Dynamical stabilization and H-vacancy diffusion kinetics of lightweight complex hydrides: Ab initio study for hydrogen storage improvement
Prayoonsak Pluengphon, Prutthipong Tsuppayakorn‐aek, Wiwittawin Sukmas, Burapat Inceesungvorn, Thiti Bovornratanaraks
Topics & Concepts
Hydrogen storageVacancy defectAb initioHydrogenGravimetric analysisMaterials scienceDiffusionDensity functional theoryStructural stabilityThermodynamicsKineticsAb initio quantum chemistry methodsChemical physicsComputational chemistryChemistryCrystallographyMoleculePhysicsStructural engineeringQuantum mechanicsOrganic chemistryEngineeringHydrogen Storage and MaterialsNuclear Materials and PropertiesHybrid Renewable Energy Systems