"First-Principles Study of LiPON Solid Electrolyte" by Santosh KC

Presentation

First-Principles Study of LiPON Solid Electrolyte

American Physical Society, APS March Meeting 2011 (2011)

Santosh KC, University of Texas at Dallas
Ka Xiong, The University of Texas at Dallas
Kyeongjae Cho, The University of Texas at Dallas

Abstract

There has been much interest in the thin-film solid electrolyte for solid state battery and ionics applications. LiPON is a representative material developed by Oak Ridge National Laboratory [1]. In this work, we use first principles calculations based on the density functional theory to investigate the Li- ion migration mechanisms of LiPON family materials [2]. We investigate atomic structures, electronic structures and defect formation energies of these materials. To determine the migration path of Li diffusion, the activation energies are calculated. This study helps us to understand fundamental mechanisms of Li-ion migration and to improve Li ion conductivity in the solid electrolytes. \\[4pt] [1] Patil et al, Material Research Bulletin, 43 (2008) 1913-1942. \\[0pt] [2] Yaojun A. Du and N. A. W. Holzwarth, Physical Review B, 81 (2010).

Disciplines

Publication Date

March 22, 2011

Citation Information

Santosh KC, Ka Xiong and Kyeongjae Cho. "First-Principles Study of LiPON Solid Electrolyte" American Physical Society, APS March Meeting 2011 (2011)
Available at: http://works.bepress.com/santosh-kc/67/