DFT and TD-DFT studies on osmacycle dyes with tunable photoelectronic properties for solar cells

Theoretical Chemistry Accounts ◽

10.1007/s00214-014-1531-4 ◽

2014 ◽

Vol 133 (8) ◽

Author(s):

Mingjun Sun ◽

Zexing Cao

Keyword(s):

Solar Cells ◽

Dft Studies ◽

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DFT and TD-DFT studies of new pentacene-based organic molecules as a donor material for bulk-heterojunction solar cells

Journal of Computational Electronics ◽

10.1007/s10825-020-01493-7 ◽

2020 ◽

Vol 19 (3) ◽

pp. 895-904 ◽

Author(s):

İskender Muz ◽

Mustafa Kurban ◽

Mehmet Dalkilic

Keyword(s):

Solar Cells ◽

Organic Molecules ◽

Bulk Heterojunction ◽

Dft Studies ◽

Heterojunction Solar Cells ◽

Bulk Heterojunction Solar Cells ◽

Donor Material ◽

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DFT and TD-DFT studies on symmetrical squaraine dyes for nanocrystalline solar cells

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/s00706-010-0298-0 ◽

2010 ◽

Vol 141 (5) ◽

pp. 549-555 ◽

Author(s):

Jie Xu ◽

Hui Zhang ◽

Lei Wang ◽

Guijie Liang ◽

Luoxin Wang ◽

...

Keyword(s):

Solar Cells ◽

Dft Studies ◽

Squaraine Dyes ◽

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DFT and TD- DFT studies on osmacycle dyes with tunable photoelectronic properties for solar cells

Highlights in Theoretical Chemistry - Guosen Yan ◽

10.1007/978-3-662-47845-5_21 ◽

2014 ◽

pp. 183-190

Author(s):

Mingjun Sun ◽

Zexing Cao

Keyword(s):

Solar Cells ◽

Dft Studies ◽

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DFT and TD-DFT studies for optoelectronic properties of coumarin based donor-π-acceptor (D-π-A) dyes: Applications in dye-sensitized solar cells (DSSCS)

Heliyon ◽

10.1016/j.heliyon.2021.e08339 ◽

2021 ◽

pp. e08339

Author(s):

Said A.H. Vuai ◽

Mwanahadia Salum Khalfan ◽

Numbury Surendra Babu

Keyword(s):

Solar Cells ◽

Dye Sensitized Solar Cells ◽

Optoelectronic Properties ◽

Dft Studies ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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Synthesis, characterization, DFT and TD-DFT studies of novel carbazole-based copolymer used in high efficient dye-sensitized solar cells

Polymer Testing ◽

10.1016/j.polymertesting.2017.12.023 ◽

2018 ◽

Vol 66 ◽

pp. 78-86 ◽

Author(s):

N. Bouzayen ◽

H. Sadki ◽

M. Mbarek ◽

M. Bouachrine ◽

M.N. Bennani ◽

...

Keyword(s):

Solar Cells ◽

Dye Sensitized Solar Cells ◽

Dft Studies ◽

Dye Sensitized ◽

High Efficient ◽

Td Dft ◽

Sensitized Solar Cells

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Understanding the photo-electrochemistry of metal-free di and tri substituted thiophene-based organic dyes in dye-sensitized solar cells using DFT/TD-DFT studies

Ionics ◽

10.1007/s11581-017-2158-y ◽

2017 ◽

Vol 23 (12) ◽

pp. 3545-3554 ◽

Author(s):

Sudip Mandal ◽

Shamsher Rao ◽

Kothandaraman Ramanujam

Keyword(s):

Solar Cells ◽

Organic Dyes ◽

Dye Sensitized Solar Cells ◽

Dft Studies ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells

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DFT/TD-DFT Studies of Metal-Free N-Annulated Perylene Based Organic Sensitizers for Dye-Sensitized Solar Cells: Is Thiophene Spacer Essential for Improving the DSSC Performance?

ChemistrySelect ◽

10.1002/slct.201600868 ◽

2016 ◽

Vol 1 (18) ◽

pp. 5854-5862 ◽

Author(s):

Sudip Mandal ◽

Kothandaraman Ramanujam

Keyword(s):

Solar Cells ◽

Dye Sensitized Solar Cells ◽

Dft Studies ◽

Dye Sensitized ◽

Td Dft ◽

Sensitized Solar Cells ◽

Organic Sensitizers

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Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies

International Journal of Molecular Sciences ◽

10.3390/ijms17040487 ◽

2016 ◽

Vol 17 (4) ◽

pp. 487 ◽

Author(s):

Reda El-Shishtawy ◽

Shaaban Elroby ◽

Abdullah Asiri ◽

Klaus Müllen

Keyword(s):

Solar Cells ◽

Optical Absorption ◽

Electronic Properties ◽

Absorption Spectra ◽

Optical Absorption Spectra ◽

Dft Studies ◽

Squaraine Dyes ◽

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Novel donor–acceptor non-fullerene metal–organic solar cells based on open edge Sc@BN: a DFT and TD-DFT study

Journal of the Iranian Chemical Society ◽

10.1007/s13738-021-02188-x ◽

2021 ◽

Author(s):

Mahbobeh Naderi Namivandi ◽

Avat Arman Taherpour ◽

Mohammad Ghadermazi ◽

Morteza Jamshidi

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Dft Study ◽

Td Dft ◽

Donor Acceptor ◽

Metal Organic ◽

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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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