2018, vol. 39

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Teraz wyświetlane 1 - 2 z 2

The origin of the interaction responsible for the difference of hole mobility of thwo derivatives of anthracene
(Wydawnictwo Politechniki Łódzkiej, 2018) Kania, Sylwester; Kuliński, Janusz; Sikorski, Dominik
Hole mobility of the layers built from two anthracene derivatives differing in the substitution of the central benzene ring, i.e. anthrone substituted with only one keto group and anthraquinone substituted with two keto groups differs by one order of magnitude despite the fact that both have almost identical crystal structure. We ascribe this difference to existence of an additional intermolecular interaction arising in the layer of anthrone.
Ab initio investigation of ethanol-tetracene interactions during adsorption
(Wydawnictwo Politechniki Łódzkiej, 2018) Kania, Sylwester; Kościelniak-Mucha, Barbara; Słoma, Piotr; Wojciechowski, Krzysztof
Ab initio calculations presented in this work are performed to investigate the geometry, interaction energy and bonding properties of binary complexes formed between neutral ethanol and tetracene molecules. Two different geometries were applied for the study. The interaction energies between molecules in the complex posses minimum at the distance of about 3.6 A among oxygen atom in ethanol and the neighbouring carbon atom of tetracene skeleton.