Molecular dynamics investigation of fast ion transport in oxide frameworks

Abstract

The thesis reports molecular dynamics MD investigation of two families of fast ion conductors namely Na2M2TeO6 where M Ni Zn Co or Mg and Li1 xTi2 xAlx PO4 3 where 0 x 0 67 These are very promising materials for the development of all solid state batteries Chapter 1 provides a survey of fast ion conduction in various matrices highlighting complementary knowledge gained through atomistic simulation Chapter 2 describes the methodology adopted in the present study Chapter 3 propose