Lead-free perovskites for solar cell applications: recent progress, ongoing challenges, and strategic approaches

Imtiaz Ahmed, Kamal Prakash and Shaikh M. Mobin

Chem. Commun., 2025, 61, 6691
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Multiscale analysis of Rb2NaInI6: from electronic structure to device performance for next-generation perovskite solar cells

Akram Hossan Mahedi, Salah Uddin, Mohammad Yasin Hayat Khan, Md. Tarekuzzaman, O. Alsalmi, Md. Rasheduzzaman, S. M. G. Mostafa, M. Moazzam Hossen and Md. Zahid Hasan

RSC Adv., 2025, 15, 29836
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Computational modeling and photovoltaic performance evaluation of various ETL/HTL engineered CsCdI3-based perovskite solar cell architectures

Ashraful Mujahid, Mohammad Yasin Hayat Khan, Md Mayen Uddin, Fahad Alhashmi Alamer, O. Alsalmi, Md. Rasheduzzaman and Md. Zahid Hasan

RSC Adv., 2025, 15, 32679
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From optoelectronics to scintillation applications: the versatility of lead-free halide double perovskites

Astakala Anil Kumar and Nohyun Lee

Mater. Horiz., 2025
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Design and simulation of the potential of lead-free Ag3Bi1.1I6.3 perovskite solar cells with different charge transport for energy enhancement

Md Aminul Islam, M. Khalid Hossain, M. Shihab Uddin, Apon Kumar Datta, Sahjahan Islam, Pardeep Singh Bains, Rohit Sharma, A. Rajiv, Abdullah M. S. Alhuthali, Magda H. Abdellattif, D. K. Dwivedi and Rajesh Haldhar

RSC Adv., 2025, 15, 27558
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Optimizing Cs2CuBiBr6 double halide perovskite for solar applications: the role of electron transport layers in SCAPS-1D simulations

Khandoker Isfaque Ferdous Utsho, S. M. G. Mostafa, Md. Tarekuzzaman, Muneera S. M. Al-Saleem, Nazmul Islam Nahid, Jehan Y. Al-Humaidi, Md. Rasheduzzaman, Mohammed M. Rahman and Md. Zahid Hasan

RSC Adv., 2025, 15, 2184
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Numerical analysis of the MASnI3/CZT(Se1−xSx) interface to boost the performance via band offset engineering

Rasmiah S. Almufarij, Muazma Jamil, M. Yasir Ali, M. D. Alshahrani, Salhah Hamed Alrefaee, Mohamed Abdelsabour Fahmy, Islam Ragab, A. R. Abd-Elwahed, Adnan Ali and Arslan Ashfaq

RSC Adv., 2025, 15, 16939
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Computational analysis of LiMgI3: a promising material for solar energy conversion

Md. Raihan Kabir, Nazmul Shahadath, Md. Tarekuzzaman, Md. Abu Bakkar Siddique, O. Alsalmi, Md. Rasheduzzaman, Md Abdul Qader, M. Moazzam Hossen and Md. Zahid Hasan

RSC Adv., 2025, 15, 17906
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Bandgap Engineering and Enhancing Optoelectronic Performance of a Lead-Free Double Perovskite Cs2AgBiBr6 Solar Cell via Al Doping

Asad Ullah, Muhammad Iftikhar Khan, Ihtisham-ul-haq, Badriah S. Almutairi, Dalil Bulayis N. AlResheedi and Jeong Ryeol Choi

ACS Omega, 2024, 9, 18202
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ETL and HTL Engineering in CH3NH3PbBr3 Perovskite for Stable and Efficient Performance Photovoltaic Devices Applications using SCAPS‐ 1D

Mohammad Hasin Ishraq, Md. Raihan Kabir, Md. Tarekuzzaman, Md. Ferdous Rahman, Md. Rasheduzzaman and Md. Zahid Hasan

Advcd Theory and Sims, 2024, 7
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Efficient solar trapping with vanadium oxide hole transport layer in perovskite solar cells

Kapil Kumar and Pushpa Giri

Phys. Scr., 2025, 100, 035531
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Theoretical insights into high-efficiency BaZr0.96Ti0.04S3 chalcogenide perovskite solar cells using phthalocyanine HTLs

