A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells

Tangui Le Bahers; Thierry Pauporté; Giovanni Scalmani; Carlo Adamo; Ilaria Ciofini

doi:10.1039/b914626a

A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells

Physical Chemistry Chemical Physics ◽

10.1039/b914626a ◽

2009 ◽

Vol 11 (47) ◽

pp. 11276 ◽

Cited By ~ 125

Author(s):

Tangui Le Bahers ◽

Thierry Pauporté ◽

Giovanni Scalmani ◽

Carlo Adamo ◽

Ilaria Ciofini

Keyword(s):

Solar Cells ◽

Excited State ◽

Dye Sensitized Solar Cells ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: a detailed DFT study

RSC Advances ◽

10.1039/d1ra04529f ◽

2021 ◽

Vol 11 (44) ◽

pp. 27570-27582

Author(s):

Sabir Ali Siddique ◽

Muhammad Arshad ◽

Sabiha Naveed ◽

Muhammad Yasir Mehboob ◽

Muhammad Adnan ◽

...

Keyword(s):

Solar Cells ◽

Quantum Chemical ◽

Dye Sensitized Solar Cells ◽

Optoelectronic Properties ◽

Dft Study ◽

Zinc Phthalocyanine ◽

Dye Sensitized ◽

Td Dft ◽

Quantum Chemical Approach ◽

Sensitized Solar Cells

We used a quantum chemical approach to investigate the optoelectronic properties of dyes T1–T5 for dye-sensitized solar cells using DFT and TD-DFT computation. The newly designed molecules exhibited outstanding photovoltaic and optoelectronic properties.

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Molecular Engineering of Thienothiophene or Dithienopyrrole-based π-Spacers for Dye-Sensitized Solar Cells (DSSCs) with D-π-A Architecture: A DFT/TD-DFT Study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113275 ◽

2021 ◽

pp. 113275

Author(s):

Kübra Sarikavak ◽

Gülbin Kurtay ◽

Fatma Sevin ◽

Mustafa Güllü

Keyword(s):

Solar Cells ◽

Dye Sensitized Solar Cells ◽

Molecular Engineering ◽

Dft Study ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

Journal of Materials Chemistry ◽

10.1039/c1jm10953g ◽

2011 ◽

Vol 21 (30) ◽

pp. 11101 ◽

Cited By ~ 47

Author(s):

Saurabh Agrawal ◽

Pratibha Dev ◽

Niall J. English ◽

K. Ravindranathan Thampi ◽

J. M. D. MacElroy

Keyword(s):

Solar Cells ◽

Excited State ◽

First Principles ◽

Dye Sensitized Solar Cells ◽

Dye Sensitized ◽

First Principles Study ◽

Sensitized Solar Cells

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DFT/TD-DFT study of novel T shaped phenothiazine-based organic dyes for dye-sensitized solar cells applications

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.01.002 ◽

2019 ◽

Vol 212 ◽

pp. 272-280 ◽

Cited By ~ 8

Author(s):

Zhijie Xu ◽

Yuanyuan Li ◽

Wenjiong Zhang ◽

Shundong Yuan ◽

Lanzhong Hao ◽

...

Keyword(s):

Solar Cells ◽

Organic Dyes ◽

Dye Sensitized Solar Cells ◽

Dft Study ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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Donor substituted triphenylamine based sensitizers for dye sensitized solar cells (DSSC) application - DFT and TD-DFT approach

10.1063/1.5113184 ◽

2019 ◽

Author(s):

P. Pounraj ◽

V. Mohankumar ◽

M. Senthil Pandian ◽

P. Ramasamy

Keyword(s):

Solar Cells ◽

Dye Sensitized Solar Cells ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells

Physical Chemistry Chemical Physics ◽

10.1039/b806097e ◽

2008 ◽

Vol 10 (33) ◽

pp. 5121 ◽

Cited By ~ 108

Author(s):

Mannix P. Balanay ◽

Dong Hee Kim

Keyword(s):

Solar Cells ◽

Molecular Design ◽

Dye Sensitized Solar Cells ◽

Dye Sensitized ◽

Td Dft ◽

Porphyrin Analogues ◽

Sensitized Solar Cells

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DFT/TD-DFT calculations of the electronic and optical properties of bis-N,N-dimethylaniline-based dyes for use in dye-sensitized solar cells

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2018.08.036 ◽

2018 ◽

Vol 367 ◽

pp. 332-346 ◽

Cited By ~ 5

Author(s):

Asmaa B. El-Meligy ◽

Nobuaki Koga ◽

Satoru Iuchi ◽

Kumi Yoshida ◽

Kimihiko Hirao ◽

...

Keyword(s):

Optical Properties ◽

Solar Cells ◽

Dft Calculations ◽

Dye Sensitized Solar Cells ◽

Electronic And Optical Properties ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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DFT and TD-DFT study of novel triphenylamine based organic dyes for dye-sensitized solar cells

2020 5th International Conference on Renewable Energies for Developing Countries (REDEC) ◽

10.1109/redec49234.2020.9163607 ◽

2020 ◽

Author(s):

Ahmed Slimi ◽

Mohamed Hachi ◽

Asmae Fitri ◽

Adil Touimi Benjelloun ◽

Mohammed Benzakour ◽

...

Keyword(s):

Solar Cells ◽

Organic Dyes ◽

Dye Sensitized Solar Cells ◽

Dft Study ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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Pyrrolidine-based dye-sensitized solar cells: A time-dependent density functional theory investigation of the excited state electronic properties

International Journal of Quantum Chemistry ◽

10.1002/qua.23153 ◽

2011 ◽

Vol 112 (9) ◽

pp. 2072-2084 ◽

Cited By ~ 7

Author(s):

Julien Preat ◽

Catherine Michaux ◽

Jean-Marie André ◽

Eric A. Perpète

Keyword(s):

Density Functional Theory ◽

Solar Cells ◽

Excited State ◽

Density Functional ◽

Dye Sensitized Solar Cells ◽

Time Dependent ◽

Functional Theory ◽

Dye Sensitized ◽

Sensitized Solar Cells ◽

Dependent Density

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Transient states and the role of excited state self-quenching of indoline dyes in complete dye-sensitized solar cells

Dyes and Pigments ◽

10.1016/j.dyepig.2014.10.008 ◽

2015 ◽

Vol 113 ◽

pp. 692-701 ◽

Cited By ~ 22

Author(s):

Jan Sobuś ◽

Jerzy Karolczak ◽

Dariusz Komar ◽

Juan A. Anta ◽

Marcin Ziółek

Keyword(s):

Solar Cells ◽

Excited State ◽

Dye Sensitized Solar Cells ◽

Transient States ◽

Dye Sensitized ◽

Sensitized Solar Cells

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