Tracing the Anharmonicity and Superionic Phase Transition of Hydrous FeO2H
The weak x-ray scattering of hydrogen (H) has brought major challenges to the characterization of superionic transitions in high-pressure ice, hydrides, and hydroxides. Combining first-principles molecular dynamics and simulated nuclear magnetic resonance (NMR) spectroscopy, we investigated the beha...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2022-06-01
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| Series: | Frontiers in Earth Science |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/feart.2022.913122/full |