Single-molecular layers of WS2 have been prepared by Li-intercalation
using n-butyllithium and exfoliation in water. The preparation of sing
le-molecular layers of WS2 was found to be more difficult than that fo
r MoS2. The saturated Li content is x = 0.4 in LixWS2 for intercalatio
n at room temperature. In order to obtain complete exfoliation, it is
necessary that x greater than or equal to 1, which we have shown can b
e obtained with elevated-temperature intercalation. X-ray diffraction
patterns of single layer WS2 suspensions in water clearly show the two
-dimensional features of the material, i.e. only (hkO) peaks are prese
nt in the pattern and strong asymmetric line shapes of Bragg peaks due
to the Warren effect. The line shapes of X-ray diffraction patterns f
rom single layer WS2 are quite different from those of single layer Mo
S2 due to structure factor effects. We have determined that single lay
er WS2 has an expanded a-spacing and strongly distorted octahedral coo
rdination with a 2a(0) superlattice. The 1.8 eV optical band gap absor
ption of bulk WS2 is not observed in single layer WS2.