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

Abstract

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:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1378769
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article: 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
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

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., 2016. 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. https://doi.org/10.1039/c6sc00428h
He, B., Zherebetskyy, D., Wang, H., Kolaczkowski, M. A., Klivansky, L. M., Tan, T., Wang, L., and Liu, Y. Mon . "Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach". United States. https://doi.org/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},
url = {https://www.osti.gov/biblio/1378769}, journal = {Chemical Science},
issn = {2041-6520},
number = 6,
volume = 7,
place = {United States},
year = {2016},
month = {2}
}

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Cited by: 15 works
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    Works referencing / citing this record:

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    journal, January 2018


    Blackening of aza-BODIPY analogues by simple dimerization: panchromatic absorption of a pyrrolopyrrole aza-BODIPY dimer
    journal, January 2018


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