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The effect of symmetry of a molecule electronic density on the dipole moment of unit cell and hole conductivity of thin polycrystalline films of anthrone and anthraquinone.
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2016)
The electronic structure of anthrone and anthraquinone molecules in the gas state and in the simulated crystal unit cell were calculated with time dependent-density functional theory (TD-DFT) method. The values of dipole ...
The effect of the dipole moment on hole conductivity of polycrystalline films of two anthracene derivatives
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2017)
Hole mobility in the polycrystalline layers of anthrone and anthraquinone differs in one order of magnitude in spite of nearly the same crystalline structure. The origin of this difference was determined with use of the ...
Polarization of organic aromatic molecule in anionic and cationic state
(Lodz University of Technology PressWydawnictwo Politechniki Łódzkiej, 2019)
The modification of electron states and the change in the geometry of the structure of molecule during hopping transport of charge carriers depends on the symmetry of the molecule. During electric transport the ...