Design principles for efficient singlet fission in anthracene-based organic semiconductors

Youn Jue Bae; Joseph A. Christensen; Gyeongwon Kang; Christos D. Malliakas; Jiawang Zhou; Jordan N. Nelson; Ryan M. Young; Yi Lin Wu; Richard P. Van Duyne; George C. Schatz; Michael R. Wasielewski

doi:10.1117/12.2527346

Design principles for efficient singlet fission in anthracene-based organic semiconductors

Youn Jue Bae, Joseph A. Christensen, Gyeongwon Kang, Christos D. Malliakas, Jiawang Zhou, Jordan N. Nelson, Ryan M. Young, Yi Lin Wu, Richard P. Van Duyne, George C. Schatz, Michael R. Wasielewski

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

1 Scopus citations

Abstract

Singlet fission (SF) in two or more electronically coupled organic chromophores converts a high-energy singlet exciton into two low-energy triplet excitons, which can be used to increase solar cell efficiency. Many known SF chromophores are unsuitable for device applications due to chemical instability and low triplet state energies. This work summarizes structurally dependent SF dynamics for 9,10-bis(phenylethynyl)anthracene (BPEA) and its derivatives in the solid-state using time-resolved optical spectroscopies, and electronic structure calculations. By modulating the packing structure in thin films, we can effectively tune electronic energy and coupling. The systematic study in BPEA organic semiconductors shows that maximizing the thermodynamic driving force can achieve the highest SF rate and efficiency.

Original language	English (US)
Title of host publication	Physical Chemistry of Semiconductor Materials and Interfaces XVIII
Editors	Christian Nielsen, Daniel Congreve, Hugo A. Bronstein, Felix Deschler
Publisher	SPIE
ISBN (Electronic)	9781510628618
DOIs	https://doi.org/10.1117/12.2527346
State	Published - 2019
Event	Physical Chemistry of Semiconductor Materials and Interfaces XVIII 2019 - San Diego, United States Duration: Aug 11 2019 → Aug 13 2019

Publication series

Name	Proceedings of SPIE - The International Society for Optical Engineering
Volume	11084
ISSN (Print)	0277-786X
ISSN (Electronic)	1996-756X

Conference

Conference	Physical Chemistry of Semiconductor Materials and Interfaces XVIII 2019
Country	United States
City	San Diego
Period	8/11/19 → 8/13/19

Keywords

Anthracene
Frankel Excitons
Organic Semiconductors
Singlet Fission

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Computer Science Applications
Applied Mathematics
Electrical and Electronic Engineering

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Bae, Y. J., Christensen, J. A., Kang, G., Malliakas, C. D., Zhou, J., Nelson, J. N., Young, R. M., Wu, Y. L., Van Duyne, R. P., Schatz, G. C., & Wasielewski, M. R. (2019). Design principles for efficient singlet fission in anthracene-based organic semiconductors. In C. Nielsen, D. Congreve, H. A. Bronstein, & F. Deschler (Eds.), Physical Chemistry of Semiconductor Materials and Interfaces XVIII [110840Q] (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 11084). SPIE. https://doi.org/10.1117/12.2527346

Bae, Youn Jue ; Christensen, Joseph A. ; Kang, Gyeongwon ; Malliakas, Christos D. ; Zhou, Jiawang ; Nelson, Jordan N. ; Young, Ryan M. ; Wu, Yi Lin ; Van Duyne, Richard P. ; Schatz, George C. ; Wasielewski, Michael R. / Design principles for efficient singlet fission in anthracene-based organic semiconductors. Physical Chemistry of Semiconductor Materials and Interfaces XVIII. editor / Christian Nielsen ; Daniel Congreve ; Hugo A. Bronstein ; Felix Deschler. SPIE, 2019. (Proceedings of SPIE - The International Society for Optical Engineering).

@inproceedings{81a58141b1db45f596a16572d2dd3287,

title = "Design principles for efficient singlet fission in anthracene-based organic semiconductors",

abstract = "Singlet fission (SF) in two or more electronically coupled organic chromophores converts a high-energy singlet exciton into two low-energy triplet excitons, which can be used to increase solar cell efficiency. Many known SF chromophores are unsuitable for device applications due to chemical instability and low triplet state energies. This work summarizes structurally dependent SF dynamics for 9,10-bis(phenylethynyl)anthracene (BPEA) and its derivatives in the solid-state using time-resolved optical spectroscopies, and electronic structure calculations. By modulating the packing structure in thin films, we can effectively tune electronic energy and coupling. The systematic study in BPEA organic semiconductors shows that maximizing the thermodynamic driving force can achieve the highest SF rate and efficiency.",

keywords = "Anthracene, Frankel Excitons, Organic Semiconductors, Singlet Fission",

author = "Bae, {Youn Jue} and Christensen, {Joseph A.} and Gyeongwon Kang and Malliakas, {Christos D.} and Jiawang Zhou and Nelson, {Jordan N.} and Young, {Ryan M.} and Wu, {Yi Lin} and {Van Duyne}, {Richard P.} and Schatz, {George C.} and Wasielewski, {Michael R.}",

note = "Funding Information: This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award DE-FG02-99ER14999 (M.R.W.). G.K., R.P.V.D., and G.C.S. acknowledge support from the Air Force Office of Scientific Research MURI (FA9550-14-1-0003). GK and GCS (theory work) acknowledge the LEAP Center, DOE grant DE-SC0001059. Y.B. thanks Phi Lamda Upsilon and Northwestern University for travel grant.; Physical Chemistry of Semiconductor Materials and Interfaces XVIII 2019 ; Conference date: 11-08-2019 Through 13-08-2019",

year = "2019",

doi = "10.1117/12.2527346",

language = "English (US)",

series = "Proceedings of SPIE - The International Society for Optical Engineering",

publisher = "SPIE",

editor = "Christian Nielsen and Daniel Congreve and Bronstein, {Hugo A.} and Felix Deschler",

booktitle = "Physical Chemistry of Semiconductor Materials and Interfaces XVIII",

