Design of sustainable V-based hydrogen separation membranes based on grain boundary segregation
- Authors
- Ko, Won-Seok; Oh, Ju-Young; Shim, Jae-Hyeok; Suh, Jin-Yoo; Yoon, Woo Young; Lee, Byeong-Joo
- Issue Date
- 4-8월-2014
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Keywords
- Hydrogen separation membranes; Inter-diffusion; Grain boundary segregation; Atomistic simulations; Vanadium alloy
- Citation
- INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, v.39, no.23, pp.12031 - 12044
- Indexed
- SCIE
SCOPUS
- Journal Title
- INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Volume
- 39
- Number
- 23
- Start Page
- 12031
- End Page
- 12044
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/97715
- DOI
- 10.1016/j.ijhydene.2014.06.023
- ISSN
- 0360-3199
- 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.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - College of Engineering > Department of Materials Science and Engineering > 1. Journal Articles
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.