STRUCTURE OF POORLY CRYSTALLINE MOS2 - A MODELING STUDY

Computer calculations of the scattered X-ray intensity from model structures of poorly crystalline (px-) MoS//2 are compared with experimental patterns from materials prepared at different temperatures. The results are used to identify the salient features of the observed diffraction patterns of px-MoS//2 in which the measured diffuse scattered intensity may be clearly attributed to the stacking and rotational disorder of the layers as well as the limited number of these layers. A procedure for the interpretation of the X-ray diffraction pattern of px-MoS//2 has thereby been developed in which the entire scattering pattern may be calculated without separation into Bragg peaks (of varying breadth and shape) and diffuse background.