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Updated: Mar 7, 2026

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
Published on: July 19, 2024
Real-space mapping of electronic orbitals
Stefan Löffler1, Matthieu Bugnet2, Nicolas Gauquelin2
1Department for Materials Science and Engineering, McMaster University, 1280 Main Street West, L8S 4M1 Hamilton, Ontario, Canada; University Service Centre for Transmission Electron Microscopy, TU Vienna, Wiedner Hauptstraße 8-10/E057B, 1040 Wien, Austria; Institute for Solid State Physics, TU Vienna, Wiedner Hauptstraße 8-10/E138, 1040 Wien, Austria.
Abstract:
Electronic states are responsible for most material properties, including chemical bonds, electrical and thermal conductivity, as well as optical and magnetic properties. Experimentally, however, they remain mostly elusive. Here, we report the real-space mapping of selected transitions between p and d states on the Ångström scale in bulk rutile (TiO2) using electron energy-loss spectrometry (EELS), revealing information on individual bonds between atoms. On the one hand, this enables the experimental verification of theoretical predictions about electronic states. On the other hand, it paves the way for directly investigating electronic states under conditions that are at the limit of the current capabilities of numerical simulations such as, e.g., the electronic states at defects, interfaces, and quantum dots.
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