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Boosting efficiency above 28% using effective charge transport layer with Sr3SbI3 based novel inorganic perovskite

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Harnessing the potential of CsPbBr3-based perovskite solar cells using efficient charge transport materials and global optimization

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

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A novel investigation of pressure-induced semiconducting to metallic transition of lead free novel Ba3SbI3 perovskite with exceptional optoelectronic properties

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Innovative computational framework for Sr3SbCl3 absorber optimization: DFT, SCAPS-1D, and machine learning perspectives

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Enhancing stability and efficiency in perovskite solar cells: insights into inorganic HTL deposition and interface defect passivation

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Achieving above 24% efficiency with non-toxic CsSnI3 perovskite solar cells by harnessing the potential of the absorber and charge transport layers

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Computational analysis of LiMgI3: a promising material for solar energy conversion

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Efficiency enhancement of perovskite solar cell devices utilizing MXene and TiO2 as an electron transport layer

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Computational study of SnO2 polymorphs as electron transport layer for Pb-free Cs2TiBr6-based double perovskite solar cells

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Improving the efficiency of a CIGS solar cell to above 31% with Sb2S3 as a new BSF: a numerical simulation approach by SCAPS-1D

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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

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Deep insights into lead-free Sr3BiI3-based anti-perovskite solar cells: optimization strategies and impedance spectroscopy via numerical simulation and machine learning

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Design and simulation of strong cesium copper–bismuth chloride double perovskite solar cells with an efficiency exceeding 25% for plateau areas

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Effect of Adding Cu2O as a Back Surface Field Layer on the Performance of Copper Manganese Tin Sulfide Solar Cells

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Exploring potential of lead-free KSn0.5Ge0.5I3 based perovskite solar cell: A combined first-principle DFT and SCAPS-1D study

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DFT-Computational Modeling and TiberCAD Frameworks for Photovoltaic Performance Investigation of Copper-Based 2D Hybrid Perovskite Solar Absorbers

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CsPbI3-perovskite quantum dot solar cells: unlocking their potential through improved absorber layer characteristics and reduced defects

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Investigation strain effects on the electronic, optical, and output performance of the novel inorganic halide perovskite Sr3SbI3 solar cell

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Structural optimization of inverted CsPbI2Br perovskite solar cells for enhanced performance via SCAPS-1D simulation

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Lead-free perovskites and derivatives for photogeneration: a roadmap to sustainable approaches for photovoltaics and photo(electro)catalysis

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Performance analysis of highlyefficient lead-free perovskite solar cells: a numerical insight

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J Opt, 2025, 54, 2731
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Defect controlled photovoltaic performances in HTL-free inorganic Bi-based perovskite-inspired solar cells

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Investigation of optoelectronic and photovoltaic characteristics of A2NaAlI6 (A = Rb, Cs)-based perovskite solar cells with different charge transport layers: DFT and SCAPS-1D simulation

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Research progress of rare earth zirconate thermal barrier coating ceramic materials

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Design and Optimization of High-Performance Novel RbPbBr3-Based Solar Cells with Wide-Band-Gap S-Chalcogenide Electron Transport Layers (ETLs)

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Performance optimization of MASnI3 perovskite solar cells: Insights into device architecture

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Improving the performance of perovskite solar cells with carbon nanotubes as a hole transport layer

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Spray-coated lead-free CsSnBr3 all-inorganic perovskites for efficient solar cells: A combined experimental and theoretical approach

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J Mater Sci: Mater Electron, 2026, 37
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Computational Insights Into Rubidium-Based Double Perovskites and Charge-Transport Layer Engineering for High-Efficiency Perovskite LEDs

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Influence of CuO Layer on the Performance of Thin-Film Copper Indium Gallium Selenide Solar Cells: A Numerical Analysis

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Enhancing the photovoltaic potential of lead-free CsSnCl3 perovskite via Al/In doping: A combined DFT and SCAPS-1D study

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Comprehensive Study of FAGeI3 Lead‐Free Perovskite Solar Cell: A SCAPS‐1D Simulation

