Molecular engineering of cyclopentadithiophene-containing organic dyes for dye-sensitized solar cell

Experimental results vs theoretical calculation

Chun Guey Wu, Wei Tsung Shieh, Chin Sheng Yang, Chun Jui Tan, Chiao Hsin Chang, Su Chien Chen, Chia Yin Wu, Hui Hsu Gavin Tsai

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Four donor-conjugated spacer-acceptor (D-π-A) organic dyes containing cyclopentadithiophene unit as a part of the conjugated spacer are prepared and studied to investigate the effects of the conjugated spacer and donor on the short-circuit current and conversion efficiency of the corresponding DSSCs. Theoretical calculations reveal that a shorter conjugated spacer or a stronger donor leads to more effective electron injection upon photo excitation. Therefore, D-π-A typed dye with longer conjugated spacer may have higher absorption coefficient and longer λ max . Nevertheless, it may also have lower effective electron injection upon photo excitation. Calculation data also show that cyclopentadithiophene although is a good moiety for extending the conjugation length of the organic dyes, it also acts as an electron sink, decreasing the effective electron injection. The transition probability calculated with the electron density difference analyses combining with the experimental absorption and photovoltaic performance data provides a useful protocol for designing organic photosensitizers for DSSCs at the electronic and structural levels.

Original languageEnglish
Pages (from-to)1091-1100
Number of pages10
JournalDyes and Pigments
Volume99
Issue number3
DOIs
Publication statusPublished - Sep 19 2013
Externally publishedYes

Fingerprint

Electron injection
Coloring Agents
Dyes
Photoexcitation
Photosensitizing Agents
Photosensitizers
Short circuit currents
Conversion efficiency
Carrier concentration
Electrons
Dye-sensitized solar cells

Keywords

  • Conjugated spacer
  • Cyclopentadithiophene
  • Donor
  • DSSC
  • Electron injection
  • Organic sensitizer

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Process Chemistry and Technology

Cite this

Molecular engineering of cyclopentadithiophene-containing organic dyes for dye-sensitized solar cell : Experimental results vs theoretical calculation. / Wu, Chun Guey; Shieh, Wei Tsung; Yang, Chin Sheng; Tan, Chun Jui; Chang, Chiao Hsin; Chen, Su Chien; Wu, Chia Yin; Tsai, Hui Hsu Gavin.

In: Dyes and Pigments, Vol. 99, No. 3, 19.09.2013, p. 1091-1100.

Research output: Contribution to journalArticle

Wu, Chun Guey ; Shieh, Wei Tsung ; Yang, Chin Sheng ; Tan, Chun Jui ; Chang, Chiao Hsin ; Chen, Su Chien ; Wu, Chia Yin ; Tsai, Hui Hsu Gavin. / Molecular engineering of cyclopentadithiophene-containing organic dyes for dye-sensitized solar cell : Experimental results vs theoretical calculation. In: Dyes and Pigments. 2013 ; Vol. 99, No. 3. pp. 1091-1100.
@article{2f0bf7304bf24d24846829f233368a05,
title = "Molecular engineering of cyclopentadithiophene-containing organic dyes for dye-sensitized solar cell: Experimental results vs theoretical calculation",
abstract = "Four donor-conjugated spacer-acceptor (D-π-A) organic dyes containing cyclopentadithiophene unit as a part of the conjugated spacer are prepared and studied to investigate the effects of the conjugated spacer and donor on the short-circuit current and conversion efficiency of the corresponding DSSCs. Theoretical calculations reveal that a shorter conjugated spacer or a stronger donor leads to more effective electron injection upon photo excitation. Therefore, D-π-A typed dye with longer conjugated spacer may have higher absorption coefficient and longer λ max . Nevertheless, it may also have lower effective electron injection upon photo excitation. Calculation data also show that cyclopentadithiophene although is a good moiety for extending the conjugation length of the organic dyes, it also acts as an electron sink, decreasing the effective electron injection. The transition probability calculated with the electron density difference analyses combining with the experimental absorption and photovoltaic performance data provides a useful protocol for designing organic photosensitizers for DSSCs at the electronic and structural levels.",
keywords = "Conjugated spacer, Cyclopentadithiophene, Donor, DSSC, Electron injection, Organic sensitizer",
author = "Wu, {Chun Guey} and Shieh, {Wei Tsung} and Yang, {Chin Sheng} and Tan, {Chun Jui} and Chang, {Chiao Hsin} and Chen, {Su Chien} and Wu, {Chia Yin} and Tsai, {Hui Hsu Gavin}",
year = "2013",
month = "9",
day = "19",
doi = "10.1016/j.dyepig.2013.08.016",
language = "English",
volume = "99",
pages = "1091--1100",
journal = "Dyes and Pigments",
issn = "0143-7208",
publisher = "Elsevier BV",
number = "3",

