Study of The Reconstructed Surface of Silicon Carbide

This work is devoted to the theoretical investigation of the reconstructed surface of silicon carbide particles, which can take place in process of formation of aromatic molecules in the envelopes of the asymptotic giant branch stars. Modern computational chemistry methods are applied as a tool. Using these methods, the most stable and probable reconstruction of the silicon carbide surface has been identified, which can be used for further calculations of surface reactions and identification of the catalytic properties of silicon carbide.