End-group modification of terminal acceptors on benzothiadiazole-based BT2F-IC4F molecule to establish efficient organic solar cells

M Waqas, NMA Hadia, MM Hessien, J Iqbal… - Journal of Molecular …, 2022 - Elsevier
In this study utilizing an end-capped modification approach seven novel molecules were
created to improve the working of OSCs. Fullerene-free organic solar cells (OSCs) have a …

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 …

First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based …

M Khalid, R Ahmed, I Shafiq, M Arshad, MA Asghar… - Scientific Reports, 2022 - nature.com
Now a days, researchers are constantly doing efforts to upgrade the performance of solar
based devices with the aim of increasing the role of photovoltaic materials in modern hi-tech …

Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells

M Waqas, J Iqbal, RF Mehmood, SJ Akram… - Journal of Molecular …, 2022 - Elsevier
Density functional theory, along with its time dependent computational approach were
employed in order to fine tune the photovoltaic attributes along with the efficiency of the MO …

[HTML][HTML] Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation

M Khalid, I Shafiq, M Zhu, MU Khan, Z Shafiq… - Journal of Saudi …, 2021 - Elsevier
Now a days, non-fullerene organic compounds are considered with keen interest for the
greener energy and potential photovoltaic devices. Herein, novel acceptor chromophores …

Tuning of a A–A–D–A–A-type small molecule with benzodithiophene as a central core with efficient photovoltaic properties for organic solar cells

U Azeem, RA Khera, A Naveed, M Imran, MA Assiri… - ACS …, 2021 - ACS Publications
With the aim of upgrading the power conversion efficiency of organic solar cells (OSCs), four
novel non-fullerene, A1–A2–D–A2–A1-type small molecules were designed that are …

Synergistic modification of end groups in Quinoxaline fused core-based acceptor molecule to enhance its photovoltaic characteristics for superior organic solar cells

S Sadiq, M Waqas, A Zahoor, RF Mehmood… - Journal of Molecular …, 2023 - Elsevier
The competence of organic solar cells (OSCs) could be enhanced by improving the light
absorption capabilities as well as the open-circuit voltage (V oc) of utilized molecules. To …

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 …

End-capped modification of Y-Shaped dithienothiophen [3, 2-b]-pyrrolobenzothiadiazole (TPBT) based non-fullerene acceptors for high performance organic solar …

MU Saeed, J Iqbal, RF Mehmood, SJ Akram… - Surfaces and …, 2022 - Elsevier
In this study, we have conducted several computational procedures to perform end group
modifications through thiophene bridges in Y-series acceptor (Y5) and devised five new …

Benzothiadiazole-based materials for organic solar cells

Q Bei, B Zhang, K Wang, S Zhang, G **ng… - Chinese Chemical …, 2024 - Elsevier
The past few years have witnessed power conversion efficiency (PCE) of organic solar cells
(OSCs) skyrocketing to the value of 20% due to the outstanding advantages of organic …