A first-principles study to investigate the physical properties of Sn-based hydride perovskites XSnH3 (X = K, Li) for hydrogen storage application
M.B. Tahir, Muhammad Usman, Jalil Ur Rehman, Muhammad Bilal Tahir
Topics & Concepts
Hydrogen storageDensity functional theoryHydrideMaterials scienceHydrogenBrittlenessValence (chemistry)Band gapDuctility (Earth science)Electronic band structureThermodynamicsCondensed matter physicsMetalChemistryComputational chemistryMetallurgyPhysicsOptoelectronicsOrganic chemistryCreepHydrogen Storage and MaterialsFuel Cells and Related MaterialsThermal Expansion and Ionic Conductivity