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D. Nafday

affiliation not provided to SSRN

  • affiliation not provided to SSRN

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Unveiling the Mechanism of Jahn-Teller Distortion and Magnetic Suppression in LiNiO2 during Delithiation: Insights from Electron Redistribution

Number of pages: 17 Posted: 17 Sep 2025
O. M. Sousa, D. Nafday, F. O. Carvalho, L. V. C. Assali, M. V. Lalic, A. Delin, C. Moyses Araujo, Olle Eriksson, H. M. Petrilli and A. B. Klautau
Federal University of Para, affiliation not provided to SSRN, Universidade Federal de Sergipe, University of São Paulo (USP), Universidade Federal de Sergipe, affiliation not provided to SSRN, Karlstad University, Uppsala University - Department of Physics and Astronomy, University of São Paulo (USP) and Federal University of Para
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Redox process, LiNiO2, electronic structure, electronic charge redistribution, density functional theory