| 초록 |
Polyaniline (PANI), one of the conducting polymer family, has attracted huge interest owing to its excellent optoelectric properties. Recently, many researchers have linked the crystallinity of PANI with its conductivity and revealed that the conductivity of PANI strongly depends on the degree of crystallinity. Among a variety of methods to control the morphology of PANI, self-assembly on the crystalline template (ice substrate in this study) is facile and efficient method. To gain atomistic understandings and theoretical insights in self-assembly structure of PANI, we adapted computational chemistry. Especially, atomistic molecular dynamic simulation has achieved very successful high resolution calculations in interfacial phenomena. In this presentation, we present the first understanding self-assembled structures of PANI on various planes of crystalline ice template using molecular dynamic simulations. |
