Jiří Kalmár defended his bc. thesis, Congratulations!
Topic: Optical properties of defected fluorographene.
Abstract: It has been shown that structural defects, which arise during the synthesis of 2D materials, can significantly influence their electronic and optical properties. In this bachelor thesis we have investigated, with the help of density functional theory,the effect of 5 structural defects on the optical properties of fluorographene. We have conducted calculations of band structures and absorption spectra at the level of density functional theory and higher, many-body methods. For pristine fluoro-graphene we have calculated the fundamental band gap to be 3.1 eV for the density functional theory and 7.07 for many-body methods which are in agreement with other theoretical calculations. The lowest band gap was 4.23 eV for the antiferro-magnetic FP2vacancy and the largest band gap of 7.79 eV was calculated for the C vacancy. We can see from the results, that some defects can shift the absorption ofthe electromagnetic radiation to the visible and IR region of spectrum and therefore significantly expand the application potential of fluorographene.