Design of sustainable V-based hydrogen separation membranes based on grain boundary segregation
SCIE
SCOPUS
- Title
- Design of sustainable V-based hydrogen separation membranes based on grain boundary segregation
- Authors
- Ko, WS; Oh, JY; Shim, JH; Suh, JY; Yoon, WY; Lee, BJ
- Date Issued
- 2014-08-04
- Publisher
- ELSEVIER
- 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. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/107979
- DOI
- 10.1016/J.IJHYDENE.2014.06.023
- ISSN
- 0360-3199
- Article Type
- Article
- Citation
- International Journal of Hydrogen Energy, vol. 39, no. 23, page. 12031 - 12044, 2014-08-04
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