Structure of restacked MoS{sub 2} and WS{sub 2} elucidated by electron crystallography

There has been a lot of confusion about the nature of restacked MoS{sub 2} and WS{sub 2}. The structure has been proposed to be trigonal TiS{sub 2} type with octahedral M{sup 4} and called 1T-MoS{sub 2}. The presence of a distortion in the metal plane that gives rise to a superstructure has been sug...

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Bibliographic Details
Published in:Journal of the American Chemical Society 1999-02, Vol.121 (4)
Main Authors: Heising, J., Kanatzidis, M.G.
Format: Article
Language:English
Subjects:
CHALCOGENIDES
CRYSTAL STRUCTURE
ELECTRIC BATTERIES
ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION
ENERGY STORAGE
LAYERS
MATERIALS SCIENCE
MOLYBDENUM SULFIDES
MONOCRYSTALS
SOLID LUBRICANTS
TUNGSTEN SULFIDES
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Summary:There has been a lot of confusion about the nature of restacked MoS{sub 2} and WS{sub 2}. The structure has been proposed to be trigonal TiS{sub 2} type with octahedral M{sup 4} and called 1T-MoS{sub 2}. The presence of a distortion in the metal plane that gives rise to a superstructure has been suggested. Electron crystallographic studies on small (submicron) single crystal domains of restacked WS{sub 2} and MoS{sub 2} have been performed to solve their superstructure. It was shown that what initially seems to be a trigonal crystal is actually a triplet of three individual orthorhombic crystals. Using two-dimensional hk0 data from films for both triple and single crystals the authors calculated corresponding Patterson projections, which reveal a severe distortion in the Mo/W plane, forming infinite zigzag chains. The projection of the structure suggests M-M distances of 2.92 and 2.74 {angstrom} for MoS{sub 2} and Ws{sub 2}, respectively. Least-squares refinement from the single-crystal data gives R{sub 1} = 13.3% for WS{sub 2} and R{sub 1} = 15.3% for MoS{sub 2}. Therefore, it is proposed that restacked MoS{sub 2} and WS{sub 2} are not 1T form but rather WTe{sub 2} type.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja983043c