2020, vol. 41
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Pozycja Electrical and thermal properties of anthrone(Wydawnictwo Politechniki Łódzkiej, 2020) Kania, Sylwester; Kuliński, Janusz; Sikorski, DominikQuantum-chemical density functional theorem (DFT) calculations indicate that the value of the reorganization energy indicates the possibility of efficient hole capture by the anthrone molecule during transport process of charge carriers. Differential scanning calorimetry (DSC) studies indicate the temperature stability of anthrone molecules above the melting point up to 164°C. The glass transition is determined at 153.7 °C and melting point at 157.05 °C.Pozycja A DFT study of reorganization energy of some chosen carbazole derivatives(Wydawnictwo Politechniki Łódzkiej, 2020) Kania, Sylwester; Kościelniak-Mucha, Barbara; Kuliński, Janusz; Słoma, Piotr; Wojciechowski, KrzysztofStrong efforts toward finding an organic semiconductor with a molecule characterized by a low charge transfer energy applying quantum-chemical calculations are undertaken. Density Functional Theory (DFT) calculations made for carbazole (Cz) and three isomers of benzocarbazole, benzo (a) carbazole (BaCz), benzo (b) carbazole (BbCz) and benzo (c) carbazole (BcCz) proves the possibility of lacking the growth of reorganization energy despite the molecule dimentions enlargement. Benzo(b)carbazole molecules with high longitudinal dimension of the rigid skeleton d = 9,05 Å posses the low value of reorganization energy for both hole and electron transport of 0,18 eV and 0,11 eV, respectively. We suggest that the reduction of reorganization energy may be related to the diminishing of intramolecular hydrogen interactions.Pozycja Comparison of some properties and molecular structure of MHPOBC and chlorinated MHPOBC(Wydawnictwo Politechniki Łódzkiej, 2020) Bąk, Grzegorz W.Comparison of molecular structure of MHPOBC and chlorinated MHPOBC has been made and presented in the paper. The main difference in molecular structure of MHPOBC and chlorinated MHPOBC molecules consists in different properties of two chemical bonds between the benzene ring with substituted chlorine atom and neighbouring parts of molecule. For chlorinated version of MHPOBC the component of molecular dipole moment perpendicular to the long axis of molecule is substantially smaller than for MHPOBC molecules. As a result of chlorination core of MHPOBC molecules becomes more flexible. These differences of molecular structure lead to easily noticeable differences in macroscopic properties of MHPOBC and its chlorinated version.Pozycja Flexoelectro-optic effect with large rotation angle of optic axis(Wydawnictwo Politechniki Łódzkiej, 2020) Buczkowska, MariolaThe flexoelectro-optic effect in layers of chiral nematics was investigated numerically. The simulations concerned short pitch materials with the helix axis parallel to the layer plane. Configurations which allow to avoid accumulation of ions at the electrodes and are suitable for square-wave driving voltage were considered. They were related to large rotation angles of the optical axis of the layer about the normal to the layer. Influence of chosen parameters on efficiency of the electro-optic effect was studied.