Spin-polarized DFT calculations of elemental effects on hydrogen atom adsorption on FeCrAl (1 1 0) surface
Xiaojing Li, Yu Ma, Wenzhong Zhou, Zhao Liu
Topics & Concepts
AdsorptionHydrogenDensity functional theoryCladding (metalworking)Materials scienceHydrogen atomAtom (system on chip)AlloyZirconiumPhysical chemistryChemistryComputational chemistryMetallurgyOrganic chemistryGroup (periodic table)Embedded systemComputer scienceNuclear Materials and PropertiesHydrogen Storage and MaterialsFusion materials and technologies