I have XRD of graphene-containing composite and want to make Rietveld refinement for all phases. Could anyone recommend the parameters I should use for better calculation?
First, refine your xrd data by using MAUD to estimate all the structural parameters...then further refine it using FullProf to get the final refined structure.
Since graphene have 2D hexagonal structure, hence use hexagonal lattice parameters for the refinement of the structure. As you said that your prepared system is a composite. First perform Le-Bail fit for all the component phases present in the composite. Then go for Rietveld refinement. You can use FullProf software for the refinements.
Dear Dr Kumar, and what parameters should I use for GO phase refinement? As I understand, for rGO parameters should be the same as for graphene.
Are you have XRD pattern of GO itself? Are you have refined the XRD data of GO? If yes, then use the above refined parameters for two phases refinement.
Dear Khort ,
You may follow the attached PDF paper regarding this problem.
I will try to clarify. I have XRD data for composite nanomaterials, which contains metallic, G, rGO and GO phrases in different cases. As I understand, G and rGO phases can be refinement with atoms positions and structure for hexagonal carbon. But this is not the case for GO phase because of 002 plane, is it? I yes, what parameters (atoms positions and structure (hexagonal?)) should be?
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