Extracting interface correlations from the pair distribution function of composite materials

Using a non-negative matrix factorisation (NMF) approach, we show how the pair distribution function (PDF) of complex mixtures can be deconvolved into the contributions from the individual phase components and also the interface between phases. Our focus is on the model system Fe||Fe3O4. We establis...

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Bibliographic Details
Main Authors: Geddes, H, Hutchinson, H, Ha, AR, Funnell, NP, Goodwin, A
Format: Journal article
Language:English
Published: Royal Society of Chemistry 2021