Synthesis and investigation of the electronic structure of molybdenum tetrasulfide and its lithium intercalates

An X-ray amorphous phase of molybdenum tetrasulfide with the analytical formula MoS₄ has been sythesized. Quantum chemical modeling of the suggested local structure of MoS₄ and EHT calculation of the electronic structure of the basic (Mo₂S₄)⁴⁺ fragment are reported. The electronic structure of molybdenum tetrasulfide and its lithium intercalates was investigated by X-ray emission and X-ray photoelectron spectroscopy. It is shown that the change in the electronic structure of the starting molybdenum tetrasulfide to four lithium atoms per formula unit in the intercalate may be considered in the rigid band model. Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 4, pp. 727–734, July–August, 1996. Translated by L. Smolina