Wei Dai, Weibin Zhang
Topics & Concepts
Hydrogen storageIonic bondingMaterials scienceThermodynamicsHydrogenDensity functional theoryDielectricChemistryPhysical chemistryComputational chemistryIonOptoelectronicsOrganic chemistryPhysicsHydrogen Storage and MaterialsMXene and MAX Phase MaterialsAdvanced Battery Materials and Technologies