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Na7V3(P2O7)(4) as a high voltage electrode material for Na-ion batteries: crystal structure and mechanism of Na+ extraction/insertion by operando X-ray diffraction

Abstract : The crystal chemistry and the electrochemical properties of Na7V3(P2O7)(4) as a high voltage cathode material upon Na+ extraction/insertion were investigated. The crystal structure was solved and refined for the first time from single crystal X-ray diffraction data. Possible sodium migration pathways were determined using the bond valence energy landscape (BVEL) method based on the bond valence theory. The electrochemical behavior of the material in a wide voltage range demonstrates the activity of the V3+/V4+, V4+/V5+, and V3+/V2+ redox couples. The reversible capacity of the Na7V3(P2O7)(4) electrode is hence increased up to 118 mA h g(-1)vs. Na+/Na. Sodium extraction/insertion mechanisms are examined by operando X-ray diffraction, which provides direct information on the evolution of the material in nonequilibrium states upon electrochemical oxidation and reduction processes.
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https://hal-u-picardie.archives-ouvertes.fr/hal-03611088
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Soumis le : mercredi 16 mars 2022 - 18:57:07
Dernière modification le : mardi 27 septembre 2022 - 04:18:00

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Vadim M. Kovrugin, Jean-Noel Chotard, Francois Fauth, Christian Masquelier. Na7V3(P2O7)(4) as a high voltage electrode material for Na-ion batteries: crystal structure and mechanism of Na+ extraction/insertion by operando X-ray diffraction. Journal of Materials Chemistry A, Royal Society of Chemistry, 2020, 8 (40), pp.21110-21121. ⟨10.1039/d0ta06230h⟩. ⟨hal-03611088⟩

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