}

Bae, YJ, Christensen, JA, Kang, G, Malliakas, CD, Zhou, J, Nelson, JN, Young, RM, Wu, YL, Van Duyne, RP, Schatz, GC & Wasielewski, MR 2019, Design principles for efficient singlet fission in anthracene-based organic semiconductors. in C Nielsen, D Congreve, HA Bronstein & F Deschler (eds), Physical Chemistry of Semiconductor Materials and Interfaces XVIII., 110840Q, Proceedings of SPIE - The International Society for Optical Engineering, vol. 11084, SPIE, Physical Chemistry of Semiconductor Materials and Interfaces XVIII 2019, San Diego, United States, 8/11/19. https://doi.org/10.1117/12.2527346

Design principles for efficient singlet fission in anthracene-based organic semiconductors. / Bae, Youn Jue; Christensen, Joseph A.; Kang, Gyeongwon; Malliakas, Christos D.; Zhou, Jiawang; Nelson, Jordan N.; Young, Ryan M.; Wu, Yi Lin; Van Duyne, Richard P.; Schatz, George C.; Wasielewski, Michael R.

Physical Chemistry of Semiconductor Materials and Interfaces XVIII. ed. / Christian Nielsen; Daniel Congreve; Hugo A. Bronstein; Felix Deschler. SPIE, 2019. 110840Q (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 11084).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

TY - GEN

T1 - Design principles for efficient singlet fission in anthracene-based organic semiconductors

AU - Bae, Youn Jue

AU - Christensen, Joseph A.

AU - Kang, Gyeongwon

AU - Malliakas, Christos D.

AU - Zhou, Jiawang

AU - Nelson, Jordan N.

AU - Young, Ryan M.

AU - Wu, Yi Lin

AU - Van Duyne, Richard P.

AU - Schatz, George C.

AU - Wasielewski, Michael R.

N1 - Funding Information: This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award DE-FG02-99ER14999 (M.R.W.). G.K., R.P.V.D., and G.C.S. acknowledge support from the Air Force Office of Scientific Research MURI (FA9550-14-1-0003). GK and GCS (theory work) acknowledge the LEAP Center, DOE grant DE-SC0001059. Y.B. thanks Phi Lamda Upsilon and Northwestern University for travel grant.

PY - 2019

Y1 - 2019

N2 - Singlet fission (SF) in two or more electronically coupled organic chromophores converts a high-energy singlet exciton into two low-energy triplet excitons, which can be used to increase solar cell efficiency. Many known SF chromophores are unsuitable for device applications due to chemical instability and low triplet state energies. This work summarizes structurally dependent SF dynamics for 9,10-bis(phenylethynyl)anthracene (BPEA) and its derivatives in the solid-state using time-resolved optical spectroscopies, and electronic structure calculations. By modulating the packing structure in thin films, we can effectively tune electronic energy and coupling. The systematic study in BPEA organic semiconductors shows that maximizing the thermodynamic driving force can achieve the highest SF rate and efficiency.

AB - Singlet fission (SF) in two or more electronically coupled organic chromophores converts a high-energy singlet exciton into two low-energy triplet excitons, which can be used to increase solar cell efficiency. Many known SF chromophores are unsuitable for device applications due to chemical instability and low triplet state energies. This work summarizes structurally dependent SF dynamics for 9,10-bis(phenylethynyl)anthracene (BPEA) and its derivatives in the solid-state using time-resolved optical spectroscopies, and electronic structure calculations. By modulating the packing structure in thin films, we can effectively tune electronic energy and coupling. The systematic study in BPEA organic semiconductors shows that maximizing the thermodynamic driving force can achieve the highest SF rate and efficiency.

KW - Anthracene

KW - Frankel Excitons

KW - Organic Semiconductors

KW - Singlet Fission

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DO - 10.1117/12.2527346

M3 - Conference contribution

AN - SCOPUS:85073802281

T3 - Proceedings of SPIE - The International Society for Optical Engineering

BT - Physical Chemistry of Semiconductor Materials and Interfaces XVIII

A2 - Nielsen, Christian

A2 - Congreve, Daniel

A2 - Bronstein, Hugo A.

A2 - Deschler, Felix

PB - SPIE

T2 - Physical Chemistry of Semiconductor Materials and Interfaces XVIII 2019

Y2 - 11 August 2019 through 13 August 2019

ER -

Bae YJ, Christensen JA, Kang G, Malliakas CD, Zhou J, Nelson JN et al. Design principles for efficient singlet fission in anthracene-based organic semiconductors. In Nielsen C, Congreve D, Bronstein HA, Deschler F, editors, Physical Chemistry of Semiconductor Materials and Interfaces XVIII. SPIE. 2019. 110840Q. (Proceedings of SPIE - The International Society for Optical Engineering). https://doi.org/10.1117/12.2527346