Effect of the binuclear Cu(II) complex interface layer on the calculation of electronic properties of Au/Cu(II) complex/n-Si organic–inorganic hybrid heterojunction

Electronic properties of organic–inorganic (OI) hybrid heterojunction fabricated by forming a thin macrocyclic diamagnetic and binuclear Cu(II) complex [Cu2(L)(ClO4)2][ClO4]2 (where L is C33H32N2O4) film on n-Si wafer have been studied. The Au/Cu(II) complex/n-Si contact has a rectifying behavior with the barrier height of 0.96 eV and the ideality factor of 2.96 determined from forward-bias current–voltage (I–V) characteristics at room temperature. The energy distribution of the interface state density (Nss) in the semiconductor band gap at Cu(II) complex/n-Si interface obtained from I–V characteristics ranges from 1.62 × 1013 cm−2 eV−1 at (Ec − 0.66) eV to 6.82 × 1012 cm−2 eV−1 at (Ec − 0.9) eV.