Chain conformations dictate multiscale charge transport phenomena in disordered semiconducting polymers

Rodrigo Noriega; Alberto Salleo; Andrew J. Spakowitz

doi:10.1073/pnas.1307158110

Chain conformations dictate multiscale charge transport phenomena in disordered semiconducting polymers

Rodrigo Noriega, Alberto Salleo, Andrew J. Spakowitz

Research output: Contribution to journal › Article › peer-review

123 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	16315-16320
Number of pages	6
Journal	PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume	110
Issue number	41
DOIs	https://doi.org/10.1073/pnas.1307158110
State	Published - 2013
Externally published	Yes

Bibliographical note

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.

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Cite this

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title = "Chain conformations dictate multiscale charge transport phenomena in disordered semiconducting polymers",

abstract = "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.",

author = "Rodrigo Noriega and Alberto Salleo and Spakowitz, {Andrew J.}",

note = "KAUST Repository Item: Exported on 2021-09-21 Acknowledged KAUST grant number(s): KUS-C1-015-21 Acknowledgements: We thank H. B{\"a}ssler 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.",

year = "2013",

doi = "10.1073/pnas.1307158110",

language = "English (US)",

volume = "110",

pages = "16315--16320",

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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.

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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

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DO - 10.1073/pnas.1307158110

M3 - Article

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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 -

Chain conformations dictate multiscale charge transport phenomena in disordered semiconducting polymers

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