Papers citing In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells
Benzo‐bisimidazole based nanosheets having porphyrin like internal core with high second order nonlinear optical response: A theoretical perspective
International Journal of Quantum Chemistry · 2024
Rajneesh Kumar, Ajeet Singh
Read original paper ↗ ·Enhancing the performance of thienyl imidazole-based non-fused heterocyclic materials by end-capped acceptor modifications for organic and perovskite solar cells
Chemical Papers · 2024
Zunaira Zafar, Ume Salma, Arslan Basharat, Ismail Hossain, Muneerah Amer Alomar, Javed Iqbal M
Read original paper ↗ ·Predicting high performance optoelectronic attributes containing iso-indacenodithiophene-based photovoltaic materials for future solar cell technology
Computational and Theoretical Chemistry · 2024
Afsa Farooq, Muhammad Usman Khan, Abida Anwar, Basharat Ali, Abrar U. Hassan, Norah Saad Alhokbany
Read original paper ↗ ·Synthesis of a new hydrazone-based schiff base: Spectroscopy, single crystal, DNA binding and theoretical studies
Journal of Molecular Structure · 2024
Khurram Shahzad Munawar, Sajid Ali, Iqra Shafiq, Muhammad Haroon Ashfaq, Muhammad Nawaz Tahir, Saadia Haq, Norah Saad Alhokbany, Sarfraz Ahmed
Read original paper ↗ ·Machine Learning Study on the Virtual Screening of Donor–Acceptor Pairs for Organic Solar Cells
physica status solidi (a) · 2024
Ming Li, Cai‐Rong Zhang, Meiling Zhang, Ji-Jun Gong, Xiao‐Meng Liu, Yuhong Chen, Zi‐Jiang Liu, Youzhi Wu, Hongshan Chen
Read original paper ↗ ·Machine learning assisted prediction of band gaps and designing of new polymers for photodetectors: A complete pipeline
Computational Materials Science · 2024
Fatimah Mohammed A. Alzahrani, Muhammad Sagir, Muhammad Saqib, Shahida Bashir, Tayyaba Sarwar, Shabbir Hussain, Shahzad Murtaza, Afifa Mushtaq, Rafia Razzaq, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi
Read original paper ↗ ·Theoretical insights into metal-free oligothiophene-centered dye with A–D–A framework via end group modification for DSSCs
Optical and Quantum Electronics · 2024
Ghulam Fareed, Riaz Hussain, Muhammad Durair Sajjad Haider, Noureen Kanwal, Ajaz Hussain, Muhammad Imran, Khurshid Ayub, Mohammed A. Assiri
Read original paper ↗ ·Near‐Infrared Absorbing Aza‐BODIPY Dyes for Optoelectronic Applications
Chemistry - An Asian Journal · 2024
Dilip Pinjari, Yuvraj Patil, Rajneesh Misra
Read original paper ↗ ·Theoretical designing of 9,9'-dicarbazole-based dye via end-group modification for indoor DSSC applications
Physica Scripta · 2024
Shahid Abbas, Riaz Hussain, Muhammad Durair Sajjad Haider, Komal Jawad, Noureen Kanwal, Ajaz Hussain, Riaz Hussain, Khurshid Ayub, Mohammed Ali Assiri
Read original paper ↗ ·Application of nitrogen-doped graphene quantum dots composite with quinoline as a solar cells material
Physica B Condensed Matter · 2024
Rahadian Zainul, Ali Basem, Aiham O. Altayeh, Nitin Kumar, Rohit Sharma, Mohammed Al‐Bahrani, Sondos Abdullah Alqarni, Saiful Islam, Anupam Yadav
Read original paper ↗ ·Tailoring of the thieno [3,2-b] thiophene-based molecule towards promising hole transporting materials for perovskite solar cells
Solar Energy · 2024
Raheela Sharafat, Ume Salma, Rabia Shakeel, Tai Peng, Ashraf M. M. Abdelbacki, Javed Iqbal M
Read original paper ↗ ·Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics
