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Synthesis of Sodium Polyhydrides at High Pressures

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Journal Nat Commun
Specialty Biology
Date 2016 Jul 29
PMID 27464650
Citations 12
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Abstract

The only known compound of sodium and hydrogen is archetypal ionic NaH. Application of high pressure is known to promote states with higher atomic coordination, but extensive searches for polyhydrides with unusual stoichiometry have had only limited success in spite of several theoretical predictions. Here we report the first observation of the formation of polyhydrides of Na (NaH3 and NaH7) above 40 GPa and 2,000 K. We combine synchrotron X-ray diffraction and Raman spectroscopy in a laser-heated diamond anvil cell and theoretical random structure searching, which both agree on the stable structures and compositions. Our results support the formation of multicenter bonding in a material with unusual stoichiometry. These results are applicable to the design of new energetic solids and high-temperature superconductors based on hydrogen-rich materials.

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References
1.
Perdew , Chevary , Vosko , Jackson , Pederson , Singh . Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Phys Rev B Condens Matter. 1992; 46(11):6671-6687. DOI: 10.1103/physrevb.46.6671. View

2.
Perdew , Burke , Ernzerhof . Generalized Gradient Approximation Made Simple. Phys Rev Lett. 1996; 77(18):3865-3868. DOI: 10.1103/PhysRevLett.77.3865. View

3.
Maseras F, Lledos A, Clot E, Eisenstein O . Transition metal polyhydrides: from qualitative ideas to reliable computational studies. Chem Rev. 2001; 100(2):601-36. DOI: 10.1021/cr980397d. View

4.
Ashcroft N . Hydrogen dominant metallic alloys: high temperature superconductors?. Phys Rev Lett. 2004; 92(18):187002. DOI: 10.1103/PhysRevLett.92.187002. View

5.
Babaev E, Sudbo A, Ashcroft N . A superconductor to superfluid phase transition in liquid metallic hydrogen. Nature. 2004; 431(7009):666-8. DOI: 10.1038/nature02910. View