Nanoparticle size distribution from inversion of wide angle X-ray total scattering data

摘要: An increasingly important issue in nanoscience and nanotechnology is the accurate determination of nanoparticle sizing. Wide angle X-ray total scattering (WAXTS) data are frequently used to retrieve Particle Size Distributions (PSDs) nanocrystals highly technological relevance; however, PSD shape typically relies on an a-priori assumption. Here, we propose a modified version classical iterative Lucy-Richardson (LR) algorithm, which simple, fast reliable against noise, demonstrate that inversion WAXTS can be profitably for recovering regardless its shape. Computer simulations based use Debye Scattering Equation (DSE) modelling show algorithm capable PSDs even when sample made mixture different polymorphs and/or exhibits microstrain effects. When applied taken real samples, method requires crystal structure, includes structural defects, surface induced distortions. Provided this information correctly fed program, reconstructs with high accuracy recovers robust (against noise) PSDs. Two examples reporting characterization Magnetite-Maghemite commercial P25-Titania nanopowders, discussed. We pre-assumption wrong leads inaccurate number-based average sizes polydisperse samples.