Exploring the electronic, optical, and charge transfer properties of ADA-type IDTV-ThIC-based molecules to enhance photovoltaic performance of organic solar cells

M Majeed, M Waqas, Z Aloui, M Essid, MAA Ibrahim… - ACS …, 2023 - ACS Publications
Improving the charge mobility and optoelectronic properties of indacenodithiophene-based
small molecule acceptors is a key challenge to improving overall efficiency. In this current …

Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic …

M Waqas, NMA Hadia, AM Shawky, RF Mahmood… - RSC …, 2023 - pubs.rsc.org
Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and
flexibility in applications. However, developing efficient and stable non-fused ring-based …

Approach toward low energy loss in symmetrical nonfullerene acceptor molecules inspired by insertion of different π-spacers for developing efficient organic solar …

F Rehman, M Waqas, M Imran, MAA Ibrahim, J Iqbal… - ACS …, 2023 - ACS Publications
In this quantum approach, by adding bridge/π-spacer fragments between the donor and
acceptor parts of a newly constructed DF-PCIC (A–D–A type) molecule, it is the aim to …

Theoretical designing of symmetrical non-fullerene acceptor molecules by end-capped modification for promising photovoltaic properties of organic solar cells

M Ishtiaq, M Waqas, H Zubair, RF Mehmood… - Journal of Molecular …, 2023 - Elsevier
Non-fullerene small molecules must absorb in a broader wavelength range for achieving
high efficiencies. This work presents seven indacenodithiophene core-based acceptor …

Effect of tailoring π-linkers with extended conjugation on the SJ-IC molecule for achieving high V OC and improved charge mobility towards enhanced photovoltaic …

H Zubair, RF Mahmood, M Waqas, M Ishtiaq, J Iqbal… - RSC …, 2023 - pubs.rsc.org
The problem of low efficiency of organic solar cells can be solved by improving the charge
mobility and open circuit voltage of these cells. The current research aims to present the role …

High-efficiency and low-energy-loss organic solar cells enabled by tuning the end group modification of the terthiophene-based acceptor molecules to enhance …

FU Rehman, S Hameed, RA Khera, M Shaban… - ACS …, 2023 - ACS Publications
In the current study, six nonfullerene small acceptor molecules were designed by end-group
modification of terminal acceptors. Density functional theory calculations of all designed …

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 …

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 …

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 …

A DFT study for improving the photovoltaic performance of organic solar cells by designing symmetric non-fullerene acceptors by quantum chemical modification on …

A Zahoor, S Sadiq, RA Khera, M Essid, Z Aloui… - Journal of Molecular …, 2023 - Elsevier
Minimizing the energy loss and improving the open circuit voltage of organic solar cells is
still a primary concern for scientists working in this field. With the aim to enhance the …