2017, vol. 38
Stały URI dla kolekcjihttp://hdl.handle.net/11652/2836
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Pozycja Sensitivity of tetracene layer as an effect of entanglement(Wydawnictwo Politechniki Łódzkiej, 2017) Kania, Sylwester; Kościelniak-Mucha, Barbara; Kuliński, Janusz; Słoma, Piotr; Wojciechowski, KrzysztofApplication of the method of quantum-mechanical calculations allowed for studies of variability of interactions between molecules of ethanol and tetracene. Entanglement of quantum states is seen during calculations in two ways: as a change of electric dipole moment and as an increase of the basis set superposition error (BSSE) with decreasing distance between molecules under study. There are observed the dependences of the total energy of the system due to the mutual arrangement of the long axes of the molecules and due to the orientation of the bond of the oxygen atom to the carbon atom with respect to the plane of benzene skeleton of tetracene molecule.Pozycja Comparative study of the influence of the reorganization energy on the hole transport of two four-cyclic arenes(Wydawnictwo Politechniki Łódzkiej, 2017) Kania, Sylwester; Kuliński, Janusz; Sikorski, DominikApplication of the method of quantum-mechanical calculations allowed the determination of the reorganization energy of the molecules of tetracene and p-quaterphenyl and the estimation of the transfer rate integral between neighbouring molecules present in the solid state. Comparison of the transfer rates for holes with the values of the mobility, obtained experimentally for the polycrystalline tetracene layers and p-quaterphenyl layers vaporized in the vacuum in the similar conditions indicate that the molecule’s structure possess the dominate impact on the conductivity of the thin layers of these compounds.