Abstract

LEIVA, Naviana; BLANCO, Mario; PALENQUE, Eduardo  and  CABRERA, Saúl. Síntesis de compuestos LiTi₂ (PO₄)₃ tipo NaSICON con Silicio y Boro para su evaluación como Electrolito Sólido. Rev. Bol. Quim [online]. 2022, vol.39, n.3, pp.1-14. ISSN 0250-5460.  https://doi.org/10.34098/2078-3949.39.3.1.

Compounds with a NaSICON (Sodium Superionic Conductor) type structure LiTi2(PO4)3 with silicon and boron in their structure have been synthesized by solid-state reactions. The composition stoichiometry is Li4Ti2P3SiB3O with a glass-ceramic type structure. It was possible to maintain and optimize the majority formation of the ion-conducting crystalline phase by regulation of TiO2 and H3PO4 at synthesis temperatures below 1000°C. This was achieved by rigorous temperature control during slow cooling to obtain the phase of interest, considering boron as flux and network former, at temperatures of 600°C, 700°C and 800°C. These phases have been structurally and microstructurally characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM). Structural analysis using the Rietveld method and Fourier maps show that the final compound crystallizes with a NaSICON-type Rombohedral structure. Additionally, the computational calculation of the thermodynamic properties has been carried out to obtain the LiTi2 (PO4)3 and LiTiOPO4 phases by DFT for the prediction of the synthesis temperature, obtaining a theoretical value of 695 °C that were compared with the experimental results of 700°C.

Keywords : Solid electrolyte; quenching; NaSICON; Rietveld Refinement.

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