An unnoticed inorganic solid electrolyte: dilithium sodium phosphate with the nalipoite structure

María C López; Gregorio F Ortiz; Elena M Arroyo-de Dompablo; José L Tirado

doi:10.1021/ic4030537

An unnoticed inorganic solid electrolyte: dilithium sodium phosphate with the nalipoite structure

Inorg Chem. 2014 Feb 17;53(4):2310-6. doi: 10.1021/ic4030537. Epub 2014 Feb 6.

Authors

María C López¹, Gregorio F Ortiz, Elena M Arroyo-de Dompablo, José L Tirado

Affiliation

¹ Inorganic Chemistry Laboratory, University of Córdoba , Campus of Rabanales, Marie Curie Building, Cordoba E-14071, Spain.

PMID: 24527686
DOI: 10.1021/ic4030537

Abstract

Solid electrolytes are crucial in the development of advanced lithium batteries and related technologies. Orthorhombic Li2NaPO4 (nalipoite) was synthesized, and its ionic conductivity compared very favorably with that of Li3PO4. The potential applicability of Li(3-x)Na(x)PO4 as a lithium ion solid electrolyte was investigated for first time. First-principles DFT calculations were used to evaluate the possibilities of preparing other crystal structures.