Study of structural, electronic, phonon, thermodynamic, and hydrogen storage properties of hydride Rb2AsSnH6 perovskites: DFT insights
Zi Sheng Zang, Xu Lu, Asghar Hussain, Muhammad Khuram Shahzad, Shoukat Hussain, Abhinav Kumar, M.M. Rekha, Binayak Pattanayak, Vineet Tirth, Mohamed Hussien
Topics & Concepts
Hydrogen storageHydridePhononDensity functional theoryHydrogenMaterials scienceThermodynamicsCondensed matter physicsChemistryComputational chemistryPhysicsQuantum mechanicsHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivitySuperconductivity in MgB2 and Alloys