sasPDF: pair distribution function analysis of nanoparticle assemblies from small‐angle scattering data

• Published in: Journal of applied crystallography 2020-06, Vol.53 (3), p.699-709
• Main Authors: Liu, Chia-Hao, Janke, Eric M., Li, Ruipen, Juhás, Pavol, Gang, Oleg, Talapin, Dmitri V., Billinge, Simon J. L.
• Format: Article
• Language: English
• Subjects: Assemblies; Crystallites; Crystals; Distribution functions; Function analysis; nanoparticle assembly; Nanoparticles; pair distribution function; Research Papers; Scattering; self‐assembly; small‐angle scattering
• ISSN: 1600-5767; 0021-8898; 1600-5767
• DOI: 10.1107/S1600576720004628

sasPDF, a method for characterizing the structure of nanoparticle assemblies (NPAs), is presented. The method is an extension of the atomic pair distribution function (PDF) analysis to the small‐angle scattering (SAS) regime. The PDFgetS3 software package for computing the PDF from SAS data is also presented. An application of the sasPDF method to characterize structures of representative NPA samples with different levels of structural order is then demonstrated. The sasPDF method quantitatively yields information such as structure, disorder and crystallite sizes of ordered NPA samples. The method was also used to successfully model the data from a disordered NPA sample. The sasPDF method offers the possibility of more quantitative characterizations of NPA structures for a wide class of samples. The sasPDF method, an extension of the atomic pair distribution function (PDF) analysis to the small‐angle scattering (SAS) regime, is presented. The method is applied to characterize the structure of nanoparticle assemblies with different levels of structural order.