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Design and investigation of mixed-halide Rb0.05Cs0.05MA0.15FA0.8Pb(I0.85Br0.15)3 on crystalline silicon monolithic tandem solar cell with experimental correlations of sub cells utilizing SCAPS-1D framework

Abhijit Das, Naba Kumar Rana, Babban Kumar Ravidas, Surya Ketaraju, Vamsi Krishna Komarala, D.P. Samajdar and Nikhil Chander

Journal of Physics and Chemistry of Solids, 2025, 200, 112541
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Progress in Bismuth/Antimony Halide‐Based Lead‐Free Perovskite Solar Cells via SCAPS‐1D Simulations and Experimental Procedures

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Highly efficient lead-free solar cell using perovskite and chalcogenide materials

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Synthetic dataset to study the performance of perovskite solar cell simulations

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Design and numerical analysis of CIGS-based solar cell with V2O5 as the BSF layer to enhance photovoltaic performance

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AIP Advances, 2023, 13
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Inorganic novel cubic halide perovskite Sr3AsI3: Strain-activated electronic and optical properties

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Investigating the physical characteristics and photovoltaic performance of inorganic Ba3NCl3 perovskite utilizing DFT and SCAPS-1D simulations

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Materials Science and Engineering: B, 2024, 308, 117559
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Emerging class of SrZrS3 chalcogenide perovskite solar cells: Conductive MOFs as HTLs - A game changer?

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Solar Energy Materials and Solar Cells, 2024, 278, 113204
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Design Insights into La2NiMnO6-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

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Energy Fuels, 2023, 37, 13377
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Enhancing photovoltaic performance in copper-based perovskites: A comparative analysis of 3D and 2D structural paradigms for superior efficiency

Abhinit Pradhan, Poonam Subudhi and Deepak Punetha

Journal of Power Sources, 2025, 629, 235999
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Optimized solar conversion achieved with double halide X2NaIrCl6 (X = Rb, Cs) perovskites for optoelectronic and photovoltaic applications

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Energy Nexus, 2025, 20, 100549
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Machine Learning-Driven SCAPS Modeling for Optimizing CH3NH3SnBr3 Perovskite Solar Cells: Analytical Insights into Materials for Hole Transport and the Active Layer

Avijit Ghosh, Mahbuba Moumita, Md. Aliahsan Bappy, Nondon Lal Dey, Md. Aktarujjaman, Md. Majadul Islam Jim, Nasser S. Awwad and Hala A. Ibrahium

Langmuir, 2025, 41, 11215
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Engineering Next-Generation Rb2SeI6 Perovskite Solar Cells for Sustainable Energy Development

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Computational investigations to evaluate the performance of [X3SbI3; X = Sr, Ba] optical absorber-based solar cells

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Optimization of Perovskite-KSnI3 Solar Cell by Using Different Hole and Electron Transport Layers: A Numerical SCAPS-1D Simulation

Farhana Bari Sumona, Muhammad Kashif, Eli Danladi, Ammar M. Tighezza, Nahid Al-Mahmud, Gazi F. I. Toki, Rahul Pandey and M. Khalid Hossain

Energy Fuels, 2023, 37, 19207
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Numerical modeling of a novel lead-free double perovskite Cs2PdBr6 solar cell with organic–inorganic electron transport layers: a computational study using SCAPS-1D software

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J Opt, 2024
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Optimization of power conversion efficiency of FTO/WS2/Cs2SnI6/V2O5/Au Pb-free solar cell with all-inorganic transport layers

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Design and performance analysis of Cs2Ag(SbyBi1‐y)Br6 perovskite solar cells: Insights from SCAPS-1D device simulations

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Predictive design of KSnI3-based perovskite solar cells using SCAPS and machine learning model

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DFT analysis of the perovskite energetic materials DAP-5: Alteration of the physical properties by strain effect

Feng Gu and Jijun Xiao

International Journal of Hydrogen Energy, 2026, 227, 154560
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Simulation and modeling of a new CsSnI3 solar cell structure: a numerical study

