Doping α-Al2O3 to reduce its hydrogen permeability: Thermodynamic assessment of hydrogen defects and solubility from first principles
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DOI: 10.1016/j.actamat.2019.02.031
Abstract: Abstract This paper assesses the role of doping on the hydrogen permeability and electronic properties of α-Al2O3. Formation energies of intrinsic and extrinsic defects in α-Al2O3 were calculated using density functional theory. Using these energies… read more here.
Keywords: hydrogen; hydrogen permeability; solubility; defect concentrations ... See more keywords