Papers citing Quantum chemical design of near‐infrared sensitive fused ring electron acceptors containing selenophene as π‐bridge for high‐performance organic solar cells
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
Journal of Molecular Graphics and Modelling · 2023
Ahmad Raza, Rana Farhat Mehmood, Ehsan Ullah Rashid, Samia Nasr, Ibrahim Sayed Yahia, Javed Iqbal M, Naifa S. Alatawi, Rasheed Ahmad Khera
Read original paper ↗ ·Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior
Journal of Photochemistry and Photobiology A Chemistry · 2023
Muhammad Khalid, Iqra Shafiq, Suvash Chandra Ojha, Ataualpa Albert Carmo Braga, Tansir Ahamad, Muhammad Arshad
Read original paper ↗ ·Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: Efficient organic solar cells
Arabian Journal of Chemistry · 2023
Muhammad Khalid, Ayesha Mustafa, Sarfraz Ahmed, Muhammad Adnan Asghar, Tansir Ahamad, Ataualpa Albert Carmo Braga, Suvash Chandra Ojha
Read original paper ↗ ·Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives
Journal of Photochemistry and Photobiology A Chemistry · 2023
Muhammad Khalid, Ayesha Mustafa, Ataualpa Albert Carmo Braga, Muhammad Adnan Asghar, Nadeem Raza, Mohamed Khairy
Read original paper ↗ ·Molecular Engineering of A-D-A Based Non-Fullerene Acceptors to Tune the Optoelectronic Properties of Perovskite Solar Cells
SSRN Electronic Journal · 2024
Asifa Rani, Fatiqa Zafar, Riaz Hussain, Waseeq-ul-Islam Zafar, Javed Iqbal M, Muhammad Amin Abid, Ayesha Khanum, Muhammad Adnan
Read original paper ↗ ·The promising role of doped h-BANDs for solar cells application: A DFT study
Journal of Photochemistry and Photobiology A Chemistry · 2024
Mohamed Jamal Saadh, Fredy Rodrigo Barahona Avecilla, Mohammed Ahmed Mustafa, Anjan Kumar, Irwanjot Kaur, Y.M. Alawayde, Sanaa Fathy Mahmud, Ruaa Sattar, Yasser Elmasry
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 ↗ ·Engineering of the Central Core on DBD-Based Materials with Improved Power-Conversion Efficiency by Using the DFT Approach
ACS Omega · 2024
Aamna Zulfiqar, Mohammad Salim Akhter, Muhammad Waqas, Ijaz Ahmad Bhatti, Muhammad Imran, Ahmed M. Shawky, Mohamed Shaban, Hadil Faris Alotaibi, Ahmed Mahal, Adel Ashour, Meitao Duan, Ali S. Alshomrany, Rasheed Ahmad Khera
Read original paper ↗ ·Machine learning assisted designing of non-fullerene electron acceptors: A quest for lower exciton binding energy
Heliyon · 2024
Jameel Ahmed Bhutto, Bilal Siddique, Ihab Mohamed Moussa, Mohamed A. El‐Sheikh, Zhihua Hu, Guan Yurong
Read original paper ↗ ·Molecular engineering of benzothiadiazole core based non-fullerene acceptors to tune the optoelectronic properties of perovskite solar cells
Computational and Theoretical Chemistry · 2024
Asifa Rani, Fatiqa Zafar, Riaz Hussain, Waseeq-ul-Islam Zafar, Ayesha Khanum, Muhammad Adnan
Read original paper ↗ ·Examination of structural and spectrophotometric optical characteristics of nano-like flower quinolinyl carbonyl pyrazole-1-carbodithioate films: a new trend for optoelectronic applications
Journal of Molecular Structure · 2024
Magdy A. Ibrahim, Al‐Shimaa Badran, Shimaa Abdel Halim, Naglaa Roushdy, Ahmed A. Atta, A.A.M. Farag
Read original paper ↗ ·A Theoretical Investigation for Exploring the Potential Performance of Non-Fullerene Organic Solar Cells Through Side-Chain Engineering Having Diphenylamino Groups to Enhance Photovoltaic Properties
Journal of Fluorescence · 2024
Fakhar Muhammad Abbas, Rabaa Bousbih, Ali Raza Ayub, Saba Zahid, Mohammed Aljohani, Mohammed A. Amin, Muhammad Waqas, Mohamed S. Soliman, Rasheed Ahmad Khera, Nazish Jahan
Read original paper ↗ ·Styrene monomer as potential material for design of new optoelectronic and nonlinear optical polymers: density functional theory study
Royal Society Open Science · 2024
Patrick Noudem, David Fouejio, C. D. D. Mveme, Serge Sylvain Zekeng
Read original paper ↗ ·Exploration of the synergistic effect of chrysene-based core and benzothiophene acceptors on photovoltaic properties of organic solar cells
Scientific Reports · 2024
Iqra Shafiq, Shehla Kousar, Faiz Rasool, Tansir Ahamad, Khurram Shahzad Munawar, Saifullah Bullo, Suvash Chandra Ojha
