Effects of vacancies on Mg2NiH4 hydrogen desorption and capture: A first-principles study
Qi Lu, Zongming Shao, Chuanyu Cui, Guangmeng Yang, Xu Long, Hao Yang, Hao Yang
Topics & Concepts
EnthalpyHydrogen storageDehydrogenationHydrogen atomDesorptionChemistryHydrogenAtom (system on chip)Crystal structureCrystallographyDangling bondTransition metalThermodynamicsPhysical chemistryGroup (periodic table)CatalysisAdsorptionPhysicsOrganic chemistryComputer scienceEmbedded systemHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionSuperconductivity in MgB2 and Alloys