First-principles study of the atomic volume of hydrogen in palladium
Samaneh Sadat Setayandeh, Tim Gould, Aminollah Vaez, K.G. McLennan, Nicolas Armanet, Evan Gray
Topics & Concepts
TetrahedronChemistryDensity functional theoryOctahedronAb initioLattice constantNeutron diffractionHydrogenInterstitial defectThermodynamicsAb initio quantum chemistry methodsLattice (music)PalladiumCrystallographyComputational chemistryDiffractionCrystal structureCondensed matter physicsMoleculePhysicsDopingQuantum mechanicsCatalysisBiochemistryAcousticsOrganic chemistryHydrogen Storage and MaterialsAdvanced Chemical Physics StudiesNuclear Materials and Properties