Scientific Reports · 2024
Muhammad Khalid, Aiman Jabbar, Shahzad Murtaza, Muhammad Arshad, Ataualpa Albert Carmo Braga, Tansir Ahamad
Read original paper ↗ ·Enhancing the photovoltaic properties of phenothiazine-based chromophores via structural integration of selenophene analogues
Computational and Theoretical Chemistry · 2024
Iqra Shafiq, Saadia Haq, Mashal Khan, Norah Saad Alhokbany, Rabia Baby, Sarfraz Ahmed
Read original paper ↗ ·Influence of terminal moiety on PCE of DSSCs: An In Silico study based on triazatruxene-benzothiadiazole dye
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2024
Muhammad Zeeshan Mustafa, Riaz Hussain, Muhammad Durair Sajjad Haider, Ammara Fatima, Noureen Kanwal, Ajaz S Hussain, Affiefa Yawer, Mirza Arfan Yawer, Khurshid Ayub
Read original paper ↗ ·Dual-mode visual imaging of latent fingerprints based on organic fluorescent probe with enhanced TICT emission
Sensors and Actuators B Chemical · 2024
Zheng-Hong Pu, Jiao He, Xiang Liu, Jian Wang, Qinghong Bai, Cheng-Hui Wang, Xin Hua Xiao
Read original paper ↗ ·Tuning optical and electronic properties of indanthrene derivatives with electron-withdrawing groups (–Cl, –NO2 and –C≡N) for enhanced organic solar cell performance: a DFT approach
Physica Scripta · 2024
Pankaj Kumar Kushwaha, Dinesh Kumar Shatapathy, Vinay Kumar Sharma, Sunil K. Srivastava
Read original paper ↗ ·Enhanced Mobility of Electrons Via the Peripheral and Spacer Moieties into Perylene Diimide-Based Compounds Lead to Promising Photovoltaic Properties: Perovskite Solar Cells
SSRN Electronic Journal · 2025
Mashal Khan, Muhammad Nadeem Arshad, Shahzad Murtaza, Ataualpa Albert Carmo Braga, Tansir Ahamad, Muhammad Khalid
Read original paper ↗ ·SFX-based hole transport materials for advancement in perovskite and organic solar cells: DFT computational insights and photovoltaic improvements
Materials Science and Engineering B · 2025
Waqas Latif, Muhammad Hanan, A. Jaffar, Areesha Shafique, Sana Aziz, Ateeq-ur-Rehman, Kashif Kamran, Javed Iqbal, Maryam Hina, Muhammad Shabir Mahr
Read original paper ↗ ·Enhancing Power Conversion Efficiency Above 17% Through End-group Engineering of thieno[3,2-b]thiophene and 2,4,6-triisopropylphenyl-based Nonfused-ring Electron Acceptors for Organic Photovoltaics: A DFT Insight
Journal of Computational Biophysics and Chemistry · 2025
Afsa Farooq, Muhammad Usman Khan, Munazza Idrees, Ashraf M. M. Abdelbacki, Mahmoud A. A. Ibrahim
Read original paper ↗ ·Exploration of promising key electronic and nonlinear optical properties of bifluorenylidene based chromophores: a TD-DFT/DFT approach
Scientific Reports · 2025
Iqra Shafiq, Iram Irshad, Romaisa Zahid, Khalid Mahmood, Sarfraz Ahmed, Saifullah Bullo, Norah Saad Alhokbany
Read original paper ↗ ·Deciphering the Role of Rhodanine Flanked Non-Fullerene Acceptor Molecules for Efficient Organic Photovoltaics
International Journal of Molecular Sciences · 2025
Zobia Irshad, Muzammil Hussain, Riaz Hussain, Muhammad Adnan
Read original paper ↗ ·Designing of bithiophene based compatible non-fullerene acceptors with enhanced photovoltaic properties
Materials Science in Semiconductor Processing · 2025
Fatiqa Zafar, Asifa Rani, Rimsha Irshad, Fareeha Bashir, Waseeq-ul-Islam Zafar, Riaz Hussain, Javed Iqbal M, Muhammad Adnan
