Excited-state properties of Y-series small molecule semiconductors
(2021) In Dyes and Pigments 192.- Abstract
The emergence of the Y series small molecule semiconductors, Y6 and its derivatives, have significantly improved the performance of polymer solar cells (PSCs). However, the excited-state properties of these Y-series small molecule semiconductors which are highly important for designing high-performance PSCs, need to be illustrated. In this work, the excited-state properties and electronic structures of the Y-series small molecules (Y5, Y6, Y10, N3, Y6-BO-4F, and Y6-BO-4Cl) have been systematically studied by using steady-state and time-resolved spectroscopies and quantum chemical calculations. It is shown that the influence of alkyl chains at the nitrogen atom of the pyrrole ring is weak for the electron affinities, ionization... (More)
The emergence of the Y series small molecule semiconductors, Y6 and its derivatives, have significantly improved the performance of polymer solar cells (PSCs). However, the excited-state properties of these Y-series small molecule semiconductors which are highly important for designing high-performance PSCs, need to be illustrated. In this work, the excited-state properties and electronic structures of the Y-series small molecules (Y5, Y6, Y10, N3, Y6-BO-4F, and Y6-BO-4Cl) have been systematically studied by using steady-state and time-resolved spectroscopies and quantum chemical calculations. It is shown that the influence of alkyl chains at the nitrogen atom of the pyrrole ring is weak for the electron affinities, ionization potentials, electron and hole reorganization energies and singlet exciton lifetime of Y molecules. Meanwhile, these parameters are found to be varied with the types of electron-deficient termini. Moreover, we find that Y10 and Y5 have the shortest singlet exciton lifetime in solution and the longest singlet exciton lifetime in film (~1100 ps), suggesting the engineering of electron-deficient termini can significantly influence the excited-state lifetime in solution and film. Our work could provide a guideline for designing Y-series acceptor materials for high-performance polymer solar cells.
(Less)
- author
- Wen, Guanzhao ; Hu, Rong ; Su, Xiaojun LU ; Chen, Zhifeng ; Zhang, Chengyun ; Peng, Jun ; Zou, Xianshao LU ; He, Xiaochuan ; Dong, Geng LU and Zhang, Wei LU
- organization
- publishing date
- 2021-08
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Excited state, Non-fullerene acceptors, Polymer solar cells, Y-series molecules
- in
- Dyes and Pigments
- volume
- 192
- article number
- 109431
- publisher
- Elsevier
- external identifiers
-
- scopus:85106310383
- ISSN
- 0143-7208
- DOI
- 10.1016/j.dyepig.2021.109431
- language
- English
- LU publication?
- yes
- id
- b3d72dda-ade1-4cd0-a1fe-9960c37ec1cf
- date added to LUP
- 2021-12-20 11:41:19
- date last changed
- 2023-11-09 02:04:24
@article{b3d72dda-ade1-4cd0-a1fe-9960c37ec1cf,
abstract = {{<p>The emergence of the Y series small molecule semiconductors, Y6 and its derivatives, have significantly improved the performance of polymer solar cells (PSCs). However, the excited-state properties of these Y-series small molecule semiconductors which are highly important for designing high-performance PSCs, need to be illustrated. In this work, the excited-state properties and electronic structures of the Y-series small molecules (Y5, Y6, Y10, N3, Y6-BO-4F, and Y6-BO-4Cl) have been systematically studied by using steady-state and time-resolved spectroscopies and quantum chemical calculations. It is shown that the influence of alkyl chains at the nitrogen atom of the pyrrole ring is weak for the electron affinities, ionization potentials, electron and hole reorganization energies and singlet exciton lifetime of Y molecules. Meanwhile, these parameters are found to be varied with the types of electron-deficient termini. Moreover, we find that Y10 and Y5 have the shortest singlet exciton lifetime in solution and the longest singlet exciton lifetime in film (~1100 ps), suggesting the engineering of electron-deficient termini can significantly influence the excited-state lifetime in solution and film. Our work could provide a guideline for designing Y-series acceptor materials for high-performance polymer solar cells.</p>}},
author = {{Wen, Guanzhao and Hu, Rong and Su, Xiaojun and Chen, Zhifeng and Zhang, Chengyun and Peng, Jun and Zou, Xianshao and He, Xiaochuan and Dong, Geng and Zhang, Wei}},
issn = {{0143-7208}},
keywords = {{Excited state; Non-fullerene acceptors; Polymer solar cells; Y-series molecules}},
language = {{eng}},
publisher = {{Elsevier}},
series = {{Dyes and Pigments}},
title = {{Excited-state properties of Y-series small molecule semiconductors}},
url = {{http://dx.doi.org/10.1016/j.dyepig.2021.109431}},
doi = {{10.1016/j.dyepig.2021.109431}},
volume = {{192}},
year = {{2021}},
}