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- W2092030399 abstract "The dependence of the charge state of hydrogen as a function of H content in the 1/1 approximant to icosahedral Ti-based quasicrystals (QCs) was studied using a first-principles method based on the density functional theory and norm-conserving pseudopotentials. It was found that the dependence is strong and non-monotonic. Hydrogen diffusion is significantly hindered in QCs with a charged hydrogen atom." @default.
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- W2092030399 date "2008-05-01" @default.
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- W2092030399 title "Correlation between charge state and diffusion of hydrogen in Ti-based quasicrystals" @default.
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- W2092030399 doi "https://doi.org/10.1080/14786430802350686" @default.
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