Theoretical study on the structural evolution and hydrogen storage in NbHn (n = 2–15) clusters
Wenli Zhou, Siyu Jin, Wei Dai, Jonathan T. Lyon, Cheng Lü
Topics & Concepts
Hydrogen storageNiobiumDensity functional theoryHydrogenCluster (spacecraft)StackingChemical physicsAdsorptionMetalBinding energyChemistryMaterials scienceCrystallographyAtomic physicsPhysical chemistryComputational chemistryPhysicsMetallurgyOrganic chemistryComputer scienceProgramming languageSuperconductivity in MgB2 and AlloysHydrogen Storage and MaterialsAdvanced Chemical Physics Studies