End-capped modification of dithienosilole based small donor molecules for high performance organic solar cells using DFT approach

M Rafiq, M Salim, S Noreen, RA Khera, S Noor… - Journal of molecular …, 2022 - Elsevier
Considering the worth of molecular designing, ADA type four small donor (SM1-SM4)
photoactive materials comprised of DTS core, substituted with push-pull acceptors at …

Design of new bithieno thiophene (BTTI) central core-based small molecules as efficient hole transport materials for perovskite solar cells and donor materials for …

F Abbas, MD Mohammadi, H Louis, IO Amodu… - Materials Science and …, 2023 - Elsevier
This present study focuses on designing five bithienothiophene (BTTI) central core-based
small molecules (MPA-BTTI-A1-MPA-BTTI-A5) in exploring the optoelectronic properties to …

Designing of the indacenodithiophene core-based small molecules for optoelectronic applications: a DFT approach

SJ Akram, J Iqbal, M Ans, YA El-Badry, RF Mehmood… - Solar Energy, 2022 - Elsevier
With the intention of utilizing computational methods to amplify the photovoltaic ability of
organic solar cells, DFT (density functional theory) and TD-DFT (time-dependent density …

Amplifying the photovoltaic properties of azaBODIPY core based small molecules by terminal acceptors modification for high performance organic solar cells: A DFT …

M Salim, M Rafiq, RA Khera, M Arshad, J Iqbal - Solar Energy, 2022 - Elsevier
Molecular engineering of azaBODIPY based molecule was done to construct four novel
small photoactive materials (SM1-SM4) by varying terminal thiophene spaced acceptors for …

End-capped group modification on cyclopentadithiophene based non-fullerene small molecule acceptors for efficient organic solar cells; a DFT approach

MI Khan, J Iqbal, SJ Akram, YA El-Badry… - Journal of Molecular …, 2022 - Elsevier
Four acceptor-donor-acceptor (ADA) type cyclopentadithiophene core-based non-fullerene
small acceptor molecules were designed with the objective to improve the proficiency of …

Modified optoelectronic parameters by end-group engineering of ADA type non-fullerene-based small symmetric acceptors constituting IBDT core for high …

M Majeed, M Waqas, RF Mehmood, NS Alatawi… - Journal of Physics and …, 2023 - Elsevier
End-chain exploration of Non-Fullerene Acceptors is an efficient approach to amplify the
photovoltaic properties of organic solar cells (OSCs). This green energy technology has …

Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics

M Khalid, A Jabbar, S Murtaza, M Arshad… - Scientific Reports, 2024 - nature.com
Non-fullerene organic compounds are promising materials for advanced photovoltaic
devices. The photovoltaic and electronic properties of the derivatives (TTBR and TTB1 …

Tuning the optoelectronic properties of indacenodithiophene based derivatives for efficient photovoltaic applications: a DFT approach

I Zubair, RA Kher, SJ Akram, YA El-Badry… - Chemical Physics …, 2022 - Elsevier
In this study, five novel push-pull acceptor molecules with ABDBA arrangement have been
formulated in the quest to boost the organic solar cells (OSCs), with respect to their …

Designing of symmetrical ADA type non-fullerene acceptors by side-chain engineering of an indacenodithienothiophene (IDTT) core based molecule: A computational …

M Waqas, NMA Hadia, MM Hessien, SJ Akram… - Computational and …, 2022 - Elsevier
Recently, non-fullerene organic solar cells (OSCs) have shown efficiency values exceeding
18%. They have shown tremendous improvements in the last decade and are now about to …

End-cap modeling on the thienyl-substituted benzodithiophene trimer-based donor molecule for achieving higher photovoltaic performance

MH Maqsood, RA Khera, RF Mehmood… - Journal of Molecular …, 2023 - Elsevier
Despite the substantial advancements in organic solar cells (OSCs), the best devices still
have quite low efficiencies due to less focus on donor molecules. With the intention to …