Search

Potassium-ion-doped MnO2 has been successfully synthesized using the hydrothermal method, and the influence of the doped potassium ions on the electrical conductivity and permittivity is studied. X-ray powder diffraction, scanning electron microscopy, electron-probe micro-analysis, and a vector network analyzer are used to perform characterization. The densities of states of doped and undoped MnO2 tunnel structures are also discussed based on first-principles calculations. Results show that the conductivity and dielectric resonance of MnO2 can be elevated by means of K+ doping. The conductivity of K+-doped MnO2 prepared at different reaction times shows a decreasing trend and is generally 1 order of magnitude higher than that of pure MnO2. The electrical conductivity of K+-doped MnO2 (R3) shows the highest value of 3.33 × 10−2 S/cm at the reaction time of 24 h, while that of pure MnO2 is 8.50 × 10−4 S/cm. When treated with acid, the conductivity of samples remains basically stable along with the increase of treatment time. In addition, acid treatment plays a very significant role in controlling the amount of K+ ions in crystals. The K+ contents of acid-treated samples are 5 times lower than that of the untreated R1. The dielectric losses of the samples with different reaction times are enhanced markedly with frequency increment. The complex permittivity of pure MnO2 only exhibits a resonance at ∼12 GHz, while K+-doped MnO2 exhibits another resonance behavior at ∼9 GHz. The capacity of the dielectric property in the net structure is enhanced by the interfacial polarization, dielectric relaxation, multiple internal reflections, and multiple scattering benefiting. [ABSTRACT FROM AUTHOR]

Hollow microstructures assembled of tetragonal MnO2 nano-columns have been synthesized through a facile hydrothermal method with the introduction of iron ions. The obtained samples were characterized by XRD, SEM, and vector network analysis. Results reveal that the presence of Fe3+ ions leads to transformation of phase structure from α-MnO2 to a mixture of &eh;-MnO2 and α-MnO2, and it is essential to include Fe3+ ions for the formation of the hollow MnO2 microstructures. The formation mechanism was investigated and proposed in detail. Fe-doped MnO2 exhibits decreased dielectric loss, but increased magnetic loss compared with the pure one. [ABSTRACT FROM AUTHOR]

The intramolecular charge transfer properties of a phenyl-end-capped aniline tetramer (ANIH) and a chloro-substituted derivative (ANICl) as organic semiconductors were theoretically studied through the first-principles calculation based on the Marcus-Hush theory. The reorganization energies, intermolecular electronic couplings, angular resolution anisotropic mobilities, and density of states of the two crystals were evaluated. The calculated results demonstrate that both ANIH and ANICl crystals show the higher electron transfer mobilities than the hole-transfer mobilities, which means that the two crystals should prefer to function as n-type organic semiconductors. Furthermore, the angle dependence mobilities of the two crystals show remarkable anisotropic character. The maximum mobility μ max of ANIH and ANICl crystals is 1.3893 and 0.0272 cm 2 V -1 s -1 , which appear at the orientation angles near 176°/356° and 119°/299° of a conducting channel on the a-b reference plane. It is synthetically evaluated that the ANIH crystal possesses relatively lower reorganization energy, higher electronic coupling, and electron transfer mobility, which means that the ANIH crystal may be the more ideal candidate as a high performance n-type organic semiconductor material. The systematic theoretical studies on organic crystals should be conducive to evaluating the charge-transport properties and designing higher performance organic semiconductor materials.