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Published in 2019 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.12.272
Abstract: Abstract By means of first-principles calculations based on the density-functional theory, we investigate the vacancy trappings prevent hydrogen damage in two dimension α-Cr2O3/α-Fe2O3 (0 0 0 1) interface structure. Our calculations show that H atoms prefer to occupy…
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Keywords:
hydrogen;
hydrogen damage;
prevent hydrogen;
interface ... See more keywords