Doping α-Al2O3 to reduce its hydrogen permeability: Thermodynamic assessment of hydrogen defects and solubility from first principles

Authors

Keywords

Alumina (α-Al, 2, O, 3, ), Density functional theory (DFT), Point defects, Hydrogen embrittlement, Hydrogen permeation barrier

Journal

Volume 169, Issue -, Pages 172-183

Publisher

Elsevier BV

Online

2019-02-22

DOI

10.1016/j.actamat.2019.02.031

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