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

oleh: 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

Format: Article
Diterbitkan: Nature Portfolio 2022-10-01

Deskripsi

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.