Electrical Conduction Mechanisms of MxPS3, M1−xM'xPS3 and their Intercalation Compounds

Abstract

In the M_xPS₃ and M_1?xM'_xPS₃ systems, the P₂S₆ cluster contributes to the poor electrical conductivity for the compounds in which the energy level of the metal 3d orbital is deeper than those of the P, S 3p orbitals. For the compounds in which metal 3d orbital is closed to P and S 3p orbitals and has mixed valency, the induced mixed valency of P₂S₆, cluster and/or hopping mechanism contribute to the electrical conductivity. In the organic electron donor intercalation into M_xPS₃ and M_1?xM'_xPS₃ compounds, the new intercalation reaction is discovered, in which formation of tris-complexes of metal ions with guest molecules occurs in the host interlayer.