Design strategies of metal free-organic sensitizers for dye sensitized solar cells: Role of donor and acceptor monomers

Chieh Yu Tseng; Fadlilatul Taufany; Santhanamoorthi Nachimuthu; Jyh Chiang Jiang; Der Jang Liaw

doi:10.1016/j.orgel.2014.03.022

Design strategies of metal free-organic sensitizers for dye sensitized solar cells: Role of donor and acceptor monomers

Chieh Yu Tseng, Fadlilatul Taufany, Santhanamoorthi Nachimuthu^*, Jyh Chiang Jiang, Der Jang Liaw

^*Corresponding author for this work

National Taiwan University of Science and Technology

Research output: Contribution to journal › Article › peer-review

43 Citations (Scopus)

Abstract

A series of metal free organic sensitizers have been designed and their optoelectronic properties for DSSC applications have been systematically investigated using density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods. The role of donor/acceptor monomers on the electron donating/withdrawing abilities has been discussed and promising donor-acceptor combinations are screened. Based on this screening, some of novel metal free sensitizers have been designed and their electronic and spectral properties have been investigated using DFT/TDDFT methods. Our results show that the designed molecules are promising candidates to provide good performances as sensitizers in the DSSC applications.

Original language	English
Pages (from-to)	1205-1214
Number of pages	10
Journal	Organic Electronics
Volume	15
Issue number	6
DOIs	https://doi.org/10.1016/j.orgel.2014.03.022
Publication status	Published - Jun 2014
Externally published	Yes

Keywords

Absorption spectra
DFT/TDDFT
Donor-acceptor
Dual band
Organic dyes

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10.1016/j.orgel.2014.03.022

Cite this

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title = "Design strategies of metal free-organic sensitizers for dye sensitized solar cells: Role of donor and acceptor monomers",

abstract = "A series of metal free organic sensitizers have been designed and their optoelectronic properties for DSSC applications have been systematically investigated using density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods. The role of donor/acceptor monomers on the electron donating/withdrawing abilities has been discussed and promising donor-acceptor combinations are screened. Based on this screening, some of novel metal free sensitizers have been designed and their electronic and spectral properties have been investigated using DFT/TDDFT methods. Our results show that the designed molecules are promising candidates to provide good performances as sensitizers in the DSSC applications.",

keywords = "Absorption spectra, DFT/TDDFT, Donor-acceptor, Dual band, Organic dyes",

author = "Tseng, {Chieh Yu} and Fadlilatul Taufany and Santhanamoorthi Nachimuthu and Jiang, {Jyh Chiang} and Liaw, {Der Jang}",

note = "Funding Information: We acknowledge the financial support from the National Science Council of Taiwan (NSC 101-2113-M-011-004-MY3 ). We are also thankful to the National Center of High-Performance Computing (NCHC) for donating computer time and facilities. ",

year = "2014",

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doi = "10.1016/j.orgel.2014.03.022",

language = "English",

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publisher = "Elsevier BV",

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AU - Tseng, Chieh Yu

AU - Taufany, Fadlilatul

AU - Nachimuthu, Santhanamoorthi

AU - Jiang, Jyh Chiang

AU - Liaw, Der Jang

N1 - Funding Information: We acknowledge the financial support from the National Science Council of Taiwan (NSC 101-2113-M-011-004-MY3 ). We are also thankful to the National Center of High-Performance Computing (NCHC) for donating computer time and facilities.

PY - 2014/6

Y1 - 2014/6

N2 - A series of metal free organic sensitizers have been designed and their optoelectronic properties for DSSC applications have been systematically investigated using density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods. The role of donor/acceptor monomers on the electron donating/withdrawing abilities has been discussed and promising donor-acceptor combinations are screened. Based on this screening, some of novel metal free sensitizers have been designed and their electronic and spectral properties have been investigated using DFT/TDDFT methods. Our results show that the designed molecules are promising candidates to provide good performances as sensitizers in the DSSC applications.

AB - A series of metal free organic sensitizers have been designed and their optoelectronic properties for DSSC applications have been systematically investigated using density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods. The role of donor/acceptor monomers on the electron donating/withdrawing abilities has been discussed and promising donor-acceptor combinations are screened. Based on this screening, some of novel metal free sensitizers have been designed and their electronic and spectral properties have been investigated using DFT/TDDFT methods. Our results show that the designed molecules are promising candidates to provide good performances as sensitizers in the DSSC applications.

KW - Absorption spectra

KW - DFT/TDDFT

KW - Donor-acceptor

KW - Dual band

KW - Organic dyes

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Design strategies of metal free-organic sensitizers for dye sensitized solar cells: Role of donor and acceptor monomers

Abstract

Keywords

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