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First-principles investigation and SCAPS-based optimization of Cs2Sb2Br8 Dion–Jacobson perovskites for solar cell applications

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Opt Quant Electron, 2025, 57
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Exploring Optoelectronic Behavior and Solar Cell Efficiency of Double Halide Perovskites M2KIrCl6 (M = Cs, Rb) through DFT and SCAPS-1D

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Langmuir, 2025, 41, 19797
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Optimal Parameter Identification of Perovskite Solar Cells Using Modified Bald Eagle Search Optimization Algorithm

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Exploring the inorganic perovskite materials Mg3SbX3 (Where, X=I, Br, Cl and F) through the perspective of density functional theory: Adjustment of physical characteristics as consequence of strain

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Numerical Simulations for the Performance Optimization of SnO2/Cs2AgInBr6/CuO Lead-Free Perovskite Solar Cells

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CuBi2O4 solar cells surpassing 33 % efficiency: A path to sustainable and temperature-stable photovoltaics

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Optimization of the architecture of lead-free CsSnCl3-perovskite solar cells for enhancement of efficiency: A combination of SCAPS-1D and wxAMPS study

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Strain effect on the physical properties of novel Mg3NI3 perovskite material: First principle DFT analysis

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SCAPS-1D study on the design and performance optimization of Sr3NCl3 solar cell: Assessing the significance of copper oxide (Cu2O) and copper(I) thiocyanate (CuSCN) as hole transport layers

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A computational and machine learning-driven investigation of Ca3BiBr3 perovskite solar cells: Fine-tuning the hole transport layer for enhanced performance

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Enhancing perovskite solar cell efficiency to 28.17% by Integrating Dion-Jacobson 2D and 3D phase perovskite Absorbers

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Numerical Analysis in DFT and SCAPS-1D on the Influence of Different Charge Transport Layers of CsPbBr3 Perovskite Solar Cells

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Device engineering and performance analysis of Cs2AgSbBr6 perovskite solar cells using SCAPS-1D

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Construction of CZTS laminated PSCs with efficient and stability: Further optimization based on SCAPS-1D and first principle studies

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Harnessing the photovoltaic potential of dual absorbing layer in perovskite-based solar cells for efficient energy solutions

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Performance analysis of CuInSe2-based thin-film solar cells with different electron transport and hole transport materials by SCAPS-1D

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Performance evaluation of an eco-friendly and highly efficient FASnI3-based perovskite solar cell using Mg-doped CuCrO2 as HTL

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Impact of tin-based perovskite as a hole transport layer on the device performance of stable and 27.10% efficient CdTe-based solar cell by numerical simulation

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Investigation on the Performance Enhancement of Heterojunction SnS Thin-Film Solar Cell with a Zn3P2 Hole Transport Layer and a TiO2 Electron Transport Layer

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Augmenting CIGS Solar Cell Efficiency Through Multiple Grading Profile Analysis

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Optimizing hole transport materials and electrodes for enhanced performance in RbGeBr3-based on perovskite solar cells utilizing fullerene as an electron transport material

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Deep insights on the performance of different structures of InGaN-based tandem photovoltaic cells: path towards the design of high efficiency PV modules

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High performance Rb2AgBiI6 perovskite solar cell with optimized charge transport layers for space applications

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Efficiency enhancement via novel lead-free inorganic CsSnBr3/Cs3Bi2I9 heterojunction absorber layer in perovskite solar cell

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Integrated simulation of Li2AgBiBr6 solar harvesters: Device-level engineering and module-level forecasting

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Recent advances in rare earth doped metal oxide based nanomaterials for supercapacitors

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Revolutionizing environment friendly FASnI3 perovskite solar cells with pioneering selenium doped metal chalcogenide charge transport layer unlocking 32% efficiency

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Highly efficient lead-free perovskite solar cells with optimized dual-absorber structure

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Investigation of efficiency and temperature dependence in RbGeBr3-based perovskite solar cell structures

