Reduced oxygen diffusion through beryllium doped platinum electrodes
Using first principles electronic structure calculations we screen nine elements for their potential to retard oxygen diffusion through polycrystalline Pt (p-Pt) films. We determine that O diffuses preferentially as interstitial along Pt grain boundaries (GBs). The calculated barriers are compatible...
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Veröffentlicht in: | Applied physics letters 1999-09, Vol.75 (10), p.1389-1391 |
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description | Using first principles electronic structure calculations we screen nine elements for their potential to retard oxygen diffusion through polycrystalline Pt (p-Pt) films. We determine that O diffuses preferentially as interstitial along Pt grain boundaries (GBs). The calculated barriers are compatible with experimental estimates. We find that Be controls O diffusion through p-Pt. Beryllium segregates to Pt GBs at interstitial (i) and substitutional (s) sites. i-Be is slightly less mobile than O and it repels O, thus stuffing the GB. s-Be has a high diffusion barrier and it forms strong bonds to O, trapping O in the GB. Experiments confirm our theoretical predictions. |
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We determine that O diffuses preferentially as interstitial along Pt grain boundaries (GBs). The calculated barriers are compatible with experimental estimates. We find that Be controls O diffusion through p-Pt. Beryllium segregates to Pt GBs at interstitial (i) and substitutional (s) sites. i-Be is slightly less mobile than O and it repels O, thus stuffing the GB. s-Be has a high diffusion barrier and it forms strong bonds to O, trapping O in the GB. 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We determine that O diffuses preferentially as interstitial along Pt grain boundaries (GBs). The calculated barriers are compatible with experimental estimates. We find that Be controls O diffusion through p-Pt. Beryllium segregates to Pt GBs at interstitial (i) and substitutional (s) sites. i-Be is slightly less mobile than O and it repels O, thus stuffing the GB. s-Be has a high diffusion barrier and it forms strong bonds to O, trapping O in the GB. 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We determine that O diffuses preferentially as interstitial along Pt grain boundaries (GBs). The calculated barriers are compatible with experimental estimates. We find that Be controls O diffusion through p-Pt. Beryllium segregates to Pt GBs at interstitial (i) and substitutional (s) sites. i-Be is slightly less mobile than O and it repels O, thus stuffing the GB. s-Be has a high diffusion barrier and it forms strong bonds to O, trapping O in the GB. Experiments confirm our theoretical predictions.</abstract><doi>10.1063/1.124703</doi><tpages>3</tpages></addata></record> |
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title | Reduced oxygen diffusion through beryllium doped platinum electrodes |
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