Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells

© 2019, The Minerals, Metals & Materials Society. Abstract: We investigated metal-free dyes based on isoindigo by performing density functional theory and Time-dependent density functional theory calculations to improve the efficiency of dye-sensitized solar cells. The D–π′–A′–π–A organic dyes...

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Main Authors: Sarinya Hadsadee, Vinich Promarak, Taweesak Sudyoadsuk, Tinnagon Keawin, Nawee Kungwan, Siriporn Jungsuttiwong
Format: Journal
Published: 2020
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spelling th-cmuir.6653943832-684072020-04-02T15:30:14Z Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells Sarinya Hadsadee Vinich Promarak Taweesak Sudyoadsuk Tinnagon Keawin Nawee Kungwan Siriporn Jungsuttiwong Engineering Materials Science Physics and Astronomy © 2019, The Minerals, Metals & Materials Society. Abstract: We investigated metal-free dyes based on isoindigo by performing density functional theory and Time-dependent density functional theory calculations to improve the efficiency of dye-sensitized solar cells. The D–π′–A′–π–A organic dyes (TIDP and TIDT) used triphenylamine as donor, thiophene as the π′-linker between the donor and auxiliary acceptor, and a phenyl or thiophene ring as the π-linker between the auxiliary acceptor and acceptor. TIDP and TIDT exhibit good charge-transfer properties. The TIDP-based device provides better device performance with a PCE of 4.11%. Calculated results reveal that the phenyl ring directly linking the auxiliary acceptor and acceptor causes a small tilt angle in the TiO2–adsorped dye, resulting in enhanced electron-injection rates, more efficient packing of adsorbed dye molecules, and slow charge recombination at the TiO2 surface. The performance of the TIDT-based device (η = 2.46%), arises from decreased electron-injection rates and fast charge recombination caused by the large dihedral angle of the adsorbed dye. This research identifies a potential π′-linker group and reveals the influence of the π-linker on photovoltaic performance in organic dyes. Graphic Abstract: The phenyl ring directly linking the auxiliary acceptor and acceptor causes a smaller tilt angle in the TiO2-absorbed dye compared to thiophene ring resulting in enhanced electron-injection rates with increasing short-circuit current density (Jsc) as well as slow charge recombination at the TiO2 surface with increasing open-circuit voltage (Voc).[Figure not available: see fulltext.] 2020-04-02T15:26:16Z 2020-04-02T15:26:16Z 2020-01-01 Journal 1543186X 03615235 2-s2.0-85074861114 10.1007/s11664-019-07777-4 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85074861114&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/68407
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
topic Engineering
Materials Science
Physics and Astronomy
spellingShingle Engineering
Materials Science
Physics and Astronomy
Sarinya Hadsadee
Vinich Promarak
Taweesak Sudyoadsuk
Tinnagon Keawin
Nawee Kungwan
Siriporn Jungsuttiwong
Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells
description © 2019, The Minerals, Metals & Materials Society. Abstract: We investigated metal-free dyes based on isoindigo by performing density functional theory and Time-dependent density functional theory calculations to improve the efficiency of dye-sensitized solar cells. The D–π′–A′–π–A organic dyes (TIDP and TIDT) used triphenylamine as donor, thiophene as the π′-linker between the donor and auxiliary acceptor, and a phenyl or thiophene ring as the π-linker between the auxiliary acceptor and acceptor. TIDP and TIDT exhibit good charge-transfer properties. The TIDP-based device provides better device performance with a PCE of 4.11%. Calculated results reveal that the phenyl ring directly linking the auxiliary acceptor and acceptor causes a small tilt angle in the TiO2–adsorped dye, resulting in enhanced electron-injection rates, more efficient packing of adsorbed dye molecules, and slow charge recombination at the TiO2 surface. The performance of the TIDT-based device (η = 2.46%), arises from decreased electron-injection rates and fast charge recombination caused by the large dihedral angle of the adsorbed dye. This research identifies a potential π′-linker group and reveals the influence of the π-linker on photovoltaic performance in organic dyes. Graphic Abstract: The phenyl ring directly linking the auxiliary acceptor and acceptor causes a smaller tilt angle in the TiO2-absorbed dye compared to thiophene ring resulting in enhanced electron-injection rates with increasing short-circuit current density (Jsc) as well as slow charge recombination at the TiO2 surface with increasing open-circuit voltage (Voc).[Figure not available: see fulltext.]
format Journal
author Sarinya Hadsadee
Vinich Promarak
Taweesak Sudyoadsuk
Tinnagon Keawin
Nawee Kungwan
Siriporn Jungsuttiwong
author_facet Sarinya Hadsadee
Vinich Promarak
Taweesak Sudyoadsuk
Tinnagon Keawin
Nawee Kungwan
Siriporn Jungsuttiwong
author_sort Sarinya Hadsadee
title Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells
title_short Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells
title_full Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells
title_fullStr Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells
title_full_unstemmed Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells
title_sort theoretical study on factors influencing the efficiency of d–π′–a′–π–a isoindigo-based sensitizer for dye-sensitized solar cells
publishDate 2020
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85074861114&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/68407
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