Nikola Macháčová defended her bachelor thesis, congratulations!

Topic: Electronic and optical properties of 2D metal carbide-based heterostructure
Abstract: This study investigates the electronic and optical properties of two chosen MXene-based van der Waals heterostructures. Selected advanced ab initio methods can effectively account for the excitonic effect, which is essential for the absorption spectra of 2D materials. We used such methods to obtain reliable spectra of both materials and heterostructures. Computational models included supercells to keep the artificial strain imposed on monolayers at the minimum value. We studied the electronic band gaps, band structures, and absorption spectra of 2D materials and their heterostructures at different levels of approximation. Finally, we compared the computational results for single 2D materials and their van der Waals heterostructures.