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Title: Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors

Abstract

High thermal stability and anisotropic molecular orientation enhance the performance of vapor-deposited organic semiconductors, but controlling these properties is a challenge in amorphous materials. To understand the influence of molecular shape on these properties, vapor-deposited glasses of three disk-shaped molecules were prepared. For all three systems, enhanced thermal stability is observed for glasses prepared over a wide range of substrate temperatures and anisotropic molecular orientation is observed at lower substrate temperatures. For two of the disk-shaped molecules, atomistic simulations of thin films were also performed and anisotropic molecular orientation was observed at the equilibrium liquid surface. We find that the structure and thermal stability of these vapor-deposited glasses results from high surface mobility and partial equilibration toward the structure of the equilibrium liquid surface during the deposition process. For the three molecules studied, molecular shape is a dominant factor in determining the anisotropy of vapor-deposited glasses.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States
  2. Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States
Publication Date:
Research Org.:
Univ. of Wisconsin, Madison, WI (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1413157
Alternate Identifier(s):
OSTI ID: 1473853
Grant/Contract Number:  
SC0002161
Resource Type:
Published Article
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Name: Journal of Physical Chemistry Letters Journal Volume: 8 Journal Issue: 14; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Walters, Diane M., Antony, Lucas, de Pablo, Juan J., and Ediger, M. D. Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors. United States: N. p., 2017. Web. doi:10.1021/acs.jpclett.7b01097.
Walters, Diane M., Antony, Lucas, de Pablo, Juan J., & Ediger, M. D. Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors. United States. doi:10.1021/acs.jpclett.7b01097.
Walters, Diane M., Antony, Lucas, de Pablo, Juan J., and Ediger, M. D. Tue . "Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors". United States. doi:10.1021/acs.jpclett.7b01097.
@article{osti_1413157,
title = {Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors},
author = {Walters, Diane M. and Antony, Lucas and de Pablo, Juan J. and Ediger, M. D.},
abstractNote = {High thermal stability and anisotropic molecular orientation enhance the performance of vapor-deposited organic semiconductors, but controlling these properties is a challenge in amorphous materials. To understand the influence of molecular shape on these properties, vapor-deposited glasses of three disk-shaped molecules were prepared. For all three systems, enhanced thermal stability is observed for glasses prepared over a wide range of substrate temperatures and anisotropic molecular orientation is observed at lower substrate temperatures. For two of the disk-shaped molecules, atomistic simulations of thin films were also performed and anisotropic molecular orientation was observed at the equilibrium liquid surface. We find that the structure and thermal stability of these vapor-deposited glasses results from high surface mobility and partial equilibration toward the structure of the equilibrium liquid surface during the deposition process. For the three molecules studied, molecular shape is a dominant factor in determining the anisotropy of vapor-deposited glasses.},
doi = {10.1021/acs.jpclett.7b01097},
journal = {Journal of Physical Chemistry Letters},
number = 14,
volume = 8,
place = {United States},
year = {2017},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1021/acs.jpclett.7b01097

Citation Metrics:
Cited by: 11 works
Citation information provided by
Web of Science

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Works referenced in this record:

Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors
dataset, January 2017

  • Walters, Diane; Antony, Lucas; De Pablo, Juan
  • University of Wisconsin-Madison University of Chicago
  • DOI: 10.11578/1372474

Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors
dataset, January 2017

  • Walters, Diane; Antony, Lucas; De Pablo, Juan
  • University of Wisconsin-Madison University of Chicago
  • DOI: 10.11578/1372474

    Works referencing / citing this record:

    Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors
    dataset, January 2017

    • Walters, Diane; Antony, Lucas; De Pablo, Juan
    • University of Wisconsin-Madison University of Chicago
    • DOI: 10.11578/1372474

    Solubilizing core modifications on high-performing benzodithiophene-based molecular semiconductors and their influences on film nanostructure and photovoltaic performance
    journal, January 2019

    • Lee, Calvin J.; Mitchell, Valerie D.; White, Jonathan
    • Journal of Materials Chemistry A, Vol. 7, Issue 11
    • DOI: 10.1039/c9ta00168a

    Solubilizing core modifications on high-performing benzodithiophene-based molecular semiconductors and their influences on film nanostructure and photovoltaic performance
    journal, January 2019

    • Lee, Calvin J.; Mitchell, Valerie D.; White, Jonathan
    • Journal of Materials Chemistry A, Vol. 7, Issue 11
    • DOI: 10.1039/c9ta00168a