Current lithium ion batteries are facing not only a sustainability issue but also an energy density mismatch issue between the cathode and anode. There is a sufficient need to look for alternate materials for this purpose, one such material being V2O5. On top of being able to host lithium it can also host more terrestrially abundant ions such as: Na, Mg, Zn, Ca, K and Al. V2O5 however can exist in a variety of structural phases subject to different conditions. Structural phase transitions can be detrimental to battery operation. We explore the structural and energetic properties of these various phases using simulations based on density function theory (DFT).
|Type of contribution||Oral contribution (10 minutes)|