Quantum modeling of dimethoxyl-indaceno dithiophene based acceptors for the development of semiconducting acceptors with outstanding photovoltaic potential

Ehsan Ullah Rashid, N. M. A. Hadia, Ahmed M. Shawky, Nashra Ijaz, Manel Essid, Javed Iqbal, Naifa S. Alatawi, Muhammad Ans and Rasheed Ahmad Khera

RSC Adv., 2023, 13, 4641
DOI: 10.1039/D2RA07957G

Alteration of the central core of a DF-PCIC chromophore to boost the photovoltaic applications of non-fullerene acceptor based organic solar cells

Amna Zahoor, N. M. A. Hadia, Sahar Javaid Akram, Rana Farhat Mehmood, Sonia Sadiq, Ahmed M. Shawky, Naifa S. Alatawi, Asma Ahmed, Javed Iqbal and Rasheed Ahmad Khera

RSC Adv., 2023, 13, 6530
DOI: 10.1039/D2RA08091E

Quantum chemical modification of indaceno dithiophene-based small acceptor molecules with enhanced photovoltaic aspects for highly efficient organic solar cells

Ehsan Ullah Rashid, N. M. A. Hadia, Omaymah Alaysuy, Javed Iqbal, M. M. Hessien, Gaber A. M. Mersal, Rana Farhat Mehmood, Ahmed M. Shawky, Muhammad Imran Khan and Rasheed Ahmad Khera

RSC Adv., 2022, 12, 28608
DOI: 10.1039/D2RA05239C

Amplifying the photovoltaic properties of phenylene dithiophene core based non-fused ring by engineering the terminal acceptors modification to enhance the efficiency of organic solar cells

Ahmad Raza, Rana Farhat Mehmood, Ehsan Ullah Rashid, Samia nasr, I.S. Yahia, Javed Iqbal, Naifa S. Alatawi and Rasheed Ahmad Khera

Journal of Molecular Graphics and Modelling, 2023, 124, 108563
DOI: 10.1016/j.jmgm.2023.108563

Theoretical design and evaluation of efficient small donor molecules for organic solar cells

Adeel Mubarik, Faiza Shafiq, Hao-Ran Wang, Jun Jiang and Xue-Hai Ju

J Mol Model, 2023, 29
DOI: 10.1007/s00894-023-05782-3

Investigating the impact of end-capped acceptor alterations to dimethyl fluorene-based hole transporting material for perovskite solar cells

Raheela Sharafat, Arslan Basharat, Ume Salma, Javed Iqbal, Rasheed Ahmad Khera, Ibrahim A. Shaaban, Mohammed A. Assiri and Lamia Abu El Maati

Journal of Physics and Chemistry of Solids, 2024, 186, 111798
DOI: 10.1016/j.jpcs.2023.111798

End-group modification in a fluorene-terminated efficient hole transport materials for organic and perovskite solar cells

Muniba Anwar, Raheela Sharafat, Muhammad Ans and Javed Iqbal

Opt Quant Electron, 2024, 56
DOI: 10.1007/s11082-024-07196-8

Efficient side-chain engineering of thieno-imidazole salt-based molecule to boost the optoelectronic attributes of organic solar cells: A DFT approach

Areeba Asif, Nimra Maqsood, Sahar Javaid Akram, Muhammad Nouman, Abraham Elmushyakhi, Ahmed M. Shawky and Javed Iqbal

Journal of Molecular Graphics and Modelling, 2023, 121, 108428
DOI: 10.1016/j.jmgm.2023.108428

Impact of End-capped Acceptor Modification in Anthanthrone-Based D-π-A Type Donor Materials for Organic and as Hole Transporting Materials for Perovskite Solar Cells

Nabeel Shahzad, Shahzad Ali Shahid Chatha, Riaz Hussain, Shahid Hussain, Javed Iqbal and Muhammad Adnan

J Fluoresc, 2025
DOI: 10.1007/s10895-025-04309-8

Tailoring of the thieno [3,2-b] thiophene-based molecule towards promising hole transporting materials for perovskite solar cells

Raheela Sharafat, Ume Salma, Rabia Shakeel, Tai Peng, Ashraf M.M. Abdelbacki and Javed Iqbal

