Projects per year
Abstract
Olivine-type phosphates have attracted considerable attention as cathode materials for rechargeable lithium batteries. Here, the defect and ion transport properties of the mixed-metal material LiFe0.5Mn0.5PO4 are investigated by atomistic modeling methods. The intrinsic defect type with the lowest energy is the cation antisite defect, in which Li and Fe/Mn ions exchange positions. As found in the LiFePO4 material, lithium ion diffusion in the mixed-metal system occurs down the b-axis channels following a curved path. Migration energies for Fe and Mn antisite cations on Li sites suggest that Mn defects Would Impede bulk Li mobility in LiFe0.5Mn0.5PO4 to a greater extent than Fe antisite defects in LiFePO4. Association or binding energies for various defect Clusters comprised of lithium vacancies and/or antisite cations arc examined.
Original language | English |
---|---|
Pages (from-to) | 1242-1248 |
Number of pages | 7 |
Journal | Chemistry of Materials |
Volume | 22 |
Issue number | 3 |
DOIs | |
Publication status | Published - Jan 2010 |
Fingerprint
Dive into the research topics of 'Anti-Site Defects and Ion Migration in the LiFe0.5Mn0.5PO4 Mixed-Metal Cathode Material'. Together they form a unique fingerprint.Projects
- 2 Finished
-
Supergen Core Renewal - E-Storage
Islam, S. (PI) & Dunn, R. (CoI)
Engineering and Physical Sciences Research Council
15/02/10 → 14/08/14
Project: Research council
-
THE ENERGY STORAGE CONSORTIUM - SUPERGEN LINKED WITH EE191X COLLABORATION - SUPERGEN CONSORTIUM WITH OTHER UNIS
Islam, S. (PI)
Engineering and Physical Sciences Research Council
14/02/06 → 13/10/10
Project: Research council