Reuniting crystallography with real space: Ab initio structure elucidation with 4D-STEM.

ABSTRACT: Structure elucidation via single-crystal methods has historically lacked experimental access to real-space information, instead relying exclusively on diffraction-space measurements of Bragg reflections. Here we exploit the dual-space imaging power of 4D scanning transmission electron microscopy to meaningfully integrate real-space information into the crystallographic workflow. We show that virtual apertures assembled by segmentation of high-angle annular dark-field images enable i) pixel-by-pixel separation of coherent Bragg signal from clusters of closely spaced nanocrystals and ii) selective extraction of integrated intensities from thinner subregions of individual specimens, facilitating retroactive tuning of multiple scattering artifacts. This strategy empowers us to simply pick and

SUBMITTER: Saha A 

PROVIDER: S-EPMC12557540 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature