One-electron spectra of metal-carbon composites based on PPAN with introduced metal pairs: (a) Ni-Co-Sil; (b) Fe-Co-Si; (c) Ni-Fe-Si. The Fe orbitals are highlighted in red, Ni in yellow, Co in green, Si in blue, and the rest of the atoms in gray. The last occupied molecular orbital is marked with two arrows representing the electron spins.

 
 
  Part of: Zaporotskova IV, Radchenko DP, Kozhitov LV, Zaporotskov PA, Popkova AV (2020) Theoretical study of metal composite based on pyrolyzed polyacrylonitrile monolayer containing Fe-Co, Ni-Co and Fe-Ni metal atom pairs and silicon amorphizing admixture. Modern Electronic Materials 6(3): 95-99. https://doi.org/10.3897/j.moem.6.3.63308