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Structural and electrochemical consequences of sodium in the transition-metal layer of O'3-Na3Ni1.5TeO6

Authors :
Graeme Henkelman
Yutao Li
Nicholas S. Grundish
Ieuan D. Seymour
Claude Delmas
Jean-Baptiste Sand
John B. Goodenough
Materials Science and Engineering Program and Texas Materials Institute
University of Texas at Austin [Austin]
Department of Chemistry and the Oden Institute for Computational Engineering and Sciences
Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB)
Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
J.B.G. and G.H. acknowledge the support of the Robert A. Welch Foundation, Houston, Texas (grant nos. F-1066 and F-1841). N.S.G. acknowledges financial support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Award No. DE-SC0005397. NMR spectra were collected on a Bruker Avance III HD 400 MHz spectrometer funded by NSF grant CHE-1626211. The authors acknowledge Dr. Mengyu Yan and Prof. Jihui Yang for their assistance in obtaining the in situ X-ray diffraction data and Steve Sorey for his assistance during NMR data acquisition.
Source :
Chemistry of Materials, Chemistry of Materials, American Chemical Society, 2020, 32 (23), pp.10035-10044. ⟨10.1021/acs.chemmater.0c03248⟩
Publication Year :
2020
Publisher :
HAL CCSD, 2020.

Abstract

International audience; Sodium layered oxide cathodes for rechargeable batteries suffer from Na+ ordering and transition-metal layer gliding that lead to several plateaus in their voltage profile. This characteristic hinders their competitiveness as a viable option for commercial rechargeable batteries. In O′3-layered Na3Ni1.5TeO6 (Na5/6[Na1/6Ni3/6Te2/6]O2), Rietveld refinement and solid-state nuclear magnetic resonance spectroscopy show that there is sodium in the transition-metal layer. This sodium within the transition-metal layer provides cation disorder that suppresses Na+ ordering in the adjacent sodium layers upon electrochemical insertion/extraction of sodium. Although this material shows a reversible O′3 to P′3 phase transition, its voltage versus composition profile is typical of traditional lithium layered compounds that have found commercial success. A Ni2+/3+ redox couple of 3.45 V versus Na+/Na is observed with a specific capacity as high as 100 mAh g–1 on the first discharge at a C/20 rate. This material shows good retention of specific capacity, and its rate of sodium insertion/extraction can be as high as a 2C-rating with particle sizes on the order of several micrometers. The structural nuances of this material and their electrochemical implications will serve as guidelines for designing novel sodium layered oxide cathodes.

Details

Language :
English
ISSN :
08974756 and 15205002
Database :
OpenAIRE
Journal :
Chemistry of Materials, Chemistry of Materials, American Chemical Society, 2020, 32 (23), pp.10035-10044. ⟨10.1021/acs.chemmater.0c03248⟩
Accession number :
edsair.doi.dedup.....83945029efa7901763b2a31da5688bc5
Full Text :
https://doi.org/10.1021/acs.chemmater.0c03248⟩