The predicted crystal structure of Li4C6O6, an organic cathode material for Li-ion batteries, from first-principles multi-level computational methods

Dong-Hwa Seo, Hyungjun Kim, Haegyeom Kim, William A. Goddard, Kisuk Kang
  • Energy & Environmental Science, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c1ee02410h