Investigating Friedel oscillations-related effects via the density functional theory (DFT), being a powerful computational quantum mechanical modeling method, presents significant challenges. While DFT allows one to study the electronic structure of systems with considerable accuracy (owing to appropriate approximate functional choice), it encounters significant problems related to the periodic boundary conditions: interferences caused by neighboring cells in the periodic boundary conditions typically used in DFT calculations. These interferences can mask the true nature of the oscillations, making it difficult to discern their genuine properties.