Changes in the atomic and electronic structure of silicon carbide 3C-SiC (β-SiC), resulting from lead adsorption, have been studied within the density functional theory. The tests were conducted for three representative surfaces with varying degrees of lead coverage. Results indicate that chemisorption occurs, with the strongest binding, found on the hexagonal surface (111) in interaction with three dangling bonds. The adsorption energy rises with increasing coverage, especially as the surface approaches saturation. Analysis of the data was focused on parameters important for corrosion processes such as bond distances, binding energies, Bader charges and charge density difference.

Nuclear waste is one of the most important environmental problems of nuclear power plants. A novel renewable distillation method has been proposed for an on-site recycling of the spent nuclear fuel and separation of its valuable components from the fissile isotopes, which is especially applicable for reactors using liquid fuels.