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 …

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 …

Size-Dependent Fullerenes for Enhanced Interaction of l-Leucine: A Combined DFT and MD Simulations Approach

SK Jana, NN Som, PK Jha - Langmuir, 2024 - ACS Publications
Fullerene-based biosensors have received great attention due to their unique electronic
properties that allow them to transduce electrical signals by accepting electrons from amino …

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 …

Designing Thieno[3,4-c]pyrrole-4,6-dione Core-Based, A2–D–A1–D–A2-Type Acceptor Molecules for Promising Photovoltaic Parameters in Organic Photovoltaic …

T Noor, M Waqas, M Shaban, S Hameed… - ACS …, 2024 - ACS Publications
Nonfullerene-based organic solar cells can be utilized as favorable photovoltaic and
optoelectronic devices due to their enhanced life span and efficiency. In this research, seven …

Structural modification of ACA configured X–PCIC acceptor molecule for efficient photovoltaic properties with low energy loss in organic solar cells

M Ishtiaq, M Shaban, M Waqas, SJ Akram… - Journal of Molecular …, 2024 - Elsevier
Modification of terminal acceptors of non-fullerene organic solar cell molecule with different
terminal acceptors can help in screening of molecules to develop organic photovoltaic cells …

Rational designing of phenothiazine dioxide based hole transporting materials for efficient perovskite solar cells

M Hanan, A Mahal, J Iqbal, RA Khera, W Akram… - Solar Energy, 2024 - Elsevier
In this study, we design five novel non-fullerene end capped acceptor based efficient hole
transporting materials (HTMs) from phenothiazine dioxide-based core. MPW1PW91 …

Exploration of the synergistic effect of chrysene-based core and benzothiophene acceptors on photovoltaic properties of organic solar cells

I Shafiq, S Kousar, F Rasool, T Ahamad… - Scientific Reports, 2024 - nature.com
To improve the efficacy of organic solar cells (OSCs), novel small acceptor molecules (CTD1–
CTD7) were designed by modification at the terminal acceptors of reference compound …