Evangeline Linda, Aruna-Devi Rasu Chettiar and Latha Marasamy

Materials Letters, 2024, 375, 137203
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Predictive design and performance analysis of lead-free CH3NH3SnI3-based perovskite solar cells through a combination of SCAPS-1D and machine learning based modelling

Tanvir Mahtab Khan, Benjer Islam, Md Mountasir Rahaman, Mirza Md Shakil, Md Ferdous Rahman and Sheikh Rashel Al Ahmed

Solar Energy Materials and Solar Cells, 2025, 282, 113388
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An extensive study on charge transport layers to design and optimization of high-efficiency lead-free Cs2PtI6-based double-perovskite solar cells: A numerical simulation approach

M. Khalid Hossain, Apon Kumar Datta, Osamah Alsalman, M. Shihab Uddin, Gazi F.I. Toki, Moustafa A. Darwish, M.R. Mohammad, D.K. Dwivedi, Rajesh Haldhar and Sergei V. Trukhanov

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Eco-friendly Fabrication of Perovskite Solar Cells: From Material Engineering to Recycling

Olzhas Kurman, Eunju Jung and Ji-Youn Seo

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Emerging class of SrZrS3 chalcogenide perovskite solar cells: Conductive MOFs as HTLs - A game changer?

Evangeline Linda, Aruna-Devi Rasu Chettiar and Latha Marasamy

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Comparative study of different perovskites with the utilization of CuFeS2 as an efficient hole transport material for enhancing solar cell efficiency

Bhoomi S. Shah, Jiten P. Tailor, Sunil H. Chaki and M. P. Deshpande

J Opt, 2025
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Progress in Bismuth/Antimony Halide‐Based Lead‐Free Perovskite Solar Cells via SCAPS‐1D Simulations and Experimental Procedures

Khursheed Ahmad and Tae Hwan Oh

ChemistrySelect, 2025, 10
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Performance optimization of lead-free KGeCl3 based perovskite solar cells using SCAPS-1D

Rahul Kundara and Sarita Baghel

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Achieving a Wonderful Efficiency Enhancement in Ultra-thin Film Perovskite Solar Cells, Utilizing a Single-Step Grating (SSG) Structure and Plasmonic Ag Nanoparticle

Parisa Zarerasouli and Hamid Bahador

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Highly efficient 25.562% Cs2AgBiBr6 double perovskite solar cell with copper barium tin sulfide and ZnO as charge transport channels: an intuition from a theoretical study using SCAPS-1D

Eli Danladi, Emeka E. Oguzie and Fabian I. Ezema

J. Photon. Energy, 2025, 15
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Advanced Computational Study on 144 Combinations of ETL & HTL Layers for High‐Performance Cs₂TeI₆ Solar Cells

Manasvi Raj, Aryan Raj, Aditya Kishor, Aditya Kushwaha and Neeraj Goel

Advcd Theory and Sims, 2025, 8
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Probing the impact of HTL layers on CsGeCl3-based perovskite solar cells for photovoltaic performance

Akram Hossan Mahedi, Md. Sajjadur Rahman, Md. Tarekuzzaman, Hmoud Al-Dmour, Md. Rasheduzzaman, M. Moazzam Hossen, Yasir Arafat and Md. Zahid Hasan

Solar Energy, 2025, 289, 113338
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Computational modelling and photovoltaic performance evaluation of various ETL/HTL engineered MASnI3 planar perovskite solar cell architectures using SCAPS-1D

S. Vaishnavi and G. Seetharaman

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Optimizing CH₃NH₃SnCl₃ solar cell performance: influence of absorber thickness, electron affinity, doping, defects and temperature

Anchal Srivastava, Navina Wadhwani and R. K. Shukla

J Opt, 2025, 54, 127
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Synergetic Triple Absorber Based High‐Efficiency Solar Cell Design

M Gopila, R. Thandaiah Prabu, ATA Kishore Kumar and Atul Kumar

Advcd Theory and Sims, 2024, 7
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Simulated annealing algorithm-assisted SCAPS-1D design enables 27.04 % efficiency in dual-absorber perovskite solar cells

