Papers citing In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells
Nile red based dye D–π–A as a promising material for solar cell applications
Chemical Papers · 2022
Mohanad Qader Kareem, Ghufran Sh. Jassim, Rasha Fadhel Obaid, Mohanad Hatem Shadhar, Mustafa Mohammed Kadhim, Haider Abdulkareem Almashhadani, A. Sarkar
Read original paper ↗ ·Improved photodetection capabilities of Ag@CeO2 Nanorod composite array using GLAD technique
Ceramics International · 2022
Ngasepam Monica Devi, Amal BaQais, A.K. Debnath, Mir Waqas Alam, Naorem Khelchand Singh
Read original paper ↗ ·Recent Advances in Cartesian-Grid DFT in Atoms and Molecules
Frontiers in Chemistry · 2022
Sangita Majumdar, Amlan K. Roy
Read original paper ↗ ·Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
Journal of Molecular Modeling · 2022
Muhammad Shahzeb Khan, Hameed Ul Haq, Saira Abbasi, Shan E. Zehra Syeda, Muhammad Nadeem Arshad
Read original paper ↗ ·Evaluating Zn‐Porphyrin‐Based Near‐IR‐Sensitive Non‐Fullerene Acceptors for Efficient Panchromatic Organic Solar Cells
ChemistryOpen · 2022
Muhammad Usman Khan, Muhammad Imran, Muhammad Fayyaz ur Rehman, Mohammed Ali Assiri, Syed Muddassir Ali Mashhadi, Muhammad Safwan Akram, Changrui Lu
Read original paper ↗ ·High electron mobility due to extra π-conjugation in the end-capped units of non-fullerene acceptor molecules: a DFT/TD-DFT-based prediction
Journal of Molecular Modeling · 2022
Malik Muhammad Asif Iqbal, Muhammad Yasir Mehboob, Talha Hassan, Muhammad Shahzeb Khan, Muhammad Nadeem Arshad
Read original paper ↗ ·Machine Learning Assisted Prediction of Power Conversion Efficiency of All-Small Molecule Organic Solar Cells: A Data Visualization and Statistical Analysis
Molecules · 2022
Norah Muhammad Alwadai, Salah Ud‐Din Khan, Zainab Mufarreh Elqahtani, Shahab Ud‐Din Khan
Read original paper ↗ ·Photovoltaic properties and enhancement in near-infrared light absorption capabilities of acceptor materials for organic solar cell applications: A quantum chemical perspective via DFT
Journal of Physics and Chemistry of Solids · 2022
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Experimental and Quantum Chemical Approaches for Hydrazide-based Crystalline Organic Chromophores: Synthesis, SC-XRD, Spectroscopic and Nonlinear Optical Properties
Journal of Molecular Structure · 2022
Naghmana Kausar, Shahzad Murtaza, Muhammad Khalid, Uzma Shoukat, Mehwish Asad, Muhammad Nadeem Arshad, Abdullah Mohamed Asiri, Ataualpa Albert Carmo Braga
Read original paper ↗ ·Designing easily synthesizable non-fused small acceptors for organic solar cells
Solar Energy · 2022
Saba Zahid, Alvina Rasool, Sabeeha Zahid, Muhammad Ans, Javed Iqbal M, Islam H. El Azab, Gaber A. M. Mersal, Mohamed M. Ibrahim
Read original paper ↗ ·Computational Design of Crescent Shaped Promising Nonfullerene Acceptors with 1,4-Dihydro-2,3-quinoxalinedione Core and Different Electron-withdrawing Terminal Units for Photovoltaic Applications
The Journal of Physical Chemistry A · 2022
Labanya Bhattacharya, Alex Brown, Sagar Sharma, Sridhar Sahu
Read original paper ↗ ·Theoretical design and prediction of novel fluorene-based non-fullerene acceptors for environmentally friendly organic solar cell
Arabian Journal of Chemistry · 2022
Muhammad Usman Khan, Riaz Hussain, Junaid Yaqoob, Muhammad Fayyaz ur Rehman, Muhammad Adnan Asghar, Sibel Demi̇r Kanmazalp, Mohammed A. Assiri, Muhammad Imran, Changrui Lu, Muhammad Safwan Akram
Read original paper ↗ ·Designing of Un-Fused Electron Acceptors with Enhanced Power Conversion Efficiency by Introducing Unique S–O Noncovalent Interaction
Journal of Computational Biophysics and Chemistry · 2022
