Local Trapping States for Charge Carriers in Molecular Crystals

Study on Electronic Properties of Composite Clusters toward Nanoscale Functional Advanced Materials

“…Note that the contribution of lattice relaxation energy is ignored, because it is usually negligibly small (few tens of meV). 134,143,156159 The EA a of a Nph molecule 160 has been reported to be a negative value of ¹0.19 eV (Note that monomeric Nph ¹ is not produced in the beam), while the EA a of Ac and Tc molecules determined are 0.53 and 1.06 eV, respectively. By Munn and co-workers, the P eff ¹ of the Nph/Ac/Tc single crystal have been theoretically estimated as ¹1.05/¹1.01/¹0.92 eV, 138 respectively.…”

“…These facts surprisingly demonstrate largely localized nature of polarization in a cluster analogue of polyacene single crystal, which has been generally believed to extend over many lattice constants in OMCs. 134,135 Namely, it can be concluded that isomer II (with n ² 60) of polyacene clusters is the cluster analogue of "polaron" in bulk crystal.…”