Supramolecular structure of perylene tetracarboxdiimides

被引：32

作者：

Marcon, V. ^{[1
]}

Kirkpatrick, J. ^{[1
,2
]}

Pisula, W. ^{[1
]}

Andrienko, D. ^{[1
]}

机构：

[1] Max Planck Inst Polymer Res, D-55128 Mainz, Germany

[2] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2BW, England

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2008年 / 245卷 / 05期

关键词：

D O I：

10.1002/pssb.200743436

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using atomistic molecular dynamics (MD) simulations we study the columnar phases of perylene tetraearboxdiimides (PDI) and establish correlations between the molecular structure, packing, and dynamical properties of these materials. Combining electronic structure calculations, MD and kinetic Monte Carlo simulations, a correlation is then established between molecular structure and charge mobility of columnar mesophases of perylene tetracarboxdiimide derivatives. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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页码：820 / 824

页数：5

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