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Hydrogen Clathrate Structures in Uranium Hydrides at High Pressures.

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 T _c higher than 77 K at high pressures.

SUBMITTER: Wang XH

PROVIDER: S-EPMC7906488 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature

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Hydrogen Clathrate Structures in Uranium Hydrides at High Pressures.

Wang Xiao-Hui XH Zheng Fa-Wei FW Gu Zhuo-Wei ZW Tan Fu-Li FL Zhao Jian-Heng JH Liu Cang-Li CL Sun Cheng-Wei CW Liu Jian J Zhang Ping P

ACS omega 20210128 5

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 b ...[more]

PMID: 33644531

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