4D STEM of energy related materials down to quantum level

In the proposed large interdisciplinary project, we aim to explore the potential of novel 4D STEM techniques application for in-depth characterization of the selected state-of-the-art functional energy-related materials. Li-ion batteries, electrocatalysts, magnetic and ferroelectric materials are found in many of the forefront applications for emerging green technologies. Functional properties of these materials, such as strain, electric and magnetic fields, combined with the variations in the atomic structure and charge density distribution have a decisive influence on the materials application. Among a number of materials characterization techniques that permit to study these properties, scanning transmission electron microscopy (STEM), and, particularly, newly developed 4D STEM approaches, capable to reach down to the quantum level of individual atoms, stand out. In the proposed project we will set up a model material based 4D STEM methodology platform supported by the first principle calculations and machine learning approaches. This methodology will be applied to selected functional energy-related materials for mapping strain and electric field, extracting quantitative information on local magnetic moments, mapping magnetic texture, visualization of light elements under low energy beam conditions and charge density distribution mapping. Gaining broader understanding of structure/functional properties relation in such manner will promote a more considerate approach to the design of novel functional materials with enhanced properties. Our proposed project will combine unique expertise in the fields of applied materials synthesis and characterization, theoretical physics and information technology, stemming from two leading Slovenian research institutes and enriched with ongoing collaborations with a number of European research groups and facilities. Through the exchange of knowledge and know-hows, such interdisciplinary team will help to excel the projects contribution to the field of functional energy-related materials development.