ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


First principles simulations of Li ion migration in materials related to LiPON electrolytes

Date: 04.10.2009
Place: 216th Biannual Meeting of the Electrochemical Society, Vienna, Austria

Yaojun Du

Lithium phosphorous oxynitride (LiPON) films were developed at Oak Ridge National Laboratory as very promising solid state electrolytes for use in rechargeable batteries and other applications. The films have variable composition (Li3+xPO4-yN(x+2y)/3) and a variety of internal structures. In order to understand and optimize their structural and electrolyte properties, we have used first principles calculations to analyze idealized models of LiPON materials.

Supporting information:

« back