Molecular level understanding of the chalcogen atom effect on chalcogen-based polymers through electrostatic potential, non-covalent interactions, excited state …

A Mahmood, A Irfan, JL Wang - Polymer Chemistry, 2022 - pubs.rsc.org
Polymer donor materials have been considered as a game changer, especially in the early
history of polymer solar cells. However, much progress is the result of hard work resulting …

Machine learning-assisted prediction of the biological activity of aromatase inhibitors and data mining to explore similar compounds

M Ishfaq, M Aamir, F Ahmad, AM Mebed… - ACS omega, 2022 - ACS Publications
Designing molecules for drugs has been a hot topic for many decades. However, it is hard
and expensive to find a new molecule. Thus, the cost of the final drug is also increased …

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 …

Exploration of the intriguing photovoltaic behavior for fused indacenodithiophene-based A–D–A conjugated systems: a DFT model study

MN Arshad, I Shafiq, M Khalid, AM Asiri - ACS omega, 2022 - ACS Publications
Many researchers are engaged nowadays in develo** efficient photovoltaic materials to
accomplish the demand of modern technology. Nonfullerene small molecular acceptors (NF …

Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells

M Khalid, MU Khan, S Ahmed, Z Shafiq, MM Alam… - Scientific Reports, 2021 - nature.com
Non-fullerene based organic compounds are considered promising materials for the
fabrication of modern photovoltaic materials. Non-fullerene-based organic solar cells …

[HTML][HTML] Virtual screening and library enumeration of new hydroxycinnamates based antioxidant compounds: a complete framework

JA Bhutto, T Mubashir, MH Tahir, F Ahmad… - Journal of Saudi …, 2023 - Elsevier
Designing of molecules for drugs is important topic from many decades. The search of new
drugs is very hard, and it is expensive process. Computer assisted framework can provide …

Exploring the effect of end-capped modifications of carbazole-based fullerene-free acceptor molecules for high-performance indoor organic solar cell applications

M Haroon, MRSA Janjua - Journal of Computational Electronics, 2022 - Springer
Organic solar cells (OSCs) have received much attention because of their versatile
advantages including solution process ability, flexibility, transparency, and lightweight …

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 …

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 …