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The formation energies of hydrogen (H) defects at tetrahedral and octahedral interstitial sites in a pyrochlore-type yttrium–titanium oxide (Y2Ti2O7) were calculated using density functional theory. The results were compared with the corresponding energies of H and helium (He) defects in iron (Fe) with a body-centered cubic (bcc) crystal structure and Y2Ti2O7 interstitial and substitutional sites...
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