Finite Size Effect of Nanoparticles to the Atomic Pair Distribution Functions

TL;DR

This paper investigates how the finite size of nanoparticles affects their atomic pair distribution functions by calculating radial distribution functions for various shapes, aiding in shape and size determination of nanoparticles.

Contribution

It introduces a method to analyze finite size effects on PDFs for different nanoparticle shapes using continuum assumptions, providing a tool for nanoparticle characterization.

Findings

Finite size influences the shape of radial distribution functions.

Different nanoparticle geometries produce distinct PDF characteristics.

The approach can be used to measure nanoparticle shape and size.

Abstract

The finite size effects of the nanoparticles to the atomic pair distribution functions (PDF) are discussed by calculating the radial distribution functions (RDF) on nanoparticles with various shapes, such as sheet, belt, rod, tube and sphere, assuming continua. Their characteristics are shown depending on the shapes and the sizes of the nanoparticles. Alternately, these PDFs can be used to measure the shapes and the sizes of ordered lattice part inside of any materials such as nanoparticles and bulks.