Papers citing Theoretical Understanding and Role of Guest π-Bridges in Triphenylamine-Based Donor Materials for High-Performance Solar Cells
Benzodithiophene-based Acceptor-Donor-Acceptor-type compounds for highly efficient organic photovoltaic cells
Chemical Physics Letters · 2023
Rchid Kacimi, Emine Tanış, Ahmed Azaid, Youness Khaddam, Marzouk Raftani, Sehrish Sarfaraz, L. Bejjit, Mohammed Bouachrıne
Read original paper ↗ ·Predicting benzodithiophene based donor materials with enhanced 19.09% PCE, open-circuit voltage and optoelectronic attributes for solar cell applications: Photochemical insights from DFT
Journal of Photochemistry and Photobiology A Chemistry · 2023
Muhammad Usman Khan, Faiza Shafiq, Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Khalid, Junaid Yaqoob, Muhammad Arshad, Saad M. Alshehri, Rais Ahmad Khan
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 ↗ ·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 ↗ ·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 ↗ ·Chemical similarity-based design of materials for organic solar cells: Visualizing the generated chemical space of polymers
Materials Today Communications · 2024
Asif Mahmood, Sumaira Naeem, Afra Javed, Zunaira Shafiq, Mohamed A. El‐Sheikh, Hosam O. Elansary, Muhammad Ramzan Saeed Ashraf Janjua
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 ↗ ·Machine learning-assisted chemical space generation of small molecule organic semiconductors for efficient photodetectors
Computational Materials Science · 2024
Khadijah Mohammedsaleh Katubi, Alvi Muhammad Rouf, Bilal Siddique, Muhammad Faizan Nazar, Ghulam Jillani Ansari, Ziyad Awadh Alrowaili, Mohammed Sultan Al-Buriahi
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 ↗ ·BODIPY-Based Macrostructures: A Design Strategy toward Enhancing the Efficiency of Dye-Sensitized Solar Cells
The Journal of Physical Chemistry A · 2024
Tahere Kheshti, Fazel Shojaei, Afshan Mohajeri
Read original paper ↗ ·Substituting effect with end-capped groups on the photoelectric properties of non-fullerene acceptors for all-polymer solar cell
Solar Energy · 2024
Cong Shen, Zifu Zang, Peng Song, Fengcai Ma, Yuanzuo Li
Read original paper ↗ ·Solvent-Mediated Rate Deceleration of Diels–Alder Reactions for Enhanced Selectivity: Quantum Mechanical Insights
Chemistry · 2024
Umatur Rehman, Asim Mansha, Felix Plasser
Read original paper ↗ ·Fine structural tuning of diphenylaniline-based dyes for designing semiconductors relevant to dye-sensitized solar cells
Scientific Reports · 2024
Akbar Omidvar, Fatemeh Fazeli, Tahereh Ghaed-Sharaf, Reza Keshavarzi
Read original paper ↗ ·Machine learning assisted designing of polymers with lower reorganization energies for the possible use as donor and acceptors for organic solar cells
Solar Energy · 2024
Ejaz Hussain, Mohamed Mohamed Soliman, Salah M. El‐Bahy, Sumaira Naeem, Numan Khan
Read original paper ↗ ·External electric field control of charge transport in Y-shaped and linear non-fullerene acceptors
Journal of Materials Chemistry A · 2025
Lulu Fu, Jingjing Hu, Rong Li, Hua Geng, Qiang Zhu, Zhi Fan, Bowen Cheng
Read original paper ↗ ·Selenium-Substituted Nonfused Ring Acceptors: Theoretical Insights into Optoelectronic Properties via Noncovalent Interaction Engineering
The Journal of Physical Chemistry A · 2025
Zhao Liu, Lei Wang, Shubin Lei, Zhifei Sun, Huanhuan Gao, Haiyang Song
Read original paper ↗ ·Acridine as a π-bridge in d-π-D architectures: Integrated experimental and computational mapping of donor-dependent frontier orbital landscapes
Journal of Molecular Structure · 2026
Tuğba Atay, Ahmad Badreddin Musatat, Nagihan Öztürk, Mehmet Nebioğlu, İlkay Şişman, Barış Seçkin Arslan
Read original paper ↗ ·