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Local structural changes in V-Ti-Cr alloy hydrides with hydrogen absorption/desorption cycling

Ikeda, Kazutaka*; Sashida, Sho*; Otomo, Toshiya*; Oshita, Hidetoshi*; Honda, Takashi*; Hawai, Takafumi*; Saito, Hiraku*; Ito, Shinichi*; Yokoo, Tetsuya*; Sakaki, Koji*; Kim, H.*; Nakamura, Yumiko*; Machida, Akihiko*; Matsumura, Daiju   ; S$l{}$awi$'n$ski, W. A.*

Low-vanadium-concentration alloys have low durability, and their hydrogen absorption and desorption amounts decrease by 20% after 100 cycles. In this study, we conducted reverse Monte Carlo modeling on X-ray diffraction patterns and neutron pair distribution functions of the hydrogen-absorbed and desorbed samples of a V$$_{0.10}$$Ti$$_{0.36}$$Cr$$_{0.54}$$ alloy to analyze the variations in the local structure. The local structure surrounding the hydrogen atom in the hydrogen-absorbed phase exhibited minimal changes. In contrast, hydrogen occupied both tetrahedral and octahedral sites of the hydrogen-desorbed phase almost equally during the early cycles; however, the amount of hydrogen occupying the tetrahedral sites increased with the number of cycles.

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Percentile:43.34

Category:Chemistry, Physical

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