Journal of Applied Crystallography

Volume 41, Part 3 (June 2008)

research papers

J. Appl. Cryst. (2008). 41, 554-562 [ doi:10.1107/S0021889808007905 ]

Finite size effects on the real-space pair distribution function of nanoparticles

B. Gilbert

Abstract: The pair distribution function (PDF) method is a powerful approach for the analysis of the structure of nanoparticles. An important approximation used in nanoparticle PDF simulations is the incorporation of a form factor describing nanoparticle size and shape. The precise effect of the form factor on the PDF is determined by both particle shape and structure if these characteristics are both anisotropic and correlated. The correct incorporation of finite size effects is important for distinguishing and quantifying the structural consequences of small particle size in nanomaterials.

Keywords: pair distribution function; nanoparticles; disorder.