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A study on optoelectronic properties and charge transport layer influence in novel Sr3PF3-Based perovskite solar cells using numerical simulation and machine learning

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

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Performance Optimization of (FA)2BiCuI6-Based Perovskite Solar Cells: A Path to Achieve High Efficiency Through Simulation Strategy

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2D Dion Jacobson perovskite combined with 3D sulfur-based perovskite further improves the performance and stability of PSCs: SCAPS-1D software combined with DFT

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In-Depth Analysis of Electron and Hole Transport Layers for Enhancing Ca3PI3 Solar Cell Efficiency through Advanced Numerical Simulation

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Efficient and stable hole-transporting-layer-free perovskite solar cells by introducing propionyl chloride passivator

Sadeer M. Majeed, Mustafa K. A. Mohammed and Duha S. Ahmed

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Numerical modeling and performance evaluation of non-toxic Cs2TiF6 based perovskite solar cells: A SCAPS-1D simulation study

M. Khalid Hossain, Apon Kumar Datta, M. Shihab Uddin, Abhinav Kumar, Ashish Agrawal, Razan A. Alshgari and V.K. Mishra

Journal of Physics and Chemistry of Solids, 2025, 203, 112734
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Optimizing the performance of Cs2AgBiBr6 based solar cell through modification of electron and hole transport layers

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Numerical Modeling and Performance Optimization of an FTO/SnO2/Cs2AgBiBr6/NiO/Pt Double Perovskite Solar Cell Using SCAPS‐1D

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Numerical investigation on non-toxic double perovskites A2(BB′)X6 for all-inorganic efficient photovoltaics

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Improving performance and recombination losses in lead free formamidinium tin based perovskite solar cells

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Enhancing SrZrS3 perovskite solar cells: A comprehensive SCAPS-1D analysis of inorganic transport layers

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Journal of Physics and Chemistry of Solids, 2025, 196, 112378
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Numerical simulation and performance enhancement of CsBi3I10-based heterojunction solar cell with various semiconductor layers (CZTS, CZTGS, Al0.8Ga0.2Sb, GaAs) along with machine learning-based analysis

Rabeya Khan, Nadira Farjana, Mst. Jahida Akter Jim, Jehan Y. Al-Humaidi, Md Rasidul Islam and Md Masud Rana

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Optimizing power conversion efficiency in (FA)₂BiCuI₆ double perovskite solar cells: advanced strategies for performance enhancement

Mahnoor Malik, Muhammad I. Masud, Muhammad Kashif, Maher Un Nisa Tariq, Mohammed Alqarni and Syed Salman Shafqat

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Improving performance of solar cells using optimized Cs2AgBi2I9-Cs3Bi2I9/Rb2AgBiI6 double perovskite tandem structure for space applications

Srinivas Mattaparthi, S.K. Tripathy and Himanshu Karan

Materials Science and Engineering: B, 2026, 324, 118958
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SCAPS simulation and DFT study of ultra-thin lead-free perovskite solar cells based on RbGeI3

Zhenkun Qin, Yonglin Zhang and Jiejie Guo

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Unlocking the potential of 2D material-based charge transport layers for flexible lead-free CsSnBr3 perovskite solar cells

Eri Widianto, Hilman Imadul Umam, Kardiman, Muhammad Yusrul Hanna, Nawa Yunia Ekariyani, Muhammad Riswan, Frendy Jaya Kusuma, Shobih, Natalita Maulani Nursam and Iman Santoso

Journal of Physics and Chemistry of Solids, 2025, 207, 112899
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Photovoltaic Performance Investigation of Cs3Bi2I9-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

M. Khalid Hossain, G. F. Ishraque Toki, D. P. Samajdar, M. H. K. Rubel, M. Mushtaq, Md. Rasidul Islam, Md. Ferdous Rahman, Sagar Bhattarai, H. Bencherif, Mustafa K. A. Mohammed, Rahul Pandey and Jaya Madan

