Centre d’Élaboration de Matériaux et d’Etudes Structurales

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X-Ray diffraction

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Calculated diffractograms and fraction obtained with a set of cokes annealed at various temperatures

Reliably analyzing X-ray diffraction patterns of nanostructured graphenic carbon materials is important to relate to their properties. We have used a bottom-up approach based on atomistically modeling the structural complexity of the average crystallite. In addition to the turbostratic (random) and graphitic (periodic) stacking sequences which are usually considered, we will also consider at least graphene pairs with AB stacking. We have constructed calibrated functions to fit all data. Only faction of basic structural component (turbostratic, pair, Bernal) and crystallite size are adjustable parameters. (10) and (11) peaks gives exactly the same crystallite size while the (10) peak is more useful to extract the BSC fractions of the average crystallite.