Doping α-Al2O3 to reduce its hydrogen permeability: thermodynamic assessment of hydrogen defects and solubility from first principles
© 2019 Acta Materialia Inc. This paper assesses the role of doping on the hydrogen permeability and electronic properties of α-Al 2 O 3 . Formation energies of intrinsic and extrinsic defects in α-Al 2 O 3 were calculated using density functional theory. Using these energies as input, a thermodynami...
| Main Authors: | , |
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| Other Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
Elsevier BV,
2020-08-24T15:00:48Z.
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| Subjects: | |
| Online Access: | Get fulltext |