IMPERphECT · Investigation of Multidimensional Non-Periodic Electron Scattering Phenomena Using Advanced Electron Crystallography

The IMPERphECT project develops a multidimensional strategy to investigate structural disorder in functional oxide systems, a key factor influencing their performance in technologies such as solar energy conversion and corrosion protection. Conventional techniques like X‑ray diffraction make it very challenging to capture the full complexity of nanocrystalline systems with disrupted lattice periodicity. The project combines advanced electron diffraction and microscopy with machine learning to create a multidimensional framework for mapping structural complexity at the nanoscale.Two oxide‑based model systems are studied: chromium and nitrogen co‑doped titanium dioxide, which shows enhanced photocatalytic and photovoltaic properties; and micro‑arc oxidation coatings on deformed titanium, valued for their strength and corrosion resistance. Both exhibit intermediate structural order and diverse disorder phenomena, including oxygen vacancies, charge states, planar defects, and secondary phases.By integrating three‑dimensional electron diffraction, four‑dimensional scanning transmission electron microscopy, and advanced spectroscopy, the project will resolve both average structures and local disorder motifs. Machine learning will enable semi-automated classification of structural features and facilitate comprehensive mapping of phase transitions and defect chemistry. The outcome will be transferable protocols for characterizing disordered materials, advancing our understanding of structure-function relationships, and supporting innovation in functional materials design.