High hydrogen isotopes permeation resistance in (TiVAlCrZr)O multi-component metal oxide glass coating

Developing ceramic coating with high hydrogen isotopes permeation resistance is an urgent task in many fields such as fusion reactor systems, hydrogen storage/transportation, and fuel cell. In this work, a (TiVAl-CrZr)O multi-component metal oxide glass (MCMOG) coating is developed as a new type of hydrogen isotopes permeation barrier (HIPB), and the diffusion behavior of deuterium in MCMOG is studied for the first time. Compared with the deuterium permeation reduction factor (DPRF) of 51 for amorphous alumina coating (at 587 degrees C in 0.65 mu m), the 29 nm dense MCMOG coating has around 27 times en-hancement with DPRF of 1420 at 550 degrees C. Based on first-principles calculations, we show that the sig-nificantly suppressed deuterium permeation in MCMOGs is attributed to the sluggish diffusion of deu-terium arising from the highly rugged energy landscape, which is induced by the diversity of electronic band structures near the Fermi level. In addition, oxygen vacancies strongly affect PRF, where the PRF of the fully oxidized MCMOG layer (29 nm) is around 200 times compared to that of MCMOG with the same thickness containing oxygen vacancies. Therefore, dense MCMOG is a new promising HIPB material. (c) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Automated summary

Developing ceramic coatings with high hydrogen isotopes permeation resistance is crucial in various fields. In this study, a (TiVAl-CrZr)O multi-component metal oxide glass (MCMOG) coating was developed as a new type of hydrogen isotopes permeation barrier. The diffusion behavior of deuterium in MCMOG was investigated, and the results showed that MCMOG has significantly suppressed deuterium permeation due to its rugged energy landscape induced by the diversity of electronic band structures. Oxygen vacancies also strongly affect the permeation reduction factor (PRF) of MCMOG.