Adsorption and dissociation of high-pressure hydrogen on Fe (100) and Fe2O3 (001) surfaces: Combining DFT calculation and statistical thermodynamics
Meifeng Li, Hao Zhang, Yimin Zeng, Jing Liu
Topics & Concepts
Supercritical fluidAdsorptionDissociation (chemistry)Materials scienceThermodynamicsDensity functional theoryHydrogenHydrogen storageHydrogen embrittlementPhysical chemistryComputational chemistryChemistryPhysicsOrganic chemistryHydrogen embrittlement and corrosion behaviors in metalsCorrosion Behavior and InhibitionNuclear Materials and Properties