Muhammad Shahzeb Khan, Hameed Ul Haq, Sana Ullah, Shan E. Zehra Syeda, Muhammad Nadeem Arshad, Bushra Nasrullah
Read original paper ↗ ·Intrinsic influence of selenium substitution in thiophene and benzo-2,1,3-thiadiazole on the electronic structure, excited states and photovoltaic performances evaluated using theoretical calculations
New Journal of Chemistry · 2022
Mingwei Cao, Lei Wang, Huanhuan Gao, Hao Jiang, Haiyang Song
Read original paper ↗ ·Statistical analysis and visualization of data of non-fullerene small molecule acceptors from Harvard organic photovoltaic database. Structural similarity analysis with famous non-fullerene small molecule acceptors to search new building blocks
Journal of Photochemistry and Photobiology A Chemistry · 2022
Tayyaba Mubashir, Mudassir Hussain Tahir, Yasir Altaf, Farooq Ahmad, Muhammad Nadeem Arshad, Ahmad A. Hakamy, Muhammad Sulaman
Read original paper ↗ ·High-performance non-fullerene acceptor-analogues designed from dithienothiophen [3,2-b]-pyrrolobenzothiadiazole (TPBT) donor materials
Journal of Molecular Modeling · 2023
Faheem Abbas, Mohsen Doust Mohammadi, Hitler Louis, Ernest Chiedoziam Agwamba
Read original paper ↗ ·Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: A theoretical perspective
Heliyon · 2023
Muhammad Khalid, Mashal Khan, Iqra Shafiq, Khalid Mahmood, Muhammad Nadeem Akhtar, Javed Iqbal M, Mohammad Khalid Al-Sadoon, Wajid Zaman, Ataualpa Albert Carmo Braga
Read original paper ↗ ·Polaritons in a Polycrystalline Layer of Non-fullerene Acceptor
Journal of the American Chemical Society · 2023
Lixuan Liu, Zhixiang Wei, Stefan C. J. Meskers
Read original paper ↗ ·Energy Level Prediction of Organic Semiconductors for Photodetectors and Mining of a Photovoltaic Database to Search for New Building Units
Molecules · 2023
Jehad Saleh, Sajjad Haider, Muhammad Saeed Akhtar, Muhammad Saqib, Muqadas Javed, Sayed Elshahat, Ghulam Mustafa Kamal
Read original paper ↗ ·Theoretical designing of small molecule donors for organic solar cells: Analyzing the effect of molecular polarity through structural engineering at terminal position
Chemical Physics Letters · 2023
Khadijah Mohammedsaleh Katubi, Muhammad Saqib, Amna Rehman, Shahzad Murtaza, Shabbir Hussain, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi
Read original paper ↗ ·Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: Star-shaped D- π -A conjugated systems
Materials Chemistry and Physics · 2023
Muhammad Khalid, Ume Habiba Ishaque, Muhammad Adnan Asghar, Muhammad Adeel, Mohammed Mujahid Alam, Muhammad Imran, Rabia Baby, Ataualpa Albert Carmo Braga, Muhammad Fayyaz ur Rehman, Muhammad Safwan Akram
Read original paper ↗ ·Photovoltaic characteristics of organic heterocyclic 2,9-dimethyl quinacridone in different solvents using DFT approach
Journal of Photochemistry and Photobiology A Chemistry · 2023
Shradha Lakhera, Meenakshi M. Rana, Kamal Devlal, N. Kanagathara, Jan Janczak
Read original paper ↗ ·Machine learning assisted designing of organic semiconductors for organic solar cells: High-throughput screening and reorganization energy prediction
Inorganic Chemistry Communications · 2023
Khadijah Mohammedsaleh Katubi, Muhammad Saqib, Momina Maryam, Tayyaba Mubashir, Mudassir Hussain Tahir, Muhammad Sulaman, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi
Read original paper ↗ ·Designing and theoretical study of benzocarbazole-based D-π-D type small molecules donor for organic solar cells
Journal of Molecular Graphics and Modelling · 2023
Hanane Etabti, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi
Read original paper ↗ ·Virtual screening of efficient building blocks and designing of new polymers for organic solar cells
Journal of Physics and Chemistry of Solids · 2023