Xiangde Li, Dian Jin, Qinmiao Yu and Jiang Zhao

Journal of Physics and Chemistry of Solids, 2025, 207, 112953
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In-Depth Analysis of Electron and Hole Transport Layers for Enhancing Ca3PI3 Solar Cell Efficiency through Advanced Numerical Simulation

Md. Selim Reza, Avijit Ghosh, Nidhal Drissi, Agnita Sikder Mugdho, Md. Shamim Reza and Mst. Mohona Akter

Langmuir, 2025, 41, 6657
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Towards 30.78 % efficiency: SCAPS-1D and genetic algorithm-assisted design of dual-absorber perovskite solar cells

Xiangde Li and Jiang Zhao

Materials Today Communications, 2025, 45, 112406
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Simulating the Highly Efficient Sb2Se3 Solar Cell with Zn3P2 as a Back Surface Field Layer Using SCAPS-1D

Sheikh Rashel Al Ahmed and Most. Marzia Khatun

Langmuir, 2025, 41, 19659
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Unveiling the role of band offset in inorganic RbGeI3-based perovskite solar cells: a numerical study in SCAPS-1D

Avijit Talukdar, Pratik Debnath, Joy Sarkar and Suman Chatterjee

Indian J Phys, 2024, 98, 3913
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Achieving significant improvements in efficiency of CsSnI3-based solar cells through interfacial engineering design modifications using SCAPS 1D and DFT simulation

M. T. Islam and Mukaddar Sk

Opt Quant Electron, 2025, 57
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A comprehensive SCAPS-1D simulation study on the photovoltaic properties and efficiency enhancement of CH3NH3PbCl3 perovskite solar cells

Md Raihan Kabir, Md Hasin Ishraq, Md Tarekuzzaman, Nazmul Islam Nahid, Jibon Krishna Modak, Sohail Ahmad, Asif Mohammed Arfi, Md Rasheduzzaman and Md Zahid Hasan

Eng. Res. Express, 2025, 7, 015319
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Advancements in the photovoltaic optimization of a high performance perovskite solar cell based on graphene oxide (GO) hole transport layer

George G. Njema, Joshua K. Kibet and Silas M. Ngari

Next Research, 2024, 1, 100055
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Numerical analysis of K2CuBiBr6 for enhanced solar cell performance potential

Jyoti and Deboraj Muchahary

Modelling Simul. Mater. Sci. Eng., 2025, 33, 045018
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A new class of SrHfSe3 chalcogenide perovskite solar cells with diverse HTMs: Theoretical modelling towards efficiency enhancement

Dhineshkumar Srinivasan, Aruna-Devi Rasu Chettiar, Kaviya Tracy Arockiadoss and Latha Marasamy

Solar Energy Materials and Solar Cells, 2025, 290, 113727
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Inorganic Cs2TeI6/Cs2AgInBr6 Dual‐Absorber Perovskite Solar Cells: SCAPS‐1D Optimization and Multiple Machine Learning Comparison Analysis

Xiangde Li, Dian Jin, Haoyu Wang and Jiang Zhao

Advcd Theory and Sims, 2025
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Tuning band alignment and interface properties in MAPbI3-based solar cells with sulfur-rich CZTSe₁₋ₓsₓ HTLs

Arslan Ashfaq, Shoug M. Alghamdi, Elsammani Ali Shokralla, Ubaid Ur Rehman, Hind Albalawi, Zahra Bayhan, Sarah A. Alsalhi and M. Musa Saad H.-E.

Opt Quant Electron, 2025, 57
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The impact of CBz-PAI interlayer in various HTL-based flexible perovskite solar cells: A drift-diffusion numerical study

Selma Rabhi, Talaat A. Hameed, Sasikumar Mayarambakam, M. Khalid Hossain and Karthick Sekar

Heliyon, 2024, 10, e31138
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Artificial neural network assisted numerical analysis on performance enhancement of Sb2(S,Se)3 solar cell with SnS as HTL

Tanvir Mahtab Khan, Adnan Hosen, Okba Saidani and Sheikh Rashel Al Ahmed

Materials Today Communications, 2024, 40, 109639
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Device engineering and performance analysis of Cs2AgSbBr6 perovskite solar cells using SCAPS-1D

S.M.G Mostafa, Khandoker Isfaque Ferdous Utsho, Md. Sajjadur Rahman, Md. Tarekuzzaman, O. Alsalmi, Md. Rasheduzzaman and Md. Zahid Hasan