Energy Fuels, 2023, 37, 7380
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Investigating Optoelectronic Characteristics and Improving the Efficiency of Mg3AsBr3 Perovskite Solar Cells through Machine Learning and Numerical Simulations Utilizing Diverse Charge Transport Materials

Asadul Islam Shimul, Avijit Ghosh, Md Ferdous Ahmed, Agnita Sikder Mugdho, Zayadul Hasan, Nasser S. Awwad and Hala A. Ibrahium

Langmuir, 2025, 41, 13655
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Exploring the impact of strain on the electronic and optical properties of inorganic novel cubic perovskite Sr3PI3

Md Ferdous Rahman, Md Harun-Or-Rashid, Md Rasidul Islam, Avijit Ghosh, M Khalid Hossain, Sagar Bhattarai, Rahul Pandey, Jaya Madan, M A Ali and Abu Bakar Md Ismail

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Achieving over 28 % efficiency in inorganic halide perovskite Ca3AsI3: Optimization of electron transport layers via DFT, SCAPS-1D, and machine learning

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Journal of Physics and Chemistry of Solids, 2025, 200, 112622
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An investigation on the impact of temperature variation over the performance of formamidinium tin iodide perovskite solar cell using SCAPS simulation

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AIP Advances, 2024, 14
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Numerical simulation and comparative theoretical analysis of performance optimization for perovskite solar cells based on SCAPS-1D

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Comparative study of solar cells based on triple and graded absorber layers with the compound CsSn1-xGexI3: Numerical study and optimization

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Journal of Physics and Chemistry of Solids, 2025, 199, 112561
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Efficiency optimization of double perovskite solar cells using Bi₂FeCrO₆ and Cs₂BiAgI₆ without charge transport layers: a SCAPS-1D simulation study

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Theoretical study on the effect of strain engineering on the structure and properties of energetic silver-based perovskite

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Exploring 32 % efficiency of eco-friendly kusachiite-based solar cells: A numerical study

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Journal of Physics and Chemistry of Solids, 2025, 196, 112369
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Bandgap tuning of RbCaBr3 using hydrostatic pressure: First-principles insight to explore its electronic, physical, thermophysical, and mechanical properties

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Highly efficient (31%) of rubidium-based halide perovskite solar cell using SCAPS-1D simulation

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AIP Advances, 2025, 15
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Deep Insights into the Coupled Optoelectronic and Photovoltaic Analysis of Lead-Free CsSnI3 Perovskite-Based Solar Cell Using DFT Calculations and SCAPS-1D Simulations

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ACS Omega, 2023, 8, 22466
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Physical parameter optimization and band alignment approach for efficiency improvement in Cs2AgBiBr6 based lead-free perovskite solar cells

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Design and optimization of Cs2SnI6 based inorganic perovskite solar cell model: numerical simulation

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Prospects and Challenges of Proton Conducting Cerates in Electrochemical Hydrogen Devices for Clean Energy Systems: A Review

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Exploring the theoretical potential of tungsten oxide (WOx) as a universal electron transport layer (ETL) for various perovskite solar cells through interfacial energy band alignment modulation

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Boost efficiency with buffer and bottom stack optimization in Cu2BaSn(S,Se)4 solar cells by simulation

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Optimization of CsGeI3 lead-free perovskite solar cells through transport-layer-dependent charge extraction and recombination dynamics

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Multiscale computational and machine learning insights into rare-earth-doped front electrode and La2NiMnO6 double perovskite material for photovoltaic applications and proposed fabrication pathways

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Investigating the potential of lead-free Cs2AgBiI6 and Cs2AgBiBr6 double perovskites for photovoltaic applications

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Optimizing key parameters to enhance the performance of lead-free perovskite solar cells with a Cs2AgBiCl6 absorber layer using SCAPS-1D simulation

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Theoretical investigation of the photovoltaic properties of MgSnN2 for multi-junction solar cells

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Perovskite Solar Cells with Dual Light Absorber Layers for Performance Efficiency Exceeding 30%

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The impact of group V cation substitution on the structural and functional properties of Sr3MF3 (M = Sb, As, P, N) fluoro-perovskites

