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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 ...
Effect of molecule dipolemoment on hole conductivity of polycrystalline anthrone and anthrachinone layers.
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2015)
Complex analyzes were made using methods of molecular
quantum mechanics to investigate the effect of the dipole moment of the molecule carrier drift mobility in polycrystalline layers composed of anthrone and anthrachinone ...
Sensitivity of tetracene layer as an effect of entanglement
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2017)
Application 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 ...
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 ...
Charge carrier mobility in non-equilibrated transport in molecular materials
(Lodz University of Technology PressWydawnictwo Politechniki Łódzkiej, 2019)
Non-equilibrated transport of charge carriers in the molecular material depends on the structure and packing of the molecules. Explanation of the measurements of the photocurrent generated with ...
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 ...
Ab initio investigation of ethanol-tetracene interactions during adsorption
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2018)
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 ...
A DFT study of reorganization energy of some chosen carbazole derivatives
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology Press, 2020)
Strong 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 ...