Performance evaluation of Eu2NiMnO6-based lead-free perovskite solar cells: a SCAPS-1D study

Md. Abu Bakkar Siddique, Nazmul Shahadath, Md. Tarekuzzaman, Md. Raihan Kabir, Sohail Ahmad, Rashel Mohammad Khokan, Md. Rasheduzzaman, S. M. G. Mostafa, Mohammad Jalal Uddin and Md. Zahid Hasan

RSC Adv., 2025, 15, 35488
DOI: 10.1039/D5RA05366H

An in-depth investigation of lead-free KGeCl3 perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks

Md. Tarekuzzaman, Mohammad Hasin Ishraq, Md. Shahazan Parves, M. A. Rayhan, Sohail Ahmad, Md. Rasheduzzaman, K A Al Mamun, M. Moazzam Hossen and Md. Zahid Hasan

Phys. Chem. Chem. Phys., 2024, 26, 27704
DOI: 10.1039/D4CP02974G

ETL engineering in lead-free new Ca3PBr3 perovskite type structure of anti-perovskite derivative material for stable and effective photovoltaic solar cells

Md. Hafizur Rahman, Hosnaara Full, Md. Azizur Rahman, Sheikh Rashel Al Ahmed, Lamia Ben Farhat, Safa Ezzine and Md. Ferdous Rahman

New J. Chem., 2025, 49, 3044
DOI: 10.1039/D4NJ03622K

Numerical investigation of highly efficient chlorine-doped perovskite solar cells

Md Abdul Kuddus Sheikh, Md. Shazarul Islam and Hasina Huq

Energy Adv., 2026
DOI: 10.1039/D5YA00343A

Tuning the essential physical properties of thermodynamically stable LaAlO3 perovskite: A first principles quantum analysis for the developments in optoelectronic devices

Naqash Hussain Malik, Shafaat Hussain Mirza, Sikander Azam, Muhammad Farooq Nasir, Muhammad Jawad, Abdullah M. Al-Enizi and Amna Parveen

Optics & Laser Technology, 2025, 182, 112194
DOI: 10.1016/j.optlastec.2024.112194

Investigating the optoelectronic properties and photovoltaic performance of Na2AuGaBr6 based double perovskite solar cells via numerical simulation and AI techniques

Bipul Chandra Biswas, Asadul Islam Shimul, Indrojit Paul, S. AlFaify, Mohamed Benghanem, Md. Azizur Rahman, Gideon F. B. Solre and Noureddine Elboughdiri

Sci Rep, 2026, 16
DOI: 10.1038/s41598-026-41519-x

Exploring Optoelectronic Behavior and Solar Cell Efficiency of Double Halide Perovskites M2KIrCl6 (M = Cs, Rb) through DFT and SCAPS-1D

Md. Abu Bakkar Siddique, Md. Shahazan Parves, Md. Tarekuzzaman, Md. Raihan Kabir, Muneera S. M. Al-Saleem, Jehan Y. Al-Humaidi, Md. Rasheduzzaman, M. Moazzam Hossen, Mohammed M. Rahman and Md. Zahid Hasan

Langmuir, 2025, 41, 19797
DOI: 10.1021/acs.langmuir.5c01639

Machine learning–guided SCAPS-1D design of lead-free CH₃NH₃SnI₃ perovskite solar cells with 40.17% simulated PCE

Md. Arifur Rahman and Mohammad Jahangir Alam

J Mater. Sci: Mater Eng., 2026
DOI: 10.1186/s40712-026-00426-9

Improving the efficiency and performance of Rb2SnI6-based perovskite solar cells through comprehensive optimization: a numerical study

Minhaz Ul Alam, Md. Kamrul Islam Shifat, Jibon Krishna Modak, Md. Tarekuzzaman, Md. Ismail Haque, Md. Rasheduzzaman, Md Abdul Qader, Riazul Islam, Yasir Arafat and Md. Zahid Hasan

J Comput Electron, 2025, 24
DOI: 10.1007/s10825-024-02276-0

Enhancing efficiency in double perovskite solar cells through bandgap reduction via organic polymer doping

Ihtisham-ul-Haq, M.I. Khan, Ali Mujtaba, Asad Ullah, Badriah Ali, Muhammad Atif and M.S. Hasan

Results in Chemistry, 2025, 13, 101999
DOI: 10.1016/j.rechem.2024.101999

Advancing Solar Energy with Cs2TlAsI6 Double Halide Perovskite: A Simulation‐Driven Approach for High‐Efficiency Solar Cell

Md. Tarekuzzaman and Khandoker Isfaque Ferdous Utsho

Adv Elect Materials, 2025, 11
DOI: 10.1002/aelm.202500312

Design and optimization of lead-free Cs2CuBiCl6 perovskite solar cells through DFT and SCAPS-1D simulations: A focus on optoelectronic, and photovoltaic properties

Md. Tarekuzzaman, Md. Hasin Ishraq, Mufrat Montasir, Wakil Hasan, Hmoud Al-Dmour, O. Alsalmi, Ahmad Hakamy, Md. Rasheduzzaman and Md. Zahid Hasan

Materials Today Communications, 2025, 48, 113593
DOI: 10.1016/j.mtcomm.2025.113593

Eco-friendly Cs2CuBiBr6 solar cells surpass 30% efficiency via Al–TiO2 interface engineering

Umar Farooq Ali, Qasim Ali, Usama Sohail, Muhammad Faisal and Sabah Haider

Opt Quant Electron, 2026, 58
DOI: 10.1007/s11082-026-08710-w

Achieving over 30% efficiency employing a novel double absorber solar cell configuration integrating Ca3NCl3 and Ca3SbI3 perovskites

Avijit Ghosh, Nowshin Suraiah, Nondon Lal Dey, Md Al Imran, Khorshed Alam, Abul Kashem Mohammad Yahia, Mohammad Shahjalal, Md. Mahfuz Hossain, Noureddine Elboughdiri, Yedluri Anil Kumar, Abeer A. Hassan and H.A. Alrafai

Journal of Physics and Chemistry of Solids, 2025, 199, 112498
DOI: 10.1016/j.jpcs.2024.112498

Insights into the optoelectronic and thermoelectric properties of lead-free Rb2NaIrF6 double perovskite compound: A first-principles study

Mwende Mbilo, Robinson Musembi, John Peter Kachira, Wisley Nyangau Onsate, Fanuel Mugwanga Keheze and Refilwe Edwin Mapasha

Results in Physics, 2025, 75, 108349
DOI: 10.1016/j.rinp.2025.108349

Optimization of Lead‐Free Perovskite Solar Cell Architecture Using Machine Learning and Numerical Simulations

Md. Arifur Rahman and Mohammad Jahangir Alam

Advcd Theory and Sims, 2026, 9
DOI: 10.1002/adts.202501590

SCAPS-1D simulation of perovskite solar cells with hydroxyapatite scaffold for lead encapsulation and performance optimization

Nicholas W. Hoy, Luyanda L. Noto and Pontsho S. Mbule

Next Materials, 2025, 9, 101260
DOI: 10.1016/j.nxmate.2025.101260

First-Principles Study of Electronic Structure, Optical and Thermoelectric Properties of Quaternary Chalcogenides

Abid Raza, Banat Gul, Muhammad Salman Khan, Ahmad A. Ifseisi, Siti Maisarah Aziz, Xiaoliang Zhang and Saleh Muhammad

J Inorg Organomet Polym, 2025, 35, 6386
DOI: 10.1007/s10904-025-03664-0