TY - JOUR
T1 - Chain conformations dictate multiscale charge transport phenomena in disordered semiconducting polymers
AU - Noriega, Rodrigo
AU - Salleo, Alberto
AU - Spakowitz, Andrew J.
N1 - KAUST Repository Item: Exported on 2021-09-21
Acknowledged KAUST grant number(s): KUS-C1-015-21
Acknowledgements: We thank H. Bässler for his comments in the preparation of this manuscript. This work is partially supported by the Center for Advanced Molecular Photovoltaics Award KUS-C1-015-21 made by King Abdullah University of Science and Technology (to R.N. and A.S.), and the National Science Foundation (A.S.). A.J.S. acknowledges funding support from the School of Engineering at Stanford University.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.
PY - 2013
Y1 - 2013
N2 - Existing models for the electronic properties of conjugated polymers do not capture the spatial arrangement of the disordered macromolecular chains over which charge transport occurs. Here, we present an analytical and computational description in which the morphology of individual polymer chains is dictated bywell-known statistical models and the electronic coupling between units is determined using Marcus theory. The multiscale transport of charges in these materials (high mobility at short length scales, low mobility at long length scales) is naturally described with our framework. Additionally, the dependence of mobility with electric field and temperature is explained in terms of conformational variability and spatial correlation. Ourmodel offers a predictive approach to connecting processing conditions with transport behavior.
AB - Existing models for the electronic properties of conjugated polymers do not capture the spatial arrangement of the disordered macromolecular chains over which charge transport occurs. Here, we present an analytical and computational description in which the morphology of individual polymer chains is dictated bywell-known statistical models and the electronic coupling between units is determined using Marcus theory. The multiscale transport of charges in these materials (high mobility at short length scales, low mobility at long length scales) is naturally described with our framework. Additionally, the dependence of mobility with electric field and temperature is explained in terms of conformational variability and spatial correlation. Ourmodel offers a predictive approach to connecting processing conditions with transport behavior.
UR - http://hdl.handle.net/10754/671352
UR - http://www.pnas.org/cgi/doi/10.1073/pnas.1307158110
UR - http://www.scopus.com/inward/record.url?scp=84885345810&partnerID=8YFLogxK
U2 - 10.1073/pnas.1307158110
DO - 10.1073/pnas.1307158110
M3 - Article
SN - 0027-8424
VL - 110
SP - 16315
EP - 16320
JO - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
JF - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IS - 41
ER -