Abstract
Room-temperature superconductivity has always been an area of intensive research. Recent findings of clathrate metal hydrides structures have opened up the doors for achieving room-temperature superconductivity in these materials. Here, we report first-principles calculations for stable H-rich clathrate structures of uranium hydrides at high pressures. The clathrate uranium hydrides contain H cages with stoichiometries of H24, H29, and H32, in which H atoms are bonded covalently to other H atoms, and U atoms occupy the centers of the cages. Especially, a UH10 clathrate structure containing H32 cages is predicted to have an estimated Tc higher than 77 K at high pressures.
Original language | English |
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Pages (from-to) | 3946-3950 |
Number of pages | 5 |
Journal | ACS Omega |
Volume | 6 |
Issue number | 5 |
DOIs | |
Publication status | Published - 9 Feb 2021 |
Externally published | Yes |