Read original paper ↗ ·Design of organic electronic materials with lower exciton binding energy: machine learning analysis and high-throughput screening
Optical and Quantum Electronics · 2024
Mudassir Hussain Tahir, Nimra Sultan, Zunaira Shafiq, Ihab Mohamed Moussa, Shankarappa Sridhara, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Polymer design with enhanced crystallization tendency aided by machine learning
Physica B Condensed Matter · 2024
Ejaz Hussain, Mudassir Hussain Tahir, A. Alshammari Dalal, Sumaira Naeem, Islam H. El Azab
Read original paper ↗ ·Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework
Scientific Reports · 2024
Mashal Khan, Muhammad Khalid, Shahzad Murtaza, Ataualpa Albert Carmo Braga, Khalid Abdullah Alrashidi, Sarfraz Ahmed
Read original paper ↗ ·Machine learning assisted prediction of absorption maxima in cyclohexene: A comparison using molecular descriptors and fingerprints
Chemical Physics · 2024
Mudassir Hussain Tahir, Sumaira Naeem, Ashraf Y. Elnaggar, M.H.H. Mahmoud
Read original paper ↗ ·Exploring the impact of end-capped benzothiazine-based acceptors to lead the photovoltaic properties of solar cells: A DFT/TD-DFT approach
Materials Science in Semiconductor Processing · 2024
Mashal Khan, Misbah Azhar, Muhammad Khalid, Muhammad Arshad, Sadia Jamal, Rajeh Alotaibi
Read original paper ↗ ·Structural Modeling of Fluorinated Quinoxaline Core–Based Chromophores for Efficient Photovoltaic Materials: A DFT Study
Journal of Physical Organic Chemistry · 2024
Iqra Shafiq, Sana Nasrullah, Maria Zafar, Iram Irshad, Syed Muddassir Ali Mashhadi, Saifullah Bullo, Muhammad Arshad, Rajeh Alotaibi
Read original paper ↗ ·Design of polymers with higher atomization energy with help of machine learning and chemical space generation
Materials Today Communications · 2024
Nadeem Muhammad, Mudassir Hussain Tahir, Mohamed Mohamed Soliman, Sumaira Naeem, Anthony M.S. Pembere, Mohamed Hamdy Helal
Read original paper ↗ ·Influence of benzothiophene based acceptors modulation on photovoltaic properties of Trimethyl-2-selena-5-aza-pentalene-4,6-dione based chromophores through quantum chemical investigations
Journal of Industrial and Engineering Chemistry · 2025
Iqra Shafiq, Gang Wu, Sadia Jamal, Saifullah Bullo, Muhammad Nadeem Akhtar, Norah Saad Alhokbany, Ke Chen
Read original paper ↗ ·Examining the Relationship between Synthetic Accessibility and Efficiency in Organic Solar Cells: A Statistical Analysis
ACS Applied Energy Materials · 2025
Sohail Aftab, Farooq Ahmad, Sumaira Naeem, Shaban R. M. Sayed, Mahmoud A. A. Ibrahim
Read original paper ↗ ·Tuning peripheral acceptors in pyran core functional materials to boost photovoltaic efficiency
Scientific Reports · 2025
Mashal Khan, Maria Zafar, Zafar Ullah, Iqra Shafiq, Saifullah Bullo, Tansir Ahamad, Ke Chen
Read original paper ↗ ·Molecular engineering with benzothiophene based bracing units to improve the photovoltaic properties of the naphthalene core based chromophores
Scientific Reports · 2025
Muhammad Adnan Asghar, Iqra Shafiq, Sadia Jamal, Khalid Abdullah Alrashidi, Ke Chen
Read original paper ↗ ·Innovative pathways to efficiency in organic solar cells: a DFT perspective on small donors
Journal of Computational Electronics · 2025
Muhammad Sajid, Wajeeha Fatima, Khuram Ali, Hafiza Saima Batool, Esha Fatima, Suriani Abu Bakar
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 ↗ ·Enhanced Mobility of Electrons via the Peripheral and Spacer Moieties Into Perylene Diimide‐Based Compounds Lead to Promising Photovoltaic Properties: A DFT/TD‐DFT Insight
Journal of Physical Organic Chemistry · 2025
Mashal Khan, Muhammad Khalid, Muhammad Imran, Shahzad Murtaza, Ataualpa Albert Carmo Braga
Read original paper ↗ ·DFT investigations of electro-optical and charge transport properties of two photochromic isomers 3,6-bis-((E)-2-(benzo[b]thiophen-5(6)-yl)vinyl)phenanthrene (BTVP) for OLED and NLO applications
Discover Applied Sciences · 2026
David Fouejio, Patrick Noudem, I.J.Fouelefack Tefouet, Pierre Ferdinand Bissi Nyandou, S. S. Zekeng
Read original paper ↗ ·