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Advertising division: ER-C - Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons
Reference number: D076/2018, Physics

Master thesis: Atomic surface reconstruction by transmission electron microscopy image simulation for renewable energy materials

The usage of aberration-corrected (Scanning) Transmission Electron Microscopy ((S)TEM) allows the structural investigation of materials on the atomic scale and has opened up a new era for material science. As the electrons pass through the crystalline specimen during imaging in the electron microscope, the incident electrons are diffracted and scattered. The convoluted information of the 3D crystal structure and imaging process is recorded by the CCD camera in a 2D image. In order to extract the 3D information of the crystal, image simulation is indispensable.

This master thesis will focus on the extraction of 3D information from a crystalline catalyst sample for renewable energy conversion. Atomic-resolution (S)TEM images will be simulated using the “Dr. Probe” software and will be qualitatively and quantitatively compared with experimental images. During this process, the imaging parameters and atomic positions of the model structure will be adapted to the experimental results. Furthermore, the simulation will be applied to samples before and after the catalytic reaction. By this way, it will be possible to trace the atomic-scale changes during the catalytic reaction and to understand the atomic mechanisms facilitating the performance and degradation of the catalysts.

Ideally, you are a physics student with good programming ability. If you are interested in a cutting-edge master thesis at one of the leading institutes for electron microscopy, please contact: Dr. Xiankui Wei (

Dr. Xiankui Wei
Forschungszentrum Jülich
Ernst Ruska Centre

Announcement as pdf file: pdf