Relationship between the atomic pair distribution function and small angle scattering: implications for modeling of nanoparticles

Abstract

Here we show explicitly the relationship between the functions used in the atomic pair distribution function (PDF) method and those commonly used in small angle scattering (SAS) analyses. The origin of the sloping baseline, $-4\pi r\rho_0$, in PDFs of bulk materials is identified as originating from the SAS intensity that is neglected in PDF measurements. The non-linear baseline in nanoparticles has the same origin, and contains information about the shape and size of the nanoparticles.