Atomic structure of nanomaterials: combined X-ray diffraction and EXAFS studies

The structures of Pd nanoparticles and layered MoS2-based nanocomposites prepared by wet routes under mild chemical conditions were studied by a combination of EXAFS spectroscopy and powder X-ray diffraction (XRD). Experimental diffractograms were compared with the patterns calculated for model clusters approximating the structure of the nanomaterials. The calculations were performed using a specially designed program, which simulates the XRD patterns of atomic aggregates based on the Debye formula. This combination “XAFS + XRD + modeling” proves to be an efficient tool for a characterization of poorly ordered nanomaterials.