Hybrid Functional Study on Small Polaron Formation and Ion Diffusion in the Cathode Material Na2Mn3(SO4)4
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DOI: 10.1021/acsomega.0c00009
Abstract: The crystal structure, electronic structure, and diffusion mechanism of Na ions in the cathode material Na2Mn3(SO4)4 are investigated based on the Heyd–Scuseria–Ernzerhof hybrid density functional method. The simultaneous motion model of polaron–sodium vacancy complexes was… read more here.
Keywords: cathode material; diffusion; polaron; na2mn3 so4 ... See more keywords