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Journal of Structural Chemistry

, Volume 37, Issue 4, pp 626–632 | Cite as

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

  • G. F. Khudorozhko
  • L. G. Bulusheva
  • L. N. Mazalov
  • V. E. Fedorov
  • I. P. Asanov
  • É. A. Kravtsova
  • G. K. Parygina
  • Yu. V. Mironov
Article

Abstract

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.

Keywords

Lithium Atom Antibonding Orbital Molybdenum Atom Quantum Chemical Modeling Chalcogen Atom 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Publishing Corporation 1996

Authors and Affiliations

  • G. F. Khudorozhko
  • L. G. Bulusheva
  • L. N. Mazalov
  • V. E. Fedorov
  • I. P. Asanov
  • É. A. Kravtsova
  • G. K. Parygina
  • Yu. V. Mironov

There are no affiliations available

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