Charge transport network dynamics in molecular aggregates

Jackson, Nicholas E.; Chen, Lin X.; Ratner, Mark A.

doi:10.1073/pnas.1601915113

Title: Charge transport network dynamics in molecular aggregates

Journal Article · Wed Jul 20 00:00:00 EDT 2016 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1601915113· OSTI ID:1267525

Jackson, Nicholas E. ^[1]; Chen, Lin X. ^[2]; Ratner, Mark A. ^[1]

Department of Chemistry, Northwestern University, Evanston, IL 60208,
Department of Chemistry, Northwestern University, Evanston, IL 60208,, Chemical Science and Engineering Division, Argonne National Laboratory, Lemont, IL 60439

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.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Argonne-Northwestern Solar Energy Research Center (ANSER)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: DC-SC0001059; SC0001059

OSTI ID:: 1267525

Alternate ID(s):: OSTI ID: 1388188

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Vol. 113 Journal Issue: 31; ISSN 0027-8424

Publisher:: Proceedings of the National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 22 works

Citation information provided by
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Title: Charge transport network dynamics in molecular aggregates

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