Nature Communications (Oct 2022)

Real-space measurement of orbital electron populations for Li1-x CoO2

  • Tongtong Shang,
  • Dongdong Xiao,
  • Fanqi Meng,
  • Xiaohui Rong,
  • Ang Gao,
  • Ting Lin,
  • Zhexin Tang,
  • Xiaozhi Liu,
  • Xinyan Li,
  • Qinghua Zhang,
  • Yuren Wen,
  • Ruijuan Xiao,
  • Xuefeng Wang,
  • Dong Su,
  • Yong-Sheng Hu,
  • Hong Li,
  • Qian Yu,
  • Ze Zhang,
  • Vaclav Petricek,
  • Lijun Wu,
  • Lin Gu,
  • Jian-Min Zuo,
  • Yimei Zhu,
  • Ce-Wen Nan,
  • Jing Zhu

DOI
https://doi.org/10.1038/s41467-022-33595-0
Journal volume & issue
Vol. 13, no. 1
pp. 1 – 8

Abstract

Read online

Experimentally probing the orbital population is highly desirable to resolve the redox mechanism of cathodes materials. Here the authors quantify the orbital populations of Co and O in LiCoO2 and identify the ligand-to-metal charge transfer.