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 …

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 …

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 …

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 …

Investigating the impact of end-capped acceptor alterations to dimethyl fluorene-based hole transporting material for perovskite solar cells

R Sharafat, A Basharat, U Salma, J Iqbal… - Journal of Physics and …, 2024 - Elsevier
Hole-transporting materials (HTMs) could boost the proficiency of third generation-
perovskite solar cells since they have ultrafast charge mobility that improves optoelectronic …

End-capped engineering of Quinoxaline core-based non-fullerene acceptor materials with improved power conversion efficiency

S Ali, MS Akhter, M Waqas, H Zubair, HN Bhatti… - Journal of Molecular …, 2024 - Elsevier
Improving the light-harvesting efficiency and boosting open circuit voltage are crucial
challenges for enhancing the efficiency of organic solar cells. This work introduces seven …

A computational insight into enhancement of photovoltaic properties of non-fullerene acceptors by end-group modulations in the structural framework of INPIC …

H Zubair, MS Akhter, M Waqas, M Ishtiaq… - Journal of Molecular …, 2024 - Elsevier
Improving the open circuit voltage is a major challenge for enhancing the overall efficiency
of organic solar cells. Current work has concentrated on improving open-circuit voltage by …

Engineering of the Central Core on DBD-Based Materials with Improved Power-Conversion Efficiency by Using the DFT Approach

A Zulfiqar, MS Akhter, M Waqas, IA Bhatti, M Imran… - ACS …, 2024 - ACS Publications
Developing proficient organic solar cells with improved optoelectronic properties is still a
matter of concern. In the current study, with an aspiration to boost the optoelectronic …