Peelaers Group

Our group uses and develops state-of-the-art computational first-principles methods based on Density Functional Theory (DFT) to describe and explain the physics of materials, with the goal of improving and designing the materials for the next generation devices. The calculations we perform are all first-principles calculations, meaning that no experimental input is used. This allows not only to explain experimental observations, but also to make accurate predictions that can be used to guide experimental design of new devices.

Our research can be divided in 3 main subtopics: wide-bandgap oxides for high-power devices and memristors, novel non-Li-ion battery cathodes, and interfaces between inorganic 2D materials and organic molecules. More details can be found on the research subpage or on the publications subpage.

Meet current and past group members on the people subpage.