Direct and inverse photoemission spectroscopy are used to investigate the electronic polarization P = P + P induced by the pentacene anion and cation at the Au/pentacene interface. Based on the spectroscopic measurements and on previously published calculations, we determine that the total polarization at the metal interface is approximately 0.67 eV larger than at the surface of the pentacene f...

We apply the bootstrap kernel within time-dependent density functional theory to study the one-dimensional chain of polymer polyphenylenevinylene and molecular crystals of picene and pentacene. The absorption spectra of poly(p-phenylenevinylene) has a bound excitonic peak that is well-reproduced. Pentacene and picene, electronically similar materials, have remarkably different excitonic physics...

This study investigates epitaxially oriented pentacene films grown on Cu(110) surfaces crystallizing either in the "thin film" phase with standing molecules or in the "single crystal" structure with molecules lying with their long axes parallel to the substrate.

We have prepared, characterized and surveyed device performance for a series of electron deficient pentacenes for use as acceptors in polymer bulk heterojunction solar cells, using P3HT as the donor material. All of the materials reported here behaved as acceptors, and variations in the position and nature of the electron-withdrawing group on the pentacene core allowed tuning of device open-cir...

We investigate the effect of edge states on the transport properties of pentacene–graphene nanojunctions on the basis of DFT and NEGF formalism. The calculations reveal that strong interaction between pentacene and zigzag GNR leads to edge-induced transmission channels at the Fermi region which controls the low-bias current. Effects of substitution by electron withdrawing and donating groups on...

We used a bilayer field effect transistor (FET) consisting of a thin PbS nanocrystals (NCs) film interfaced with vacuum-deposited pentacene to probe trap states in NCs. We interpret the observed threshold voltage shift in context of charge carrier trapping by PbS NCs and relate the magnitude of the threshold voltage shift to the number of trapped carriers. We explored a series of NC surface lig...

6,13-dihydropentacene and pentacene co-crystallise in a ratio of 2:1 during vapour transport of commercial pentacene in a gas flow. The crystal structure is monoclinic P21/n and contains one dihydropentacene molecule, and half a pentacene molecule in the asymmetric unit. Submitted to Acta Cryst. E. on 23 september 2002, accepted for publication on 7 october 2002. The crystallographic informatio...

High performance thin-film transistors were fabricated using a new precursor of pentacene through a multiple spin-heat procedure. High quality pentacene thin films can be prepared by this method and hence a FET device can be made in a top-contact configuration. The device exhibited a remarkable field-effect mobility of 0.38 cm(2) V(-1) s(-1) with an on/off ratio of 10(6).