Nature of N 2p, Ti 3d, O 2p Hybridization of N-Doped TiO₂ Nanotubes and Superior Photovoltaic Performance through Selective Atomic N Doping

摘要

Mixing it up! N 2p states of N-doped TiO₂ nanotubes become predominant near the Fermi level, which is a discrete energy level at the top edge of a valence band, whereas it deteriorates the good hybridization between Ti 3d and O 2p. This leads to a reduced band gap for selective atomic N-doped nanotubes and gives enhanced photovoltaic performance (see graphic).