The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
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...
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 Å among oxygen atom in ethanol and the...
Application 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...
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 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...
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 quantum-mechanical calculations carried out at the density functional theory level using the B3lYP functional in conjunction with the 6-311++G(d,p) basis set. Based on theses calculations,...
We present a calculation method for elimination of the effect of the RC constant of the measuring circuit in the time-of-flight (TOF) measurements where a pulse generation of the photocurrent in a thin layer of low-molecular organic material is exploited. Presented method allows to eliminate the influence of the component of displacement current related to dielectric losses and obtaining the actual...
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 moment of single molecule and of single crystal unit cell were also determined with TD-DFT method. The results of TD-DFT were compared with known crystal structures of both compounds...
Additional disorder induced by adsorption processes by the molecule of ambient are responsible for deep modulation of conductivity. Observations confirmed the dominated role of the increase of the free carrier concentration due to the increse the shallow trap concentration, for modulation of the conductivity.
Cubic spline interpolation gives a tool for obtaining good image of current-voltage characteristics for trap spectroscopy analysis without prior assumption about the trap distribution for 1-acenaphthenol and 9,10-dimethylanthracene.
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 molecules. The differences in the measured mobility values seems to be originated in the variations of the geometry of the frontier orbitals rather than the differences inherent...
The current-voltage (I-U) characteristics we have been measured for thin films of 1-acenaphthenol and 9,10-dimethylanthracene prepared from their commercially available materials as products with purity ≥ 10-3mass %. Using the method of differential processing of the characteristics, charge transport mechanism in these films was assessed.
Injection of carriers into thin layers of acenes due to adsorption of ethanol activator molecules is considered as a electron transfer reaction between two phases. Complexity of the processes may be diminished with applying electron transfer theory in the meaning of Marcus.
The activation process and the transport process for electrons in the tetracene layers and holes in the p-quaterphenyl layers is considered. Observed dependence of the conductivity on the vapor concentration of the activator molecules may suggests influence of collisions as a source of injection of charge through the surface potential barrier of adsorption. Applied model of two-body interactions in...
Spectral grade materials obtained in zone-melting process from commercially available 1-acenaphthenol and 9,10-dimethyl-anthracene were characterized electrically. The layers vaporized in 10-5 Torr vacuum posses high resistivity of the order of 1011 - 1012 Ωm and the concentration of traps lower than 1015cm-3.
The activation process and the transport process for electrons in the tetracene layers and holes in the p-quaterphenyl layers is considered. Observed dependence of the conductivity on the vapor concentration of the activator molecules may suggests influence of collisions as a source of injection of the charge through surface potential barrier of adsorption.
Transport processes enhanced by absorption of the volatile ethanol on the tetracene and p-quaterphenyl films are considered. Obtained results may approve chemisorption's mechanism with hydrogen bonding.
Transport processes enhanced by absorption of the volatile ethanol on the tetracene and p-quaterphenyl films are considered. Obtained results may suggest injection of the charge during chemisorptions. There was observed a deep modulation of conductivity due to absorption of ethanol, this dependence suggests some ability to utilize.
The activation process and the transport process for electrons in the tetracene layers and holes in the p-quaterphenyl layers is considered. Obtained results may suggests the hopping transport through the localized states near the Fermi level as a dominant kind of transport. Observed dependence of the conductivity on the vapor concentration of the activator molecules may suggest that tetracene is...
The activation process and the transport process for electrons in the tetracene layers is considered. Obtained results may suggests the hopping transport through the localized states near the Fermi level as a dominant kind of transport. Observed dependence of the conductivity on the vapor concentration of the activator molecules may suggest some ability to utilize.
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.