Electronic Structure of Iron Substituted Lithium Intercalated TaS 2
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ELECTRONIC STRUCTURE OF IRON SUBSTITUTED LITHIUM INTERCALATED TaS 2 M. Eibschiitz, D. W. Murphy and F. J. DiSalvo Bell Laboratories, Murray Hill, New Jersey 07974
ABSTRACT We have used the 57Fe Mossbauer effect to study the electronic spin configuration of Fe substituted in the layer compound LiuTaj.yFeyS 2 (0fxl; 0:y:50.1). The M6ssbauer effect results show that the Fe is local2 ized and in Fe + valence state but the electronic configuration depends on the 2 lithium concentration. At room temperature the isomer shift of Fe + increases from 0.56 mm/s for x = 0 (no Li) to 0.77 mm/s for x = .86 (at y = 0.05). The isomer shift results reflect the changes in the electronic configuration of 4 3 2 the host from Ta +(5d') to Ta +(5d ) and an increase in ionicity as the lithium content increases from 0 to 1.
Recently, there has been a great deal of interest in the intercalation of lithium into the transition metal layer dichalcogenides because of their potential use in an effective cathode reaction in Li-anode secondary cells (1,21. The major impetus behind used of the dichalcogenides is that some exhibit high electrochemical activity, high energy density and reversibility as cathodes materials in lithium metal cells [1-3]. One system that displays reversible electrochemical behavior is Li/2H-TaS2 [3,4]. We report here the 57Fe M6ssbauer effect (ME) measurement in a different TaS 2 polymorph lT-LinTal-yFeyS 2 (0•xS
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