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Inorganic Chemistry Communications, 2025, 182, 115426
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Optimizing charge transport and bandgap alignment of ETL and HTL in Tin-based perovskite solar cells via machine learning

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Predicting the Inverse Coupling Between Temperature and Photovoltaic Output Power in Perovskite Heterojunction Solar Cells

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Design of Thermodynamically Stable Lead‐Free Cs2InCuCl6 Double Perovskite Solar Cells

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Advcd Theory and Sims, 2025, 8
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Advancing RbGeBr3 perovskite solar cells with metal doped chalcogenide ETL: A leap towards higher efficiency

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Strain-induced changes in the electronic, optical and mechanical properties of the inorganic cubic halide perovskite Sr3PBr3 with FP-DFT

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Enhancing efficiency and performance of Cs2TiI6-based perovskite solar cells through extensive optimization: A numerical approach

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Synergistic First-Principles and SCAPS-1D Study of Halide-Site Engineered Sr₃BiX₃ (X = I, Br, and Cl) Perovskites for Optoelectronic Applications

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An analysis comparing the performance of lead and tin halides organic Perovskite Solar Cells and numerical simulation with SCAPS

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Optical Materials, 2024, 155, 115814
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Superiority of Strontium-Doped Barium Titanate as an Electron Transport for Perovskite Solar Cells for Enhanced Efficiency and Thermal Stability

Minhaz Mahmood, Mohammad Tariqul Islam, Md Samiul Islam, Sakhr M. Sultan, Kashfia Noor, M. A. Islam, K. Sopian, Abdullah Alghafis, Mohd Adib Ibrahim and K. Sobayel

Trans. Tianjin Univ., 2025, 31, 42
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Synthetic dataset to study the performance of perovskite solar cell simulations

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Highly efficient and stable Dion–Jacobson(DJ) 2D-3D perovskite solar cells with 26 % conversion efficiency: A SCAPS-1D study

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Journal of Physics and Chemistry of Solids, 2024, 191, 112038
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An Experimental and Simulation Study of Cu6BiAgI10 Photovoltaics with Various Organic and Inorganic Hole Transport Layers for the Improved Photovoltaic Performance of Solar Cells

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Highly efficient lead-free silver bismuth iodide (Ag3BiI6) rudorffite solar cells with novel device architecture: A numerical study

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Materials Today Communications, 2024, 38, 108347
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First-principles study of optoelectronic properties of new lead-free double perovskites Cs2NaInX6 (X=Br, I) for next generation thin-film photovoltaics

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Enhancing Pb-free inorganic perovskite solar cell using carbon as metal back contact and molybdenum trioxide as hole transport layer

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Design and Simulation of Cs2BiAgI6 Double Perovskite Solar Cells with Different Electron Transport Layers for Efficiency Enhancement

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Device engineering of lead‐free FaCsSnI3/Cs2AgBiI6‐based dual‐absorber perovskite solar cell architecture for powering next‐generation wireless networks

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DFT and SCAPS-1D based optimization study of double perovskite Cs2AuBiCl6 solar cells utilizing different charge transport layers

Omkar Rajendra Lunge, Babban Kumar Ravidas, Sagar Bhattarai, Rahul Pandey, Jaya Madan, Mukesh Kumar Roy, M. Khalid Hossain and Dip Prakash Samajdar

Journal of Physics and Chemistry of Solids, 2024, 195, 112260
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Numerical simulation and optimization of all inorganic RbGeBr3 perovskite solar cells

Yizheng Lu, Xiaoying Chen, Guochuan Pan, Qi Chen, Le Chen, Huanan Wang, Jili Wen, Cheng Peng, Chaoen Li and Jiang Wu

Solar Energy, 2026, 303, 114119
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A first principle investigation to explore the effect of Zr-site Ti doping on structural, electronic, optical, and mechanical properties of BaZrO3

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Sci Rep, 2025, 15
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Comparative study of using different HTL and ETL in inverted 2D/3D bilayer-based perovskite solar cell

