The Effect of Anharmonicity on the EXAFS Coordination Number in Small Metallic Particles

Abstract
By use of a newly developed model, a more accurate determination of metal particle size from a standard analysis of an EXAFS experiment is now possible1). The model is based on a set of molecular dynamics simulations from which the pair correlation function of small metallic particles can be obtained. The model allows an estimation of the errors arising from the standard EXAFS analysis, in particular the errors due to the exclusion of the low momentum information as well as the non-transferability of the amplitude function.