Structure and Dynamics of a Model Discotic Organic Conducting Material

3rd Euro-Mediterranean Conference on Materials and Renewable Energies

材料科学;能源学

Zbiri, Mohamed^1 ; Haverkate, Lucas A.^2 ; Kearley, Gordon J.^3 ; Johnson, Mark R.^1 ; Mulder, Fokko M.^2

Institut Max von Laue-Paul Langevin, Grenoble

CS 20156, France^1

Faculty of Applied Sciences, Reactor Institute Delft, TU-Delft, Delft, Netherlands^2

Australian Nuclear Science and Technology Organisation, Lucas Heights

NSW, Australia^3

关键词: Discotic liquid crystal;    Microscopic levels;    Molecular dynamics simulations;    Neutron measurements;    Organic conducting materials;    Organic materials;    Quasielastic scattering;    Structure and dynamics;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/758/1/012012/pdf
DOI  :  10.1088/1742-6596/758/1/012012

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

Organic conducting materials exhibit promising functionalities, inducing hence a keen interest due to their potential use as a next generation photoconverters. However, unlike the more expensive inorganic analogues, the underlying properties that give rise to these advantages also cause organic materials to be inherently inefficient as photovoltaics. Understanding their properties at the microscopic level is a major step towards an efficient and targeted design. We probed the morphological and dynamical aspects of a model organic discotic liquid crystal material hexakis(n-hexyloxy)triphenylene (HAT6) by using neutron-based diffraction and quasielastic scattering techniques to gain deeper insights into structure and dynamics. The neutron measurements are accompanied, in a synergistic way, by molecular dynamics simulations for the sake of the analysis and interpretation of the observations.