Inorganic Chemistry Communications, 2025, 178, 114636
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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
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Engineering Next-Generation Rb2SeI6 Perovskite Solar Cells for Sustainable Energy Development

Md. Tarekuzzaman and Khandoker Isfaque Ferdous Utsho

ACS Appl. Eng. Mater., 2025
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A numerical approach to optimize the efficiency of a novel HTL-free Sr3Ti2S7 Ruddlesden-Popper perovskite solar cell

Debashish Pal, Soumee Das, M. Khalid Hossain, M.R. Mohammad, Mohammad R. Karim, Rajesh Haldhar and T.S. Soliman

Inorganic Chemistry Communications, 2024, 165, 112529
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Performance improvement and optimization of Cs₂TiI₂Br₄ perovskite solar cells with diverse charge transport materials via numerical analysis

M. Shihab Uddin, Sohel Rana, M. Khalid Hossain, Abhinav Kumar, Prakash Kanjariya, Pardeep Singh Bains, Rohit Sharma, Harish Kumar, Gaurang Tank, Aboud Ahmed Awadh Bahajjaj and V.K. Mishra

Journal of Physics and Chemistry of Solids, 2025, 198, 112486
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Comprehensive analysis of transport layers and interface defects in MAPbI3 based PSCs for enhanced efficiency

Mohsen Saadat and Shahla Bameri

Discov Appl Sci, 2025, 7
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Design and optimization analysis of a lead-free perovskite solar cell based on copper (I) iodide hole transport layer

George G. Njema, Vincent Kioko, Bonface N. Mwangi and Joshua K. Kibet

Opt Quant Electron, 2024, 56
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Enhancing Stability of Microwave‐Synthesized Cs2SnxTi1‐xBr6 Perovskite by Cation Mixing

Emmanuel Reyes‐Francis, Beatriz Julián‐López, Carlos Echeverría‐Arrondo, Jhonatan Rodríguez‐Pereira, Diego Esparza, Tzarara López‐Luke, Jaime Espino‐Valencia, Daniel Prochowicz, Iván Mora‐Seró and Silver‐Hamill Turren‐Cruz

ChemSusChem, 2025, 18
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A review of the effect of stability issues and wide-bandgap in the application of perovskite solar cells

Prince Tshepho Mokabane, Valantine Takwa Lukong and Tien-Chien Jen

Mater Renew Sustain Energy, 2025, 14
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Assessment of double CdS/CdTe based solar cells using carbon as back contact: an exclusive optimization method

Sagar Bhattarai, Ahmad Abu Jrai, Prakash K, Jatinder Kaur, Junainah Abd Hamid, Pratap Kumar Dakua, Jaya Madan and Rahul Pandey

J Opt, 2024
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Modeling and simulation of lead-free, formamidinium germanium-antimony halide (FA4GeSbCl12) based solar cell

R. K. Shukla, Anchal Srivastava, Navina Wadhwani, Shobhit Shukla and Nidhi Singh

J Opt, 2025
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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
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Silvaco simulation of single and bilayer Cs2PtI6 and CsPbI3 perovskite solar cells

Sid Ahmed Khantar, Chahrazed Bendenia, Souhila Bendenia, Hanaa Merad-Dib, Samia Moulebhar and Sarra Merabet

Phys. Scr., 2025, 100, 076103
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Highly efficient lead-free silver bismuth iodide (Ag3BiI6) rudorffite solar cells with novel device architecture: A numerical study

Karthick Sekar, Latha Marasamy, Sasikumar Mayarambakam, Premkumar Selvarajan and Johann Bouclé

Materials Today Communications, 2024, 38, 108347
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Optimizing efficiency in CHTS-based solar cells through controlling tin content of (Zn, Sn)O buffer layer and integration of SnS as back surface field layer: a numerical approach

Baseerat Bibi, Tauseef Anwar, Ahmad M. Saeedi, Raed H. Althomali, Gideon F. B. Solre, Sadia Malik, Fatma A. Ibrahim, Mohamed S. Hamdy, Sana Ullah Asif, Waseem Ur Rahman and Saqlain Haider

Opt Quant Electron, 2024, 56
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