Solar Energy, 2024, 282, 112912
DOI: 10.1016/j.solener.2024.112912

Optoelectronic analysis of designed semi-circular shaped thiophene-based bridged Y-series NFAs for organic solar cell applications

Ali Raza Ayub, Waqas Akram, Umer Yaqoob, Salba, Nimra Maqsood, Sidra Rafiq, Karim Youssef Nabat, Arslan Anwer, H.H. Somaily, Abdulkarim Alansari and Javed Iqbal

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2025, 324, 125022
DOI: 10.1016/j.saa.2024.125022

Exploration of charge transfer analysis and photovoltaics properties of A-D-A type non-fullerene phenazine based molecules to enhance the organic solar cell properties

Sabiha Khanam, Sahar Javaid Akram, Rasheed Ahmad Khera, Sadia Tul Zohra, Ahmed M. Shawky, Naifa S. Alatawi, Mahmoud A.A. Ibrahim and Ehsan Ullah Rashid

Journal of Molecular Graphics and Modelling, 2023, 125, 108580
DOI: 10.1016/j.jmgm.2023.108580

Enhancement of Blue Doping-Free and Hyperfluorescent Organic Light Emitting Diode Performance through Triplet–Triplet Annihilation in the Derivatives of Anthracene and Carbazole

Oleksandr Bezvikonnyi, Audrius Bucinskas, Pavel Arsenyan, Alla Petrenko, Zheng-Yu Wei, Jiun-Haw Lee, Dmytro Volyniuk, Ehsan Ullah Rashid, Tien-Lung Chiu and Juozas Vidas Grazulevicius

ACS Appl. Electron. Mater., 2024, 6, 4489
DOI: 10.1021/acsaelm.4c00533

Tuning the optoelectronic properties of selenophene-diketopyrrolopyrrole-based non-fullerene acceptor to obtain efficient organic solar cells through end-capped modification

Rimsha Ijaz, Muhammad Waqas, Ahmed Mahal, Manel Essid, Imen Zghab, Rasheed Ahmad Khera, Hadil Faris Alotaibi, Maysoon Al-Haideri, Ali S. Alshomrany, Saba Zahid, Naifa S. Alatawi and Zouhaier Aloui

Journal of Molecular Graphics and Modelling, 2024, 129, 108745
DOI: 10.1016/j.jmgm.2024.108745

Synergistic modification of end groups in Quinoxaline fused core-based acceptor molecule to enhance its photovoltaic characteristics for superior organic solar cells

Sonia Sadiq, Muhammad Waqas, Amna Zahoor, Rana Farhat Mehmood, Manel Essid, Zouhaier Aloui, Rasheed Ahmad Khera and Sahar Javaid Akram

Journal of Molecular Graphics and Modelling, 2023, 123, 108518
DOI: 10.1016/j.jmgm.2023.108518

Enhancing Optical and Optoelectronic Characteristics of Nonfused Ring-Containing Electron Acceptors for Efficient Organic Photovoltaics

Hira Naz, Muzammil Hussain, Muhammad Adnan, Riaz Hussain, Zobia Irshad, Hany W. Darwish, Umar Farooq, Junaid Yaqoob and Jongchul Lim

J. Phys. Chem. C, 2025, 129, 12204
DOI: 10.1021/acs.jpcc.5c03016

End-capped engineering of carbazole based dopant free hole transporting material with improved power conversion efficiency

Raheela Sharafat, Rao Aqil Shehzad, Muneerah Alomar, Rabia Shakeel, Tayyba Khalid, Javed Iqbal and Rasheed Ahmad Khera

Optik, 2023, 295, 171537
DOI: 10.1016/j.ijleo.2023.171537

Designing of bithiophene based compatible non-fullerene acceptors with enhanced photovoltaic properties

Fatiqa Zafar, Asifa Rani, Rimsha Irshad, Fareeha Bashir, Waseeq-ul-Islam Zafar, Riaz Hussain, Javed Iqbal and Muhammad Adnan

Materials Science in Semiconductor Processing, 2025, 195, 109604
DOI: 10.1016/j.mssp.2025.109604