Read original paper ↗ ·Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations
Scientific Reports · 2025
Muhammad Khalid, Fatima Tayyab, Muhammad Adeel, Nayab Tahir, Ataualpa Albert Carmo Braga, Khalid Abdullah Alrashidi
Read original paper ↗ ·Enhancing Optical and Optoelectronic Characteristics of Nonfused Ring-Containing Electron Acceptors for Efficient Organic Photovoltaics
The Journal of Physical Chemistry C · 2025
Hira Naz, Muzammil Hussain, Muhammad Adnan, Riaz Hussain, Zobia Irshad, Hany W. Darwish, Umar Farooq, Junaid Yaqoob, Jongchul Lim
Read original paper ↗ ·Can B─N Isosteres Utilize for the Designing of New Organic Hole Transport Materials? A Theoretical Prospective
ChemistrySelect · 2025
Priya Singh, Pramod Kumar, Ajeet Singh
Read original paper ↗ ·Computational assessment of the photovoltaic potential in efficient donor–acceptor non-fullerene molecules
Materials Advances · 2025
Roman Azeem, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Machine learning-assisted prediction of organic solar cell efficiency from device reflectance spectra
Results in Optics · 2025
Fuhao Gao, Jinxin Zhou, Jingfeng Liu, Yubin Lan, Yongbing Long, Haitao Xu
Read original paper ↗ ·Acceptor-driven synergy in dihydropyridine-based compounds reveals giant static and frequency-dependent hyperpolarizabilities: a quantum exploration
RSC Advances · 2026
Khansa Gull, Memoona Arshad, Sadia Jamal, Rifat Jawaria, Saif Ullah, Muhammad Imran
Read original paper ↗ ·Shaping the Future of Photovoltaics: Advances in Non-Fullerene Acceptors and Tandem Organic Solar Cells
Brazilian Journal of Physics · 2026
Hafiz Muhammad Rizwan, Nimra Sultan, Shama Rafiq, Zeeshan Zubair, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·DFT insights into the photovoltaic performance of A–π–A non-fullerene acceptors for organic solar cells
Scientific Reports · 2026
Mashal Khan, Fatima Sarwar, Khansa Gull, Memoona Arshad, Iqra Shafiq, Muhammad Nadeem Arshad, Khalid Ahmed Alzahrani, Rifat Jawaria
Read original paper ↗ ·UGA-SSMRPT2 - A Multireference Perturbation Theory Predicting Accurate Electronic Excitation Energies in Diverse Molecular Systems
Journal of Chemical Theory and Computation · 2026
Shamik Chanda, Pratyush Bhattacharjya, Avijit Sen, Sangita Sen
Read original paper ↗ ·Dual-functional BODIPY–coumarin photosensitizers for DSSCs and photocatalytic H2 evolution: A DFT/TD-DFT study of halogenation and anchoring-group engineering
Computational and Theoretical Chemistry · 2026
Muhammad Arvito Ramadhan, Okta Suryani, Lala Adetia Marlina, Aulia Sukma Hutama, Suci Zulaikha Hildayani, Trisna Kumala Sari, Riga Riga, Hanif Sabawi Ma'ruf
Read original paper ↗ ·Scalable Wide‐Bandgap Polymer Donors Enable 20.3% Efficiency and Ultra‐Stable Organic Solar Cells via Rational Halogenation Strategy
Advanced Energy Materials · 2026
JS Gao, Haotian Hu, Xiyun Li, Congqi Lin, Xiaochun Liao, Fangfeng Li, Jiahan Xie, Mengmeng Yang, Ruixiang Peng, Ziyi Ge
Read original paper ↗ ·Rational design of triphenylamine–benzothiophene-based donor materials for enhanced photovoltaic performance in solar cells: a DFT study
Journal of Saudi Chemical Society · 2026
Muhammad Usman Khan, Afsa Farooq, Muhammad Ramzan Saeed Ashraf Janjua, Junaid Yaqoob, Abida Anwar, Asma Irshad, Muhammad Asim Mushtaq, Soleiman Hisaindee, Amir Sohail, Norah Saad Alhokbany
Read original paper ↗ ·