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- W1991192717 abstract "Abstract Inter-diffusion between vanadium and palladium coating layers in vanadium-based hydrogen separation membranes is investigated by using a computational approach based on first-principles calculations and semi-empirical atomistic simulations, paying attention to the surface stability and the prevention of the degradation of hydrogen permeability. It is found that the governing mechanism of the inter-diffusion is the grain boundary diffusion, and therefore a diffusion barrier based on the grain boundary segregation of impurities can be an efficient way to inhibit the inter-diffusion that causes the degradation. An interesting aspect in previous experimental works that showed a good resistance to the inter-diffusion by an addition of a trace amount of yttrium is discussed from the view point of the grain boundary segregation. An experiment that proves the validity of the present alloy design scheme (inhibition of inter-diffusion using grain boundary segregation) is carried out, and a process to maximize the sustainability of the membrane is also proposed." @default.
- W1991192717 created "2016-06-24" @default.
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- W1991192717 date "2014-08-01" @default.
- W1991192717 modified "2023-10-01" @default.
- W1991192717 title "Design of sustainable V-based hydrogen separation membranes based on grain boundary segregation" @default.
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- W1991192717 doi "https://doi.org/10.1016/j.ijhydene.2014.06.023" @default.
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