M Najafi, A Kiani-Sarkaleh, A Ghadimi, S A Sedigh Ziabari and Ali Abdolahzadeh Ziabari

Phys. Scr., 2026, 101, 075509
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Structural, electronic and optical characteristics of inorganic cubic perovskite Sr3AsI3

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Unveiling the potential of lead-free Cs2AgBi0.75Sb0.25Br6 double perovskite solar cells with multilayer charge transport for 30% efficiency

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Interfacial Engineering Using Low-Temperature Indium Sulfide Electron-Transporting Material for Efficient Sn-Based Perovskite Solar Cells

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Performance Engineering of Cs2AuScI6 Double Halide Perovskite Solar Cell: A DFT and SCAPS‐1D Approach to 31.82% Efficiency

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Lead-free novel perovskite Ba3AsI3: First-principles insights into its electrical, optical, and mechanical properties

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Investigation of a novel inorganic cubic perovskite Ca3PI3 with unique strain‐driven optical, electronic, and mechanical properties

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Modeling and numerical analysis of FTO/TiO2/Cs2BiAgI6/CBTS/Au solar cells for enhanced photovoltaic performance

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Understanding the Role of Six BSF on SnSe Thin Film Solar Cell and Efficiency Enhancement Beyond 32%

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Prediction of optoelectronic properties and efficiency of halide double perovskites Rb2NaInX6 (X=Br, I) for solar cell applications: A density functional theory approach

Mossab Oublal, Mobarek Dib, Ali Khalal, Fatiha Chibane, Es-Said Es-Salhi, Abdelhakim Nafidi and Essediq Youssef El-Yakoubi

Materials Science in Semiconductor Processing, 2025, 200, 109917
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Boosting efficiency above 30 % of novel inorganic Ba3SbI3 perovskite solar cells with potential ZnS electron transport layer (ETL)

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Materials Science and Engineering: B, 2024, 300, 117073
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Next-generation solar absorber candidate Rb2PdTe2: a study based on DFT, SCAPS-1D, and machine learning approaches

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J Mater Sci, 2026, 61, 960
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CH3NH3Pb1−xCuxI3-based solar cell: Numerical study and optimization with different inorganic hole transport layers

Nabil Bouri, Abdelali Talbi, Mohammed Makha, Amal Bouich, Tesfaye Abebe Geleta and Khalid Nouneh

Chemical Physics Impact, 2025, 10, 100873
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Numerical simulation of an HTL-free carbon-based perovskite solar cell with graphitic carbon nitride doped zinc oxide as electron transport layers

Joseph Kariuki, Nicholas Rono, Chinedu Christian Ahia, Eric Kibagendi Osoro and Edson L. Meyer

Next Energy, 2025, 7, 100245
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Hydrothermal Synthesis, Phase Analysis, and Magneto-Electronic Characterizations of Lead-Free Ferroelectric BM2+(Zn, Ca, Mg)T–BFO System

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ACS Omega, 2024, 9, 9147
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Exploring the Optoelectronic and Photovoltaic Characteristics of Lead‐Free Cs2TiBr6 Double Perovskite Solar Cells: A DFT and SCAPS‐1D Investigations

M. Khalid Hossain, Sahjahan Islam, M. Najmus Sakib, M. Shihab Uddin, Gazi F. I. Toki, Mirza H. K. Rubel, Jahanara Nasrin, Sara H. Shahatha, M. R. Mohammad, Asma A. Alothman, Chaitany Jayprakash Raorane, Rajesh Haldhar and Hichem Bencherif

Adv Elect Materials, 2025, 11
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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

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Results in Physics, 2024, 61, 107751
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Band alignment studies of Zn1-xNixO/ZnO: As bilayer electron transport layer in perovskite solar cells

Prateek Gupta

Optical Materials, 2024, 150, 115305
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Machine Learning‐Based Optimization and Performance Enhancement of CH3NH3SnBr3 Perovskite Solar Cells with Different Charge Transport Materials Using SCAPS‐1D and wxAMPS

