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Title: Charge transport network dynamics in molecular aggregates

Abstract

Significance Time-dependent network analysis is used to describe the structural dynamics underpinning electron transport in disordered aggregates of molecular materials, advancing understanding of how charges move through noncrystalline aggregates. Specifically, our methodology allows for the characterization of how collective, dynamic fluctuations in the 3N nuclear degrees of freedom of the disordered multimolecule aggregate impact the statistically averaged charge motion through that aggregate. Our results describe the characteristic timescales over which electron hopping competes with nuclear reorganization, providing insight into the fundamental timescales governing charge transport in disordered systems.

Authors:
 [1];  [2];  [1]
+ Show Author Affiliations
  1. Department of Chemistry, Northwestern University, Evanston, IL 60208,
  2. Department of Chemistry, Northwestern University, Evanston, IL 60208,, Chemical Science and Engineering Division, Argonne National Laboratory, Lemont, IL 60439
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Argonne-Northwestern Solar Energy Research Center (ANSER)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1267525
Alternate Identifier(s):
OSTI ID: 1388188
Grant/Contract Number:  
DC-SC0001059; SC0001059
Resource Type:
Published Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 113 Journal Issue: 31; Journal ID: ISSN 0027-8424
Publisher:
Proceedings of the National Academy of Sciences
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; catalysis (homogeneous); catalysis (heterogeneous); solar (photovoltaic); solar (fuels); photosynthesis (natural and artificial); bio-inspired; hydrogen and fuel cells; electrodes - solar; defects; charge transport; spin dynamics; membrane; materials and chemistry by design; optics; synthesis (novel materials); synthesis (self-assembly)

Citation Formats

Jackson, Nicholas E., Chen, Lin X., and Ratner, Mark A. Charge transport network dynamics in molecular aggregates. United States: N. p., 2016. Web. doi:10.1073/pnas.1601915113.
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Jackson, Nicholas E., Chen, Lin X., & Ratner, Mark A. Charge transport network dynamics in molecular aggregates. United States. https://doi.org/10.1073/pnas.1601915113
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Jackson, Nicholas E., Chen, Lin X., and Ratner, Mark A. Wed . "Charge transport network dynamics in molecular aggregates". United States. https://doi.org/10.1073/pnas.1601915113.
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@article{osti_1267525,
title = {Charge transport network dynamics in molecular aggregates},
author = {Jackson, Nicholas E. and Chen, Lin X. and Ratner, Mark A.},
abstractNote = {Significance Time-dependent network analysis is used to describe the structural dynamics underpinning electron transport in disordered aggregates of molecular materials, advancing understanding of how charges move through noncrystalline aggregates. Specifically, our methodology allows for the characterization of how collective, dynamic fluctuations in the 3N nuclear degrees of freedom of the disordered multimolecule aggregate impact the statistically averaged charge motion through that aggregate. Our results describe the characteristic timescales over which electron hopping competes with nuclear reorganization, providing insight into the fundamental timescales governing charge transport in disordered systems.},
doi = {10.1073/pnas.1601915113},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 31,
volume = 113,
place = {United States},
year = {Wed Jul 20 00:00:00 EDT 2016},
month = {Wed Jul 20 00:00:00 EDT 2016}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1073/pnas.1601915113
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