Triphenylamine based dyes for dye sensitized solar cells: A review

A Mahmood - Solar energy, 2016 - Elsevier
In recent years a lot of work has been done in the field of dye-sensitized solar cells (DSSC).
Dye-sensitized solar cell being a low-cost way for light-energy conversion is an emerging …

Generation of chemical space of compounds for prostate cancer treatment: biological activity prediction, clustering, and visualization of chemical space

M Ishfaq, MI Halawa, A Ahmad, A Rasool… - ACS …, 2023 - ACS Publications
Designing molecules for pharmaceutical purposes has been a significant focus for several
decades. The pursuit of novel drugs is an arduous and financially demanding undertaking …

[HTML][HTML] Red shifting of absorption maxima of phenothiazine based dyes by incorporating electron-deficient thiadiazole derivatives as π-spacer

A Mahmood, SUD Khan, UA Rana, MH Tahir - Arabian Journal of …, 2019 - Elsevier
This study was carried out to design phenothiazine based dyes by incorporating electron-
deficient thiadiazole derivatives as π-spacer. Density functional theory and time-dependent …

Theoretical designing of novel heterocyclic azo dyes for dye sensitized solar cells

A Mahmood, SUD Khan, UA Rana - Journal of Computational Electronics, 2014 - Springer
Since, the organic dyes that harness sunlight are generally considered as the heart of the
dye sensitized solar cells (DSSC), the present study was carried out with the aim to design …

Data mining and library generation to search electron-rich and electron-deficient building blocks for the designing of polymers for photoacoustic imaging

M Ishfaq, T Mubashir, SN Abdou, MH Tahir, MI Halawa… - Heliyon, 2023 - cell.com
Photoacoustic imaging is a good method for biological imaging, for this purpose, materials
with strong near infrared (NIR) absorbance are required. In the present study, machine …

Designing of symmetric and asymmetric small molecule acceptors for organic solar cells: A farmwork based on Machine learning, virtual screening and structural …

T Mubashir, MH Tahir, MHH Mahmoud, Z Shafiq… - … of Photochemistry and …, 2023 - Elsevier
Organic solar cells (OSCs) have drawn a lot of interests because of their distinctive qualities,
including flexibility and tunability. In present study, a detailed data-driven framework is …

Heterocyclic azo dyes for dye sensitized solar cells: A quantum chemical study

A Mahmood, MH Tahir, A Irfan, AG Al-Sehemi… - Computational and …, 2015 - Elsevier
This study was carried out to design heterocyclic azo dyes for dye sensitized solar cells.
Quantum chemical calculations were performed to determine the open-circuit photovoltage …

Search of electron-rich and electron-deficient building blocks through data mining and library generation for the designing of polymers for organic solar cells

S Naeem, T Mubashir, MH Tahir, J Najeeb… - … of Photochemistry and …, 2024 - Elsevier
Typical designing of the organic molecules for numerous chemical, biochemical, and
electrochemical applications requires extensive human workforce, conceptual intuition, far …

Chemical similarity-based design of materials for organic solar cells: Visualizing the generated chemical space of polymers

A Mahmood, S Naeem, A Javed, Z Shafiq… - Materials Today …, 2024 - Elsevier
Potential candidates for photovoltaic applications can be found using chemical similarity
analysis. Compounds with similar structural characteristics may perform similarly. Designing …

Designing of efficient acceptors for organic solar cells: molecular modelling at DFT level

A Irfan, A Mahmood - Journal of Cluster Science, 2018 - Springer
Effort is done to design high-performance small molecule electron acceptors for organic
solar cells. Herein, we have designed four acceptor molecules with different donor moiety …