Direct evidence for high Na+ mobility and high voltage structural processes in P2-Nax[LiyNizMn1−y−z]O2 (x, y, z ≤ 1) cathodes from solid-state NMR and DFT calculations
نویسندگان
چکیده
Department of Chemistry, University of E-mail: [email protected] Department of NanoEngineering, Universit 92037, USA Department of Materials Science and Engi 50011, USA Department of Chemistry, University of Wa † Electronic supplementary information data for P2-Na2/3Ni1/3Mn2/3O2; ts o electrochemically-cycled P2-NaxNi1/3Mn2/ XRD data for a 4.4 V charged P2-NaxL computational details for the CRYSTAL09 exchange couplings and site-specic Nax[LiyNizMn1 y z]O2 compounds; P2-Nax[LiyNizMn1 y z]O2 (x, y, z # 1) s density transfer pathway geometries; Li s 10.1039/c6ta09601h ‡ Current address: Department of Materia of California Berkeley, Berkeley, CA 94720 Cite this: J. Mater. Chem. A, 2017, 5, 4129
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