Robust structure and morphology parameters for CdS nanoparticles by combining small-angle X-ray scattering and atomic pair distribution function data in a complex modeling framework

In this work, the concept of complex modeling (CM) is tested by carrying out a co-refinement of the atomic pair distribution function and small-angle X-ray scattering data from CdS nanoparticles. It is shown that, compared with either single technique alone, the CM approach yields a more accurate and robust structural insight into the atomic structure and morphology of nanoparticles. This work opens the door for the application of CM to a wider class of nanomaterials and for the incorporation of additional experimental and theoretical techniques into these studies.