期刊
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
卷 45, 期 31, 页码 15571-15577出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2020.04.025
关键词
Hydrogen storage; Irradiation; Defect; Positron annihilation spectroscopy; First-principles calculations
资金
- National Natural Science foundation of China [11475193, 11505192, U1732265, 11775235, 11775236, 11505205, 11675188]
- China Post-doctoral Science Foundation [2019M660795]
- China Scholarship Council
Here, the storage sites of hydrogen in FeCr alloy, namely (H, He)-V nano-clusters with open volume, have been investigated by first-principles calculations and positron annihilation spectroscopy. The positron lifetimes in the nano-clusters obtained by theoretical calculations and experiments were compared. These results suggest that positron is sensitive to the relative position of the gas atoms decorating the open volume; and a helium atom forms a more repulsive ion core than a hydrogen atom when it occupies the vacancy, resulting in a decrease in positron lifetime. Interpretation of the PAS data was successfully combined with theoretical calculations, and allowed us to determine the defect status in specimens after H/He irradiation with different implantation patterns. The speculated kinds of hydrogen storage sites formed after irradiation are summarized. For the He-ions pre-implanted situation, the helium-vacancy clusters or bubbles forming in advance may recombine with H atoms to form stable He-H-V complex. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
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