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Effects of S/F doping and Li/Mn site exchange in Li2MnSiO4: A first-principles investigation of the structural, electrochemical and electronic properties

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Published in 2021 at "Electrochimica Acta"

DOI: 10.1016/j.electacta.2020.137553

Abstract: Abstract Effects of S and F doping and Li/Mn site exchange on structural, electrochemical and electronic properties of Li2MnSiO4 cathode materials are systematically studied by the first-principles calculations based on density functional theory within the… read more here.

Keywords: doping site; site exchange; structural electrochemical; site ... See more keywords