We explored the addition of azomethine ylides, which involves coordination with a nitrogen atom. We began by positioning the buckyball (Ih symmetry) using the "position" function in pyGlobOpt, then directed the software to place the azomethine ylide on its "surface." After generating and locally optimizing fewer than 200 structures using xTB, a two C2V -symmetric compound was identified. Similarly, as shown in Figure , we observe minimal changes (0.05 eV) and a relatively plateaued region, yet pyGlo-bOpt successfully identified structures with lower energy configurations. Surface-Supported Metal Nanoparticle. Barium titanate, BaTiO3, is the most widely used ferroelectric material, and to this date, it is the most important multilayer ceramic dielectric. Copper clusters dopped on the BaTiO3 surface enhance its photocatalytic properties. Properties of Cu clusters strongly depend on position and surface support, which provide a potential ability to apply Cu/BaTiO3 in nanotechnologies. The essential problem in investigating metal clusters is the limited data on their geometry. Hence, the information obtained from global optimization can be valuable.