Novel MgBH3 (B = Al, Si, P, S) perovskites Predicted via DFT for high-performance solid hydrogen systems
Sana Zafar, Rukhsar Fatima, S.S.A. Gillani, Musharraf Zaman, B Albadarin Ahmad, Daud Akhtar
Topics & Concepts
Materials sciencePerovskite (structure)Solid solutionHydrogenCrystallographyPhysical chemistryEngineering physicsMetallurgyQuantum mechanicsPhysicsChemistryHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysThermal Expansion and Ionic Conductivity