© Petko Petkov
Theoretical Chemistry
The Theoretical Chemistry group is headed by Prof. Dr. rer. nat. Thomas Heine and involves staff and students of TU Dresden and of Helmholtz-Center Dresden-Rossendorf, Leipzig research branch.
The research aim is the rational design of new materials with properties that allow for new and more efficient applications in nanoelectronics, optoelectronics, in photo- and electrochemical catalysis and in hydrogen isotope separation. Therefore, new theoretical methods will be developed and applied to nanostructured materials. Currently, the focus is on two-dimensional materials such as 2D crystals and 2D polymers, and metal organic frameworks (MOFs).