Abstract
The electrochemical reactivity of Li 3N with transition metals (M = Mn, Fe, Co, Ni) is examined by discharge/charge, cyclic voltammetry, X-ray diffraction and X-ray photoelectron spectroscopy measurements. An attempt is made to understand this reversible electrochemical reaction of transition metals with Li 3N from the chemical reactions point of view. Density functional theoretical calculation results suggest that a stable complex MNLi 3 could be formed by the insertion of transition metal in Li 3N with exothermic as an intermediate, subsequent the decomposition process of these insertion compounds should make a main contribution to release Li.
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