MXenes are a new group of two-dimensional materials, which are only few atomic layers thin, but possess high electrical conductivity and mechanical strength. However, unlike many other 2D materials, they also form strong bonds with molecules on their surfaces, which in turn can dramatically modify the material properties of these sheets.
In this project, we study interactions of surface molecules with the MXene materials through advanced quantum physics calculations as well as experimentally. We determine how the composition and distribution of the surface molecules can be controlled, how the material properties change consequently, and what chemical processing conditions are needed to yield optimal properties. In addition, we search for new combinations of MXene materials and molecules that would yield novel functionalities, where for instance the conductivity of material can be tuned externally by light.