Advances in modelling X-ray absorption spectroscopy data using reverse Monte Carlo-Reference-Cited by-同舟云学术

Advances in modelling X-ray absorption spectroscopy data using reverse Monte Carlo

Published:2022 Issue:11 Volume:24 Page:6988-7000
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Di Cicco Andrea¹^ORCID,Iesari Fabio²^ORCID

Affiliation:

1. Physics Division, School of Science and Technology, Camerino University, 62032 Camerino, MC, Italy

2. Aichi Synchrotron Radiation Center, 489-0965 Seto, Aichi, Japan

Abstract

Tridimensional models of molecules, crystalline solids and liquids have been are obtained by Reverse Monte Carlo (RMC) using multiple-edge x-ray absorption spectroscopy and diffraction or MD. Full details on method and applications are presented.

Funder

Core Research for Evolutional Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05525A

Reference49 articles.

1. Theoretical approaches to x-ray absorption fine structure

2. X-ray-absorption spectroscopy andn-body distribution functions in condensed matter. I. Theory

3. X-ray-absorption spectroscopy andn-body distribution functions in condensed matter. II. Data analysis and applications

4. Application of the ratio method of EXAFS analysis to disordered systems

5. Local thermal expansion in copper: Extended x-ray-absorption fine-structure measurements and path-integral Monte Carlo calculations

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