Fatimah Mohammed A. Alzahrani, Muhammad Saqib, Maria Arooj, Tayyaba Mubashir, Mudassir Hussain Tahir, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi
Read original paper ↗ ·In Silico modeling and exploration of new acceptor molecules with enhanced power conversion efficiency for high-performance organic solar cell applications
Journal of Solid State Chemistry · 2023
Muhammad Nadeem Arshad, Shafia Arshad, Hameed Ul Haq, Farooque Ahmed Janjhi, Muhammad Shahzeb Khan, Muhammad Adeel Tariq, Talha Hassan, Muhammad Yasir Mehboob
Read original paper ↗ ·Anthracene-bridged sensitizers for environmentally compatible dye-sensitized solar cells: In silico modelling and prediction
Journal of Molecular Graphics and Modelling · 2023
Fakhar Islam, Ahsan Waqas, Shabir Khan, Amir Ali, Abdul Sattar, Muhammad Adeel Tariq, Muhammad Nadeem Arshad, Muhammad Yasir Mehboob
Read original paper ↗ ·First theoretical engineering of robust C-C single bond-based acceptor materials for efficient organic photovoltaics
Journal of Photochemistry and Photobiology A Chemistry · 2023
Zunaira Shafiq, Syed Ali Raza Naqvi, Muhammad Ramzan Saeed Ashraf Janjua, Saba Jamil
Read original paper ↗ ·Impact of π-linker modifications on the photovoltaic performance of organic solar cells: A theoratical perspective
Computational and Theoretical Chemistry · 2023
Asifa Rani, Fatiqa Zafar, Riaz Hussain, Muhammad Adnan, Javed Iqbal M, Waseeq-ul-Islam Zafar, Mahrzadi Noureen Shahi, Samreen Kousar
Read original paper ↗ ·Designing of novel organic semiconductors materials for organic solar cells: A machine learning assisted proficient pipeline
Inorganic Chemistry Communications · 2023
Beriham Ibrahim Basha, Tayyaba Mubashir, Mudassir Hussain Tahir, Jawayria Najeeb, Sumaira Naeem, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi
Read original paper ↗ ·Electronically tunable cyanoethynylethenes and Tetracyanobuta-1, 3-dienes based Push–pull organic chromophores for enhanced nonlinear optical Activity: A DFT perspective
Computational and Theoretical Chemistry · 2023
Rajneesh Kumar, Santosh Kumar Yadav, Ajeet Singh
Read original paper ↗ ·Performance enhancement of dye-sensitized solar cells based on nitrogen-doped graphene quantum dots
Computational and Theoretical Chemistry · 2023
Anjan Kumar, Sabah Auda AbdulAmeer, Sura Mohammad Mohealdeen, Ahmed Hasoon, Yousra Ali Abdulsayed, Abdelmajeed Adam Lagum, Alaa M. Al-Ma’abreh, Mustafa Mohammed Kadhim
Read original paper ↗ ·Multidimensional modelling and designing of efficient small molecule acceptors for organic solar cells
Materials Science and Engineering B · 2023
Beriham Ibrahim Basha, Muhammad Sulaman, Sayed Elshahat, Hasnain Mehdi Jafri, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Designing of benzofuran‐based monomers for photodetectors through similarity analysis and library enumeration
Journal of Physical Organic Chemistry · 2023
Muhammad Saqib, Tayyaba Mubashir, Mudassir Hussain Tahir, Muqadas Javed, Asima Hameed, Asad Aziz, Shaban R. M. Sayed, Hosam O. Elansary
Read original paper ↗ ·Designing of symmetric and asymmetric small molecule acceptors for organic solar cells: A farmwork based on Machine learning, virtual screening and structural analysis
Journal of Photochemistry and Photobiology A Chemistry · 2023
Tayyaba Mubashir, Mudassir Hussain Tahir, M.H.H. Mahmoud, Zunaira Shafiq, Mohsin Ashraf, Islam H. El Azab, Zeinhom Mohamed El-Bahy, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Electronic and NLO Performances of Benzohydrazide Derivatives: DFT Investigation and (RDG, AIM) Analysis
Journal of Computational Biophysics and Chemistry · 2023
Nadia Benhalima, Bendouma Doumi, Oumria Kourat, Fatima Yahia Cherif, Nour El houda Daho, Abdelkader Chouaıh, Adlane Sayede
