The role of the electrons in lithium intercalation in LixRuzMo6-zSe8

Abstract
The authors have measured mu Li, the chemical potential of lithium, in LixRuzMo6-zSe8 for 0<or=z<or=2 using electrochemical cells and have monitored the lattice parameters for increasing x using in situ X-ray diffraction. Intercalation is not limited by the band gap but rather by the close proximity of occupied sites when x=4. In situ resistance measurements confirm that the lower d-bonding band fills at x approximately=4-2z. A lattice gas model containing a distribution in Li site energies created by Ru and Mo atoms accounts for V(x) for 0<x<1.