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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 origin of the interaction responsible for the difference of hole mobility of thwo derivatives of anthracene
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2018)
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 ...
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 ...
Electrical and thermal properties of anthrone
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology Press, 2020)
Quantum-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 ...