Electrostatic potential through charge-integration

This project aims to measure the electrostatic potential of crystalline compounds using electron diffraction. The JUNGFRAU hybrid pixel detector is crucial, combining charge integration with low noise and a wide dynamic range. This allows precise 3D electron diffraction, unveiling hidden structural details. The project develops advanced data acquisition procedures, ensuring high-quality data independent of systematic errors. By combining charge integration with these procedures, the electrostatic potential of chemical compounds can be measured accurately. The electrostatic potential is a fundamental property providing insights into molecule interactions. This method significantly expands the range of analyzable compounds. Applying it to the zeolite catalyst ZSM5 and the anti-cancer drug KP1339 demonstrates its broad applicability. The goal is to develop targeted drugs and more efficient catalysts by understanding the atomic world through electrostatic potential measurements.

An electron diffractometer makes possible what no microscope can do: you can measure the arrangement of individual atoms within chemicals and materials. In contrast to an X-ray diffractometer, electrons not only "see" the position, but also the most important property with which molecules are in contact with their environment: their electrostatic potential. It's not hard to imagine that this measurement requires the highest level of precision. The JUNGFRAU detector, a development of the PSI detector group, delivers exactly this precision. This project has exhausted its capabilities and thus created an instrument that gives science completely new views into the world of the smallest. An important aspect of the project was the operability of the diffractometer, so that the new technology is available to as many research groups as possible. This was achieved through an application that combines intuition with the expert knowledge of crystallographers. This made it possible to study a wide range of very different substances and to determine both their structure and their electrostatic potential, for example from a drug, from tartar found in a wine glass, and from a catalyst that helps break down harmful greenhouse gases.