Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.
Publication
, Journal Article
Rupakheti, C; Al-Saadon, R; Zhang, Y; Virshup, AM; Zhang, P; Yang, W; Beratan, DN
Published in: Journal of chemical theory and computation
April 2016
Organic light-emitting diodes (OLEDs) have wide-ranging applications, from lighting to device displays. However, the repertoire of organic molecules with efficient blue emission is limited. To address this limitation, we have developed a strategy to design property-optimized, diversity-oriented libraries of structures with favorable fluorescence properties. This approach identifies novel diverse candidate organic molecules for blue emission with strong oscillator strengths and low singlet-triplet energy gaps that favor thermally activated delayed fluorescence (TADF) emission.
Duke Scholars
Altmetric Attention Stats
Dimensions Citation Stats
Published In
Journal of chemical theory and computation
DOI
EISSN
1549-9626
ISSN
1549-9618
Publication Date
April 2016
Volume
12
Issue
4
Start / End Page
1942 / 1952
Related Subject Headings
- Chemical Physics
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0803 Computer Software
- 0601 Biochemistry and Cell Biology
- 0307 Theoretical and Computational Chemistry
Citation
APA
Chicago
ICMJE
MLA
NLM
Rupakheti, C., Al-Saadon, R., Zhang, Y., Virshup, A. M., Zhang, P., Yang, W., & Beratan, D. N. (2016). Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes. Journal of Chemical Theory and Computation, 12(4), 1942–1952. https://doi.org/10.1021/acs.jctc.5b00829
Rupakheti, Chetan, Rachael Al-Saadon, Yuqi Zhang, Aaron M. Virshup, Peng Zhang, Weitao Yang, and David N. Beratan. “Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.” Journal of Chemical Theory and Computation 12, no. 4 (April 2016): 1942–52. https://doi.org/10.1021/acs.jctc.5b00829.
Rupakheti C, Al-Saadon R, Zhang Y, Virshup AM, Zhang P, Yang W, et al. Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes. Journal of chemical theory and computation. 2016 Apr;12(4):1942–52.
Rupakheti, Chetan, et al. “Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.” Journal of Chemical Theory and Computation, vol. 12, no. 4, Apr. 2016, pp. 1942–52. Epmc, doi:10.1021/acs.jctc.5b00829.
Rupakheti C, Al-Saadon R, Zhang Y, Virshup AM, Zhang P, Yang W, Beratan DN. Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes. Journal of chemical theory and computation. 2016 Apr;12(4):1942–1952.
Published In
Journal of chemical theory and computation
DOI
EISSN
1549-9626
ISSN
1549-9618
Publication Date
April 2016
Volume
12
Issue
4
Start / End Page
1942 / 1952
Related Subject Headings
- Chemical Physics
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0803 Computer Software
- 0601 Biochemistry and Cell Biology
- 0307 Theoretical and Computational Chemistry