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Title: Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach

We have demonstrated a rational two-dimensional (2D) conjugation approach towards achieving panchromatic absorption of small molecules. Furthermore, by extending the conjugation on two orthogonal axes of an electron acceptor, namely, bay-annulated indigo (BAI), the optical absorptions could be tuned independently in both high- and low-energy regions. The unconventional modulation of the high-energy absorption is rationalized by density functional theory (DFT) calculations. Finally, we determine that a 2D tuning strategy provides novel guidelines for the design of molecular materials with tailored optoelectronic properties.
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [1] ;  [3] ;  [2] ;  [1]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division
  3. Beijing Univ. of Chemical Technology, Beijing (China). Beijing Key Lab of Bioprocess
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Chemical Science
Additional Journal Information:
Journal Volume: 7; Journal Issue: 6; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1378769

He, B., Zherebetskyy, D., Wang, H., Kolaczkowski, M. A., Klivansky, L. M., Tan, T., Wang, L., and Liu, Y.. Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach. United States: N. p., Web. doi:10.1039/c6sc00428h.
He, B., Zherebetskyy, D., Wang, H., Kolaczkowski, M. A., Klivansky, L. M., Tan, T., Wang, L., & Liu, Y.. Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach. United States. doi:10.1039/c6sc00428h.
He, B., Zherebetskyy, D., Wang, H., Kolaczkowski, M. A., Klivansky, L. M., Tan, T., Wang, L., and Liu, Y.. 2016. "Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach". United States. doi:10.1039/c6sc00428h. https://www.osti.gov/servlets/purl/1378769.
@article{osti_1378769,
title = {Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach},
author = {He, B. and Zherebetskyy, D. and Wang, H. and Kolaczkowski, M. A. and Klivansky, L. M. and Tan, T. and Wang, L. and Liu, Y.},
abstractNote = {We have demonstrated a rational two-dimensional (2D) conjugation approach towards achieving panchromatic absorption of small molecules. Furthermore, by extending the conjugation on two orthogonal axes of an electron acceptor, namely, bay-annulated indigo (BAI), the optical absorptions could be tuned independently in both high- and low-energy regions. The unconventional modulation of the high-energy absorption is rationalized by density functional theory (DFT) calculations. Finally, we determine that a 2D tuning strategy provides novel guidelines for the design of molecular materials with tailored optoelectronic properties.},
doi = {10.1039/c6sc00428h},
journal = {Chemical Science},
number = 6,
volume = 7,
place = {United States},
year = {2016},
month = {2}
}

Works referenced in this record:

Nitrile-Substituted QA Derivatives: New Acceptor Materials for Solution-Processable Organic Bulk Heterojunction Solar Cells
journal, April 2011
  • Zhou, Tianlei; Jia, Tao; Kang, Bonan
  • Advanced Energy Materials, Vol. 1, Issue 3, p. 431-439
  • DOI: 10.1002/aenm.201100082

A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films
journal, October 1991
  • O'Regan, Brian; Grätzel, Michael
  • Nature, Vol. 353, Issue 6346, p. 737-740
  • DOI: 10.1038/353737a0

Molecular Design and Ordering Effects in π-Functional Materials for Transistor and Solar Cell Applications
journal, December 2011
  • Beaujuge, Pierre M.; Fréchet, Jean M. J.
  • Journal of the American Chemical Society, Vol. 133, Issue 50, p. 20009-20029
  • DOI: 10.1021/ja2073643

Color Control in π-Conjugated Organic Polymers for Use in Electrochromic Devices
journal, January 2010
  • Beaujuge, Pierre M.; Reynolds, John R.
  • Chemical Reviews, Vol. 110, Issue 1, p. 268-320
  • DOI: 10.1021/cr900129a

Polymer–Fullerene Composite Solar Cells
journal, January 2008
  • Thompson, Barry C.; Fréchet, Jean M. J.
  • Angewandte Chemie International Edition, Vol. 47, Issue 1, p. 58-77
  • DOI: 10.1002/anie.200702506