关键词: 恶唑P, 苯乙烯P, 电荷传输, 光敏性, 空穴, 注入效率, 结构与性能关系

The stable geometries of eleven types of charge transfer materials have been optimized by AM1 method. According to the Law's hole- injection model, the relationship between photosensitivity (E~5~0) and the difference in HOMO energy of CGM and CTM(ΔE~T~-~G) has been studied. The results indicate that there is a linear relationship between the lgE~5~0 and (ΔE~T~-~G). The relation coefficient (r=0. 837) for geometry of lower bonding energy is larger than that (r=0. 728) for geometry of higher bonding energy. The linear relationship is somewhat improved (r=0.911) by adding the net charge of the active nitrogen atom. This shows that the photosensitivity of the photoreceptors of the same charge-generating material and the different charge transfer materials mainly depends on the hole injection efficiency from CGL to CTL, and that the hole drift mobility in the CTL also effects its photosensitivity to some extent.

Key words: STYRENE P, PHOTOSENSITIVITY, HOLE, STRUCTURE AND PROPERTY CORRELATION