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Muhammad Waqas
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Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells
M Waqas, J Iqbal, RF Mehmood, SJ Akram, AM Shawky, M Raheel, ...
Journal of Molecular Graphics and Modelling 116, 108255, 2022
432022
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, GAM Mersal, S Hameed, ...
Journal of Molecular Liquids 368, 120770, 2022
332022
Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics
M Waqas, NMA Hadia, AM Shawky, RF Mahmood, M Essid, Z Aloui, ...
RSC advances 13 (11), 7535-7553, 2023
312023
Designing of symmetrical ADA type non-fullerene acceptors by side-chain engineering of an indacenodithienothiophene (IDTT) core based molecule: A computational approach
M Waqas, NMA Hadia, MM Hessien, SJ Akram, AM Shawky, J Iqbal, ...
Computational and Theoretical Chemistry 1217, 113904, 2022
312022
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, M Essid, Z Aloui, RA Khera, ...
Journal of Molecular Graphics and Modelling 123, 108518, 2023
252023
Graphene-based nanocomposites and nanohybrids for the abatement of agro-industrial pollutants in aqueous environments
A Farhan, EU Rashid, M Waqas, H Ahmad, S Nawaz, J Munawar, ...
Environmental Pollution 308, 119557, 2022
222022
Modified optoelectronic parameters by end-group engineering of ADA type non-fullerene-based small symmetric acceptors constituting IBDT core for high-performance photovoltaics
M Majeed, M Waqas, RF Mehmood, NS Alatawi, M Essid, RA Khera
Journal of Physics and Chemistry of Solids 181, 111495, 2023
212023
End-cap modeling on the thienyl-substituted benzodithiophene trimer-based donor molecule for achieving higher photovoltaic performance
MH Maqsood, RA Khera, RF Mehmood, SJ Akram, N Al-Zaqri, ...
Journal of Molecular Graphics and Modelling 124, 108550, 2023
202023
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, N Al-Zaqri, RA Khera, ...
Journal of Molecular Liquids 386, 122473, 2023
202023
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 applications
H Zubair, RF Mahmood, M Waqas, M Ishtiaq, J Iqbal, MAA Ibrahim, ...
RSC advances 13 (37), 26050-26068, 2023
172023
Approach toward low energy loss in symmetrical nonfullerene acceptor molecules inspired by insertion of different π-spacers for developing efficient organic solar cells
F Rehman, M Waqas, M Imran, MAA Ibrahim, J Iqbal, RA Khera, ...
ACS omega 8 (46), 43792-43812, 2023
162023
High-efficiency and low-energy-loss organic solar cells enabled by tuning the end group modification of the terthiophene-based acceptor molecules to enhance photovoltaic properties
FU Rehman, S Hameed, RA Khera, M Shaban, M Essid, Z Aloui, ...
ACS omega 8 (45), 42492-42510, 2023
152023
A DFT study for improving the photovoltaic performance of organic solar cells by designing symmetric non-fullerene acceptors by quantum chemical modification on pre-existed …
A Zahoor, S Sadiq, RA Khera, M Essid, Z Aloui, NS Alatawi, MAA Ibrahim, ...
Journal of Molecular Graphics and Modelling 125, 108613, 2023
142023
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, RA Khera, ...
ACS omega 8 (48), 45384-45404, 2023
122023
A computational insight into enhancement of photovoltaic properties of non-fullerene acceptors by end-group modulations in the structural framework of INPIC molecule
H Zubair, MS Akhter, M Waqas, M Ishtiaq, IA Bhatti, J Iqbal, AM Skawky, ...
Journal of Molecular Graphics and Modelling 126, 108664, 2024
92024
A DFT approach for finding therapeutic potential of graphyne as a nanocarrier in the doxorubicin drug delivery to treat cancer
M Perveen, L Noreen, M Waqas, RF Mehmood, J Iqbal, S Manzoor, ...
Journal of Molecular Graphics and Modelling 124, 108537, 2023
92023
An Approach Towards Low Energy Loss by End-capped Modification of A2-D-A1-D-A2-type Molecules for Tuning the Photovoltaic Properties of Organic Solar Cells
R Ali, S Nadeem, RA Khera, AA AlObaid, I Warad, MAA Ibrahim, M Waqas
Journal of Computational Biophysics and Chemistry 22 (8), 1013-1040, 2023
92023
Strategies toward end-group engineering of chrysene core-based non-fullerene acceptors for high performance organic solar cells: a DFT study
A Idrees, A Ur-Rehman, M Waqas, M Shaban, SI Al-Saeedi, NS Alatawi, ...
Journal of Computational Biophysics and Chemistry 22 (8), 1041-1066, 2023
82023
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, A Mahal, AM Shawky, ...
Journal of Molecular Graphics and Modelling 127, 108699, 2024
72024
A DFT approach toward designing selenophene-based unfused small molecule acceptors by end-capped modification for improving the photovoltaic performance of organic solar cells
RAK Jaweria Rukhsar, Muhammad Waqas, Muhamed Salim Akhter, Mohamed Shaban ...
The Journal of Physical Organic Chemistry, 2023
6*2023
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