Magnetic, electrochemical and thermoelectric properties of P2-Nax(Co7/8Sb1/8)O2

M. H.N. Assadi, S. Li, R. K. Zheng, S. P. Ringer, A. B. Yu

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4 Citations (Scopus)

Abstract

We theoretically investigated the electronic, electrochemical and magnetic properties of Sb doped NaxCoO2(x = 1, 0.75 and 0.50). Sb Co dopants adopt 5+ oxidation state in NaxCoO2 host lattice for all Na concentrations (x). Due to high oxidation states, Sb5+ strongly repels Na ions and therefore it decreases the Na +/Na electrochemical potential. The electrons introduced by Sb 5+ localize on nearby Co ions creating Co 2+ species which are absent in undoped NaxCoO2. Co2+ ions reduce the spin entropy flow decreasing the Seebeck coefficient in the Sb doped compounds. The results can be generalized to other dopants with high oxidation state.

Original languageEnglish
Pages (from-to)233-237
Number of pages5
JournalChemical Physics Letters
Volume687
DOIs
Publication statusPublished - 1 Jan 2017

Keywords

  • Density functional theory
  • Magnetism
  • Sodium cobaltate
  • Sodium ion battery
  • Thermoelectric

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