Stability, Elastic Properties, and Deformation of LiBN2: A Potential High-Energy Material.
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DOI: 10.1021/acs.inorgchem.8b00359
Abstract: Searching for high-energy-density materials is of great interest in scientific research and for industrial applications. Using an unbiased structure prediction method and first-principles calculations, we investigated the phase stability of LiBN2 from 0 to100 GPa.… read more here.
Keywords: pnma libn2; energy; high energy; stability elastic ... See more keywords