}

TY - JOUR

T1 - Molecular engineering of cyclopentadithiophene-containing organic dyes for dye-sensitized solar cell

T2 - Experimental results vs theoretical calculation

AU - Wu, Chun Guey

AU - Shieh, Wei Tsung

AU - Yang, Chin Sheng

AU - Tan, Chun Jui

AU - Chang, Chiao Hsin

AU - Chen, Su Chien

AU - Wu, Chia Yin

AU - Tsai, Hui Hsu Gavin

PY - 2013/9/19

Y1 - 2013/9/19

N2 - Four donor-conjugated spacer-acceptor (D-π-A) organic dyes containing cyclopentadithiophene unit as a part of the conjugated spacer are prepared and studied to investigate the effects of the conjugated spacer and donor on the short-circuit current and conversion efficiency of the corresponding DSSCs. Theoretical calculations reveal that a shorter conjugated spacer or a stronger donor leads to more effective electron injection upon photo excitation. Therefore, D-π-A typed dye with longer conjugated spacer may have higher absorption coefficient and longer λ max . Nevertheless, it may also have lower effective electron injection upon photo excitation. Calculation data also show that cyclopentadithiophene although is a good moiety for extending the conjugation length of the organic dyes, it also acts as an electron sink, decreasing the effective electron injection. The transition probability calculated with the electron density difference analyses combining with the experimental absorption and photovoltaic performance data provides a useful protocol for designing organic photosensitizers for DSSCs at the electronic and structural levels.

AB - Four donor-conjugated spacer-acceptor (D-π-A) organic dyes containing cyclopentadithiophene unit as a part of the conjugated spacer are prepared and studied to investigate the effects of the conjugated spacer and donor on the short-circuit current and conversion efficiency of the corresponding DSSCs. Theoretical calculations reveal that a shorter conjugated spacer or a stronger donor leads to more effective electron injection upon photo excitation. Therefore, D-π-A typed dye with longer conjugated spacer may have higher absorption coefficient and longer λ max . Nevertheless, it may also have lower effective electron injection upon photo excitation. Calculation data also show that cyclopentadithiophene although is a good moiety for extending the conjugation length of the organic dyes, it also acts as an electron sink, decreasing the effective electron injection. The transition probability calculated with the electron density difference analyses combining with the experimental absorption and photovoltaic performance data provides a useful protocol for designing organic photosensitizers for DSSCs at the electronic and structural levels.

KW - Conjugated spacer

KW - Cyclopentadithiophene

KW - Donor

KW - DSSC

KW - Electron injection

KW - Organic sensitizer

UR - http://www.scopus.com/inward/record.url?scp=84883878982&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84883878982&partnerID=8YFLogxK

U2 - 10.1016/j.dyepig.2013.08.016

DO - 10.1016/j.dyepig.2013.08.016

M3 - Article

VL - 99

SP - 1091

EP - 1100

JO - Dyes and Pigments

JF - Dyes and Pigments

SN - 0143-7208

IS - 3

ER -