Structure and ionic conduction study on Li3PO4 and LiPON (Lithium phosphorous oxynitride) with the Density-Functional Tight-Binding (DFTB) method
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DOI: 10.1016/j.ssi.2020.115329
Abstract: Abstract In this work we studied the structural and dynamical properties of crystalline and amorphous Li3PO4/LiPON (four different materials) using computational approaches based on the Density-Functional Tight-Binding (DFTB) method. To the best of our knowledge,… read more here.
Keywords: density functional; tight binding; functional tight; dftb method ... See more keywords