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Solid State Ionics, Vol.116, No.1-2, 1-9, 1999
Electronic structure and electrochemical properties of electrode material Li7-xMnN4
The electronic structure and the charge balance mechanism of the Li7-xMnN4 system were investigated by core-level electron energy loss spectroscopy. The spectra are strongly affected by configuration interactions and reveal the existence of a considerable amount of nitrogen 2p holes in the ground state. Based on the results, we conclude that the Li7MnN4 system can be classified into the charge transfer-type compounds. The systematic variation of the operating voltages versus Li/Li+ of the Li7MnN4 system and the other transition metal nitrides and oxides can be qualitatively explained by classification into the Mott-Hubbard and the charge transfer regimes.
Keywords:TRANSITION-METAL COMPOUNDS;X-RAY-ABSORPTION;ENERGY-LOSS-SPECTROSCOPY;PHOTOEMISSION SPECTRA;LI DEINTERCALATION;UNOCCUPIED STATES;NITRIDE;SYMMETRY;LI3FEN2;LIFEO2