Hybridizing Li@Mn6 and Sb@Ni6 superstructure units to tune the electrochemical performance of Li-rich layered oxides

Li，Yiwei1; Xie，Lin2; Zheng，Ze1; Yin，Zu Wei1; Li，Jianyuan1,4; Weng，Mouyi1; Liu，Jiajie1; Hu，Jiangtao1; Yang，Kai1; Qian，Guoyu1; Cao，Bo1; Li，Zhibo1; Xu，Shenyang1; Zhao，Wenguang1; Li，Shunning1; Sun，Junliang4; Zhang，Mingjian1,3; Pan，Feng1

2020-11-01

10.1016/j.nanoen.2020.105157

Nano Energy   影响因子和分区

2211-2855

2211-3282

Li@Mn superstructure units from the model compound LiMnO, i.e., six MnO octahedra linked like a ring (Mn) with a central LiO octahedron, could provide extra capacity when composited with other transition metal octahedra (TMO) structure units in Li and Mn-rich TM layered oxides, xLiMnO·(1-x)LiTMO, one of the most promising high-energy-density cathodes. Nevertheless, it suffers serious capacity and voltage fade due to the unstable local oxygen environment in the basic superstructure unit Li@Mn. Herein, a new Li-rich layered oxide cathode, Li(LiMnNiSb)O, was designed and synthesized by compositing Li@Mn with a similar superstructure unit Sb@Ni. Complementary structural/chemical analysis combining with the electronic structure calculations reveal that, the uniform mixing of these two superstructure units at the atomic level has been firstly accomplished in TM layers, which introduces a large amount of boundaries between Li@Mn and Sb@Ni super-units, thus greatly enriching the local oxygen environments, and reducing the energy barrier of Li diffusion. Therefore, the better electrochemical performance, especially the superb cycling stability with the larger capacity (double that of Li(NiSb)O) is implemented. It provides another route to design new Li-rich layered oxides with the better cycling stability by modifying local oxygen environments.

Composited Li-Rich layered cathode Electronic structure calculation Local oxygen environment Superstructure unit

SCI ; EI

英语

其他

National Key R&D Program of China[2016YFB0700600] ; Soft Science Research Project of Guangdong Province[2017B030301013] ; Shenzhen Science and Technology Research Grant[ZDSYS201707281026184] ; Basic Research Program of Shenzhen in China[JCYJ20190809145205497] ; DOE Office of Science[DE-ACO2-06CH11357]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied

WOS:000581738300051

ELSEVIER

20203108996857

Cathodes ; Electronic structure ; Transition metals ; Manganese compounds ; Lithium compounds

Metallurgy and Metallography:531 ; Chemical Products Generally:804

2-s2.0-85088634117

Scopus

1.School of Advanced Materials,Peking University,Shenzhen Graduate School,Shenzhen,518055,China
2.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China
3.Center for Advanced Radiation Source (ChemMatCARS),The University of Chicago,Argonne,60439,United States
4.College of Chemistry and Molecular Engineering,Peking University,Beijing,100871,China

Li，Yiwei,Xie，Lin,Zheng，Ze,et al. Hybridizing Li@Mn6 and Sb@Ni6 superstructure units to tune the electrochemical performance of Li-rich layered oxides[J]. Nano Energy,2020,77.

Li，Yiwei.,Xie，Lin.,Zheng，Ze.,Yin，Zu Wei.,Li，Jianyuan.,...&Pan，Feng.(2020).Hybridizing Li@Mn6 and Sb@Ni6 superstructure units to tune the electrochemical performance of Li-rich layered oxides.Nano Energy,77.

Li，Yiwei,et al."Hybridizing Li@Mn6 and Sb@Ni6 superstructure units to tune the electrochemical performance of Li-rich layered oxides".Nano Energy 77(2020).