Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties

Energy storage technologies are critical in addressing the global challenge of clean sustainable energy. Major advances in rechargeable batteries for portable electronics, electric vehicles and large-scale grid storage will depend on the discovery and exploitation of new high performance materials, which requires a greater fundamental understanding of their properties on the atomic and nanoscopic scales. This review describes some of the exciting progress being made in this area through use of computer simulation techniques, focusing primarily on positive electrode (cathode) materials for lithium-ion batteries, but also including a timely overview of the growing area of new cathode materials for sodium-ion…

• RS
  Royal Society
• UO
  University of Surrey
• EA
  Engineering and Physical Sciences Research Council

  Award: EP/H019596/1