Work

Combining reverse Monte Carlo analysis of X-ray scattering and extended X-ray absorption fine structure spectra of very small nanoparticles

Year: 2022

Type: article

Abstract: Finite size effects in partial pair distribution functions generate artefacts in the scattering structure factor and scattering intensity. It is shown how they can be overcome using a binned version of the Debye scattering equation. Accordingly, reverse Monte Carlo simulations are used for very small nanoparticles of LaFeO 3 with diameters below 10 nm to simultaneously analyse X-ray scattering data and extended X-ray absorption fine structure spectra at the La K and Fe K edges. The structural information obtained is consistent regarding local structure and long-range order.

Source: Journal of Applied Crystallography

DOI: 10.1107/s1600576722010858

Authors: Markus Winterer, Jeremias Geiß

Institution: University of Duisburg-Essen

Language: English

Topic: X-ray Diffraction in Crystallography

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,500

Funders: Deutsche Forschungsgemeinschaft, Universität Duisburg-Essen, Deutsches Elektronen-Synchrotron, Interdisciplinary Center for Analytics on the Nanoscale, University of Duisburg-Essen