New Algorithm for Microstructural Information Determination from the Overlapping X-ray Diffraction Profiles

Scientific paper - Original scientific paper

• Author: Krešimir Dekanić
• Author: Željko Skoko
• Author: Sven Lončarić
• Author's institution: University of Zagreb; Faculty of Science
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Physics
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Computing

Abstract (english)

Knowledge about the microstructure is crucial in targeted synthesis of novel nanomaterials. The microstructural para- meters, crystallite size and crystallite strain play a major role in physical and chemical properties of the material. X-ray diffraction (XRD) is a very suitable method for this task, since it is non-destructive and it enables a very quick and pre- cise determination of these parameters. The main problem lies in the case where the two neighboring diffraction profi- les overlap each other. Here we present a new method for the separation of the overlapping profiles based on the diffe- rentiation of the profiles. Further, this method is appropriate for non- crystallographers working in the field of material science since it does not require any crystallographic experience and the full knowledge about the structure of the sam- ple investigated. The microstructural results obtained by the proposed method are very accurate.

• Keywords (english): separation of the overlapping diffraction profiles; differentiation; Fourier transformation; X-ray diffraction; microstructure; nanomaterials
• Language: english
• Publication type: Scientific paper - Original scientific paper
• Publication status: Published
• Peer review: Peer review - international
• Publication version: Published version
• Journal title: Acta Chimica Slovenica
• Numbering: vol. 63, no. 4, pp. 874-880
• p-ISSN: 1580-3155
• DOI: https://doi.org/10.17344/acsi.2016.2837
• URN:NBN: urn:nbn:hr:217:618587
• Publication: 2016
• Document URL: https://journals.matheo.si/index.php/ACSi/article/view/2837
• Type of resource: Text
• Access conditions: Open access
• Created on: 2020-02-07 16:44:11