Atomistic Simulation of Lithium-Ion Diffusion in (Li,Al)-Spinel Solid Lithium Electrolytes

Project: Research-related funding

Project Details


8050 kAUs compute time for ARCHER HPC facility.
Time awarded for the development and testing of a first-principles-derived interatomic potential for (Li,Al)-doped MgAl2O4 spinel. This is the parent material for new spinel-structured solid lithium-ion electrolytes
Short title4508
Effective start/end date1/02/1631/07/16

RCUK Research Areas

  • Energy Storage

Research Output

Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4

O'Rourke, C. & Morgan, B., 17 Apr 2018, In : Physical Review Materials. 2, 4, p. 1-13 13 p., 045403.

Research output: Contribution to journalArticle

Open Access
  • 5 Citations (Scopus)
    25 Downloads (Pure)