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Chromium substitution effect on structural and electrochemical behavior of Li-Cr-Ni-O oxides

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Abstract

The chromium-substituted LiCr x Ni1−x O2 oxides were prepared from lithium hydroxide monohydrate (LiOH·H2O), NiO, and Cr2O3. The structure of Li1.5Cr0.5NiO3 phase has been investigated by means of X-ray single crystal and powder diffraction (space group P-3m1, a = 2.9256(1), c = 7.1539(2) Å). The relations between Li1.5Cr0.5NiO3 structure, rhombohedral LiNiO2, and NiO are described by a group-subgroup scheme on the basis of Bärnighausen formalism. Electronic structures were calculated applying the TB-LMTO-ASA 4.7 program. The maximum of electron localization function (ELF) was obtained around the oxygen atoms. Features of the crystal structure of the trigonal Li1.5Cr0.5NiO3 phase cause lower electrode capacity compared to rhombohedral LiNiO2.

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Acknowledgments

Financial support from the National Science Centre, Poland (nr 2014/15/B/ST8/00101) is gratefully acknowledged.

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Authors and Affiliations

  1. Institute of Chemistry, Environmental Protection and Biotechnology, Częstochowa Jan Długosz University, al. Armii Krajowej 13/15, 42200, Częstochowa, Poland

    Renata Misztal, Agnieszka Balińska, Damian Kulawik, Volodymyr Pavlyuk & Wojciech Ciesielski

  2. Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla i Mefodia 6, 79005, Lviv, Ukraine

    Volodymyr Pavlyuk

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  1. Renata Misztal
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  2. Agnieszka Balińska
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  3. Damian Kulawik
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  4. Volodymyr Pavlyuk
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  5. Wojciech Ciesielski
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Correspondence to Volodymyr Pavlyuk.

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Misztal, R., Balińska, A., Kulawik, D. et al. Chromium substitution effect on structural and electrochemical behavior of Li-Cr-Ni-O oxides. Ionics 21, 3039–3049 (2015). https://doi.org/10.1007/s11581-015-1502-3

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  • DOI: https://doi.org/10.1007/s11581-015-1502-3

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