End-capped group modification on cyclopentadithiophene based non-fullerene small molecule acceptors for efficient organic solar cells; a DFT approach MI Khan, J Iqbal, SJ Akram, YA El-Badry, M Yaseen, RA Khera Journal of Molecular Graphics and Modelling 113, 108162, 2022 | 59 | 2022 |
Tuning the optoelectronic properties of indacenodithiophene based derivatives for efficient photovoltaic applications: a DFT approach I Zubair, RA Kher, SJ Akram, YA El-Badry, MU Saeed, J Iqbal Chemical Physics Letters 793, 139459, 2022 | 56 | 2022 |
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 | 54 | 2022 |
Designing of the indacenodithiophene core-based small molecules for optoelectronic applications: a DFT approach SJ Akram, J Iqbal, M Ans, YA El-Badry, RF Mehmood, RA Khera Solar Energy 237, 108-121, 2022 | 51 | 2022 |
End-capped modification of Y-Shaped dithienothiophen [3, 2-b]-pyrrolobenzothiadiazole (TPBT) based non-fullerene acceptors for high performance organic solar cells by using DFT … MU Saeed, J Iqbal, RF Mehmood, SJ Akram, YA El-Badry, S Noor, ... Surfaces and Interfaces 30, 101875, 2022 | 50 | 2022 |
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 | 36 | 2022 |
Impact of side-chain engineering on the A-π-D-π-A type SM-BF1 donor molecule for bulk heterojunction and their photovoltaic performance: A DFT approach SJ Akram, J Iqbal, RF Mehmood, S Iqbal, YA El-Badry, MI Khan, M Ans, ... Solar Energy 240, 38-56, 2022 | 34 | 2022 |
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 | 32 | 2023 |
Depicting the role of end-capped acceptors to amplify the photovoltaic properties of benzothiadiazole core-based molecules for high-performance organic solar cell applications EU Rashid, J Iqbal, RF Mehmood, YA El-Badry, SJ Akram, RA Khera Computational and Theoretical Chemistry 1211, 113669, 2022 | 28 | 2022 |
Impact of various heterocyclic π-linkers and their substitution position on the opto-electronic attributes of the A–π–D–π–A type IECIO-4F molecule: a comparative analysis SJ Akram, NMA Hadia, J Iqbal, RF Mehmood, S Iqbal, AM Shawky, A Asif, ... RSC advances 12 (32), 20792-20806, 2022 | 28 | 2022 |
Structural modification on Dimethoxythienothiophene based non-fullerene acceptor molecule for construction of high-performance organic chromophores by employing DFT approach MU Saeed, J Iqbal, RF Mehmood, M Riaz, SJ Akram, HH Somaily, ... Journal of Physics and Chemistry of Solids 170, 110906, 2022 | 26 | 2022 |
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 | 25 | 2023 |
Efficient side-chain engineering of thieno-imidazole salt-based molecule to boost the optoelectronic attributes of organic solar cells: A DFT approach A Asif, N Maqsood, SJ Akram, M Nouman, A Elmushyakhi, AM Shawky, ... Journal of Molecular Graphics and Modelling 121, 108428, 2023 | 24 | 2023 |
DFT molecular modeling of A2-D-A1-D-A2 type DF-PCIC based small molecules acceptors for organic photovoltaic cells S Sabir, NMA Hadia, J Iqbal, RF Mehmood, SJ Akram, MI Khan, ... Chemical Physics Letters 806, 140026, 2022 | 21 | 2022 |
Engineering of A-π-D-π-A system based non-fullerene acceptors to enhance the photovoltaic properties of organic solar cells; a DFT approach M Rani, J Iqbal, RF Mehmood, SJ Akram, K Ghaffar, ZM El-Bahy, ... Chemical Physics Letters 801, 139750, 2022 | 18 | 2022 |
Engineering of A2-D-A1-D-A2 type BT-dIDT based non-fullerene acceptors for effective organic solar cells A Tajammal, M Ans, RF Mehmood, J Iqbal, SJ Akram, A Murtaza, ... Computational and Theoretical Chemistry 1211, 113666, 2022 | 18 | 2022 |
Designing dibenzosilole core based, A 2–π–A 1–π–D–π–A 1–π–A 2 type donor molecules for promising photovoltaic parameters in organic photovoltaic cells S Rani, N Al-Zaqri, J Iqbal, SJ Akram, A Boshaala, RF Mehmood, ... RSC advances 12 (45), 29300-29318, 2022 | 18 | 2022 |
Engineering of W-shaped benzodithiophenedione-based small molecular acceptors with improved optoelectronic properties for high efficiency organic solar cells EU Rashid, NMA Hadia, J Iqbal, RF Mehmood, HH Somaily, SJ Akram, ... RSC advances 12 (34), 21801-21820, 2022 | 16 | 2022 |
Impact of end capped modification on BT-CIC molecule for high-performance photovoltaic attributes: a DFT approach A Naveed, SJ Akram, M Ans, J Iqbal, I Batool, RF Mehmood, RA Khera Journal of Molecular Modeling 28 (8), 218, 2022 | 15 | 2022 |
Novel A-π-D-π-A-type non-fullerene acceptors for solution-processed organic photovoltaic cells: a DFT study MI Khan, NMA Hadia, J Iqbal, SJ Akram, MM Hessien, AM Shawky, ... Journal of Solid State Chemistry 317, 123714, 2023 | 12 | 2023 |