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Improving Nanoparticles Structural Analysis by Pair Distribution Function from Electron Diffraction
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DOI：10.1021/acs.jpcc.5c03617.png)
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Abstract
En 中文
Nanomaterials’ crystallographic structure determination with atomic-level precision is essential to understand their unique and desired properties. Considering the advantage of strong electron–matter interactions, the pair distribution function from electron diffraction (ePDF) arises as an alternative tool to gather structural information about nanomaterials with the ability to perform quantitative nanocrystallography. However, the inherent problems related to the nature of electron scattering pose a considerable challenge in extracting the elastic total scattering profile, which is the basis for performing ePDF analysis. Based on specific data acquisition conditions to avoid TEM grid carbon background scattering, an improved approach to calculate the ePDF G(r) for spherical nanoparticles is presented. A multistep data processing is implemented enabling a careful treatment of the background signal including removing the influence of organic ligands, which is guided by calculating the theoretical I(Q)calc, S(Q)calc, and G(r)calc profiles and simultaneously accessing both r-space and Q-space information. Then, the final corrected ePDF G(r) contains only the nanomaterials’ atomic structural information. The applicability of the current approach is performed on monodispersed spherical iron oxide nanoparticles with a variable size, ranging from 2 to 10 nm, to discuss the so-called nanostructure problem. From the refinement of the final corrected G(r) profiles, the new approach has been validated, leading to an improvement in the quantitative treatment of ePDF analysis for nanomaterials.
Keywords:
electron diffraction
pair distribution function
nanomaterials
crystallographic structure
quantitative nanocrystallography
Journal
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3.2
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1.2K
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4
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