On the donor-acceptor interaction and electron transfer at the titanium oxide-organic dye interface

The interface formed by a titanium oxide nanoparticle and a set of carboxyl molecules is quantum chemically considered as a chain of building blocks (with a limited size) in the form of binary molecular systems characterized by a strong donor-acceptor interaction. The ultrafast transfer of photoexcited electrons to the conduction band of titanium oxide is explained by the specific composition of the molecular orbitals of the system. © 2007 Pleiades Publishing, Ltd.