Read original paper ↗ ·Rational polymer design for organic solar cells through similarity index-based data mining
Computational and Theoretical Chemistry · 2023
Ruihong Zhang, Tayyaba Mubashir, Muhammad Sulaman, Najam Ul Hassan, Sajjad Haider, Mudassir Hussain Tahir
Read original paper ↗ ·A DFT Study on the Impact of Saturated and Conjugated Side Chains on the Optoelectronic Performance of Y-series Nonfullerene Acceptors
Journal of Computational Biophysics and Chemistry · 2023
Fareeda Kalsoom, Umar Farooq, Muhammad Salman, Riaz Hussain
Read original paper ↗ ·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
Journal of Molecular Graphics and Modelling · 2023
Sabiha Khanam, Sahar Javaid Akram, Rasheed Ahmad Khera, Sadia Tul Zohra, Ahmed M. Shawky, Naifa S. Alatawi, Mahmoud A. A. Ibrahim, Ehsan Ullah Rashid
Read original paper ↗ ·Predicting the multiple parameters of organic acceptors through machine learning using RDkit descriptors: An easy and fast pipeline
International Journal of Quantum Chemistry · 2023
Khadijah Mohammedsaleh Katubi, Muhammad Saqib, Tayyaba Mubashir, Mudassir Hussain Tahir, Mohamed Ibrahim Halawa, Alveena Akbar, Beriham Ibrahim Basha, Muhammad Sulaman, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi
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 ↗ ·An efficient framework to design near-IR monomers for polymer solar cells with the help of machine learning, virtual screening and chemical space visualization
Journal of Photochemistry and Photobiology A Chemistry · 2023
Tayyaba Mubashir, Mudassir Hussain Tahir, Zunaira Shafiq, Ahmed Zakaria Dewidar, Hosam O. Elansary, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Data mining and library generation to search electron-rich and electron-deficient building blocks for the designing of polymers for photoacoustic imaging
Heliyon · 2023
Muhammad Ishfaq, Tayyaba Mubashir, Safaa N. Abdou, Mudassir Hussain Tahir, Mohamed Ibrahim Halawa, Mohamed M. Ibrahim, Yulin Xie
Read original paper ↗ ·Search of electron-rich and electron-deficient building blocks through data mining and library generation for the designing of polymers for organic solar cells
Journal of Photochemistry and Photobiology A Chemistry · 2023
Sumaira Naeem, Tayyaba Mubashir, Mudassir Hussain Tahir, Jawayria Najeeb, Ahmed Zakaria Dewidar, Hosam O. Elansary, Silas C. Lagat, Anthony M.S. Pembere
Read original paper ↗ ·Exploring Acceptor Modification in Helicene‐Phenylamine‐Based Small Molecules for Organic and Perovskite Solar Cells
Energy Technology · 2023
Rida Fatima, Javed Iqbal M, Shamsa Bibi, Muhammad Shahzad Yaseen
Read original paper ↗ ·Engineering highly efficient porphyrin sensitizers through metal, ligand and bridge modification: a DFT study
Physical Chemistry Chemical Physics · 2024
Hemjot Kaur, Neetu Goel
Read original paper ↗ ·Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study
RSC Advances · 2024
Muhammad Khalid, Noor Fatima, Muhammad Nadeem Arshad, Muhammad Adeel, Ataualpa Albert Carmo Braga, Tansir Ahamad
Read original paper ↗ ·Screening and designing of a large chemical space of organic semiconductors for photodetectors
Materials Today Communications · 2024
Muhammad Saqib, Muhammad Sagir, Munawar Lal Joshi, Shahida Bashir, Mohamed Ibrahim Halawa, Saman Ali, Hosam O. Elansary, Ghulam Mustafa Kamal
Read original paper ↗ ·Crystal Growth, Physicochemical Investigation, and Raman Spectroscopy: Exploration of Intramolecular Charge Transfer in NLO Chromophore DAST
Crystal Growth & Design · 2024
Thirumuruganantham Sivakumar, Arivazhagan Logeswari, M. William Carry, M. R. Kannan, T. Vijayakumar, Jeyaperumal Kalyana Sundar
Read original paper ↗ ·