화학공학소재연구정보센터
Journal of Chemical Physics, Vol.121, No.1, 517-524, 2004
Manifestation of grain boundaries in the transport properties of p-sexiphenyl films
Direct current conductivity of p-sexiphenyl films with 0.2-2.5 mum thickness deposited on glass substrates was investigated at temperatures between 10 and 300 K. The molecular dynamics simulations and quantum chemical calculations of the experimentally observed conductivity have shown that there exist at least three different states of the films effectively contributing to the observed features of the dc conductivity: conductivity caused by proper crystalline states, conductivity originated from amorphous-like inter-grain region and caused by grain's boundary. Comparison of the experimental data and theoretically calculated dependences shows that the main contribution to the observed dc conductivity gives grain boundaries between polycrystalline grains and amorphous-like background, though the latter possesses a relatively low part of the total volume. (C) 2004 American Institute of Physics.