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Title: Simulations of singlet exciton diffusion in organic semiconductors: a review

Abstract

Our review describes the various aspects of simulation strategies for exciton diffusion in condensed phase thin films of organic semiconductors. Several methods for calculating energy transfer rate constants are discussed along with procedures for how to account for energetic disorder. Exciton diffusion can be modelled by using kinetic Monte-Carlo methods or master equations. Recent literature on simulation efforts for estimating exciton diffusion lengths of various conjugated polymers and small molecules are introduced. Moreover, these studies are discussed in the context of the effects of morphology on exciton diffusion and the necessity of accurate treatment of disorder for comparison of simulation results with those of experiment.

Authors:
 [1];  [2]
+ Show Author Affiliations
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. TUBITAK Gebze Yerleskesi Marmara Research Center (Turkey)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1254833
Report Number(s):
LA-UR-14-27941
Journal ID: ISSN 2046-2069; RSCACL
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 5; Journal Issue: 11; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; 25 ENERGY STORAGE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; 14 SOLAR ENERGY

Citation Formats

Bjorgaard, Josiah A., and Kose, Muhammet Erkan. Simulations of singlet exciton diffusion in organic semiconductors: a review. United States: N. p., 2014. Web. doi:10.1039/C4RA12409J.
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Bjorgaard, Josiah A., & Kose, Muhammet Erkan. Simulations of singlet exciton diffusion in organic semiconductors: a review. United States. https://doi.org/10.1039/C4RA12409J
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Bjorgaard, Josiah A., and Kose, Muhammet Erkan. Mon . "Simulations of singlet exciton diffusion in organic semiconductors: a review". United States. https://doi.org/10.1039/C4RA12409J. https://www.osti.gov/servlets/purl/1254833.
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@article{osti_1254833,
title = {Simulations of singlet exciton diffusion in organic semiconductors: a review},
author = {Bjorgaard, Josiah A. and Kose, Muhammet Erkan},
abstractNote = {Our review describes the various aspects of simulation strategies for exciton diffusion in condensed phase thin films of organic semiconductors. Several methods for calculating energy transfer rate constants are discussed along with procedures for how to account for energetic disorder. Exciton diffusion can be modelled by using kinetic Monte-Carlo methods or master equations. Recent literature on simulation efforts for estimating exciton diffusion lengths of various conjugated polymers and small molecules are introduced. Moreover, these studies are discussed in the context of the effects of morphology on exciton diffusion and the necessity of accurate treatment of disorder for comparison of simulation results with those of experiment.},
doi = {10.1039/C4RA12409J},
journal = {RSC Advances},
number = 11,
volume = 5,
place = {United States},
year = {Mon Dec 22 00:00:00 EST 2014},
month = {Mon Dec 22 00:00:00 EST 2014}
}
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https://doi.org/10.1039/C4RA12409J
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    journal, May 2018

    • de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob
    • The Journal of Chemical Physics, Vol. 148, Issue 20
    • DOI: 10.1063/1.5024388

    Modeling the effects of molecular disorder on the properties of Frenkel excitons in organic molecular semiconductors
    journal, September 2018

    • Shi, Liang; Willard, Adam P.
    • The Journal of Chemical Physics, Vol. 149, Issue 9
    • DOI: 10.1063/1.5044553

    Investigation of Excitonic Gates in Organic Semiconductor Thin Films
    journal, January 2019

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