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

Dekanić, Krešimir and Skoko, Željko and Lončarić, Sven (2016) New Algorithm for Microstructural Information Determination from the Overlapping X-ray Diffraction Profiles. Acta Chimica Slovenica, 63 (4). pp. 874-880. ISSN 1580-3155

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Abstract

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.

Item Type: Article
Keywords: separation of the overlapping diffraction profiles, differentiation, Fourier transformation, X-ray diffraction, microstructure, nanomaterials
Date: 2016
Subjects: NATURAL SCIENCES > Chemistry
NATURAL SCIENCES > Physics
TECHNICAL SCIENCES > Computing
Divisions: Faculty of Science > Department of Physics
Publisher: Slovenian Chemical Society
Depositing User: Gordana Stubičan Ladešić
Date Deposited: 30 Oct 2017 15:01
Last Modified: 30 Oct 2017 15:01
URI: http://digre.pmf.unizg.hr/id/eprint/5644

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