Modeling charge transport in organic photovoltaic materials

J Nelson, JJ Kwiatkowski, J Kirkpatrick… - Accounts of chemical …, 2009 - ACS Publications
The performance of an organic photovoltaic cell depends critically on the mobility of charge
carriers within the constituent molecular semiconductor materials. However, a complex …

Microscopic simulations of charge transport in disordered organic semiconductors

V Rühle, A Lukyanov, F May, M Schrader… - Journal of chemical …, 2011 - ACS Publications
Charge carrier dynamics in an organic semiconductor can often be described in terms of
charge hopping between localized states. The hopping rates depend on electronic coupling …

Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics

X Feng, V Marcon, W Pisula, MR Hansen… - Nature materials, 2009 - nature.com
Discotic liquid crystals are a promising class of materials for molecular electronics thanks to
their self-organization and charge transporting properties. The best discotics so far are built …

[图书][B] Chemistry of discotic liquid crystals: from monomers to polymers

S Kumar - 2016 - books.google.com
Fundamentally important as models for the study of energy and charge migration in self-
organized systems, discotic liquid crystals find functional application as one-dimensional …

Molecular simulation of liquid crystals

MP Allen - Molecular Physics, 2019 - Taylor & Francis
This article reviews recent progress in the computer simulation of liquid crystals at the
molecular level. It covers the use of simple rigid-body models of the constituent molecules …

Modeling of organic light emitting diodes: From molecular to device properties

P Kordt, JJM Van Der Holst, M Al Helwi… - Advanced Functional …, 2015 - Wiley Online Library
The progress in modeling of charge transport in disordered organic semiconductors on
various length scales, from atomistic to macroscopic, is reviewed. This includes evaluation of …

Effect of polymorphism, regioregularity and paracrystallinity on charge transport in poly (3-hexylthiophene)[P3HT] nanofibers

C Poelking, D Andrienko - Macromolecules, 2013 - ACS Publications
We investigate the relationship between molecular order and charge-transport parameters
of the crystalline conjugated polymer poly (3-hexylthiophene)(P3HT), with a particular …

Charge transport in semiconductors with multiscale conformational dynamics

A Troisi, DL Cheung, D Andrienko - Physical review letters, 2009 - APS
In partially ordered organic semiconductors, the characteristic times of nuclear motion are
comparable to those of charge carrier dynamics. It is impossible to describe charge transport …

Graphitic Nanoribbons with Dibenzo[e,l]pyrene Repeat Units: Synthesis and Self-Assembly

Y Fogel, L Zhi, A Rouhanipour, D Andrienko… - …, 2009 - ACS Publications
A novel homologous series of five monodisperse ribbon-type polyphenylenes, with rigid
dibenzo [e, l] pyrene cores in the repeat units, are synthesized by a microwave-assisted …

A multiscale description of charge transport in conjugated oligomers

V Rühle, J Kirkpatrick, D Andrienko - The Journal of chemical physics, 2010 - pubs.aip.org
By relating inter-and intrachain ordering to charge dynamics a correlation between the
morphology and charge mobility of neutral and doped states of a conjugated polymer, in this …