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

He, B.; Zherebetskyy, D.; Wang, H.; Kolaczkowski, M. A.; Klivansky, L. M.; Tan, T.; Wang, L.; Liu, Y.

doi:10.1039/c6sc00428h

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

Journal Article · Mon Feb 29 00:00:00 EST 2016 · Chemical Science

DOI:https://doi.org/10.1039/c6sc00428h· OSTI ID:1378769

He, B. ^[1]; Zherebetskyy, D. ^[2]; Wang, H. ^[3]; Kolaczkowski, M. A. ^[1]; Klivansky, L. M. ^[1]; Tan, T. ^[3]; Wang, L. ^[2]; Liu, Y. ^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division
Beijing Univ. of Chemical Technology, Beijing (China). Beijing Key Lab of Bioprocess

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

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

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1378769

Journal Information:: Chemical Science, Vol. 7, Issue 6; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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