Characterising local environments in high energy density Li-ion battery cathodes: a combined NMR and first principles study of LiFexCo1−xPO4

Author:

Strobridge Fiona C.123,Middlemiss Derek S.123,Pell Andrew J.45,Leskes Michal123,Clément Raphaële J.123,Pourpoint Frédérique123,Lu Zhouguang6789,Hanna John V.101112,Pintacuda Guido45,Emsley Lyndon45,Samoson Ago1011121314,Grey Clare P.123115

Affiliation:

1. Department of Chemistry

2. University of Cambridge

3. Cambridge, UK

4. Centre de RMN à Très Hauts Champs

5. 69100 Villeurbanne, France

6. Laboratory of Green and Renewable Energy Materials

7. Department of Materials Science and Engineering

8. South University of Science and Technology of China

9. Shenzhen, China

10. Department of Physics

11. University of Warwick

12. Coventry, UK

13. Tehnomeedikum

14. Tallinn University of Technology

15. SUNY Stony Brook

Abstract

DFT calculations are used to assign and rationalise the local environments in the 31P NMR spectra of LiFexCo1−xPO4.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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