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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...
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...
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