Asadul Islam Shimul, M. A. Khan, Abu Rayhan and Avijit Ghosh

Advcd Theory and Sims, 2025, 8
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Next-generation lead-free solar cells with MASnBr3/ZnSnN2 dual absorbers for high efficiency

Md. Mehedi Hasan, Mst. Aysha Siddika, Md. Feroz Ali, Md. Rafiqul Islam Sheikh, Abdullah Al Mamun and Md Jakir Hossen

Front. Mater., 2025, 12
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Numerical Simulation and Machine Learning-Driven Engineering of K2GeI6 Perovskite Solar Cells for High-Efficiency and Sustainable Photovoltaics

Md. Tarekuzzaman, Khandoker Isfaque Ferdous Utsho, Adnan Sami Sarker, Md. Imam Uddin Forkan and Md. Ashiquzzaman Khan

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Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling

Kamal Assiouan, Hanan Ziani, Jamal EL Khamkhami and Abdelfattah Achahbar

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Review and Perspectives of Perovskite Solar Cells: Toward Environmentally Sustainable and Efficient Photovoltaics

Abhinav Thakur, Manasvi Raj, Mohit Deupa, Raghuram Surapaneni, Shaurya Gupta and Neeraj Goel

Energy Fuels, 2025, 39, 24012
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Highly Efficient Perovskite Heterojunction Solar Cell With Dual Absorber Layers for State of Art Photovoltaic Technologies

G. Venkateswarlu and Umakanta Nanda

IEEE Access, 2025, 13, 62648
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A thorough investigation of HTL layers to develop and simulate AgCdF3-based perovskite solar cells

Abeer A. Hassan, Md. Selim Reza, Avijit Ghosh, Nondon Lal Dey, Md. Shamim Reza, Mohammad Shahjalal, Abul Kashem Mohammad Yahia, Md. Mahfuz Hossain, Md Shameem Ahsan, Md Farad Ahmmed and H.A. Alrafai

Materials Science and Engineering: B, 2024, 310, 117744
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Analysis of the role of A-cations in lead-free A3SbI3 (A = Ba, Sr, Ca) perovskite solar cells

Md. Harun-Or-Rashid, Lamia Ben Farhat, Ameni Brahmia, Mustafa K. A. Mohammed, Md. Azizur Rahman, Ahmed Azzouz-Rached and Md. Ferdous Rahman

J Mater Sci, 2024, 59, 6365
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Assessing the performance of MoTe2 based solar cell with Cu2O hole transport layer through device simulation

Naimur Rahman, Md. Dulal Haque, Md. Ferdous Rahman, Md. Mominul Islam, Most. Airin Nahar Juthi, Anita Rani Roy, Most. Alema Akter and Md. Foridul Islam

Discov Mater, 2023, 3
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Predictive modeling and optimization of WS2 thin-film solar cells: A comprehensive study integrating machine learning, deep learning and SCAPS-1D approaches

Tanvir Mahtab Khan, Md Atik Shams, Most Marzia Khatun, Jamim Hossain Chowdhury, Md Saif Uddin, Tofail Ahmmed Emon, Mirza Md Shakil and Sheikh Rashel Al Ahmed

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Numerical simulation and optimization of all-inorganic P-type heterojunction CsPbIBr2/CsGeI3 perovskite solar cells

Yuxing Gao, Yanhua Zhang, Zhuoxin Dong, Wenjing Gao, Wenjie Zhang, Nan Zhao, Bo Liu, Min Li, Cheng Peng and Jiang Wu

Journal of Physics and Chemistry of Solids, 2026, 208, 113177
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Design and performance optimization of mixed-cation Rb-Cs-FA perovskite solar cells based on SCAPS-1D simulations

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Exploring new lead-free halide perovskites RbSnM3 (M = I, Br, Cl) and achieving power conversion efficiency > 32 %

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Effect of metal (Cr, Sr, Ag, Cu) doping on the performance of lead-free RbSnI3 based perovskite solar cells: A theoretical approach

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An extensive study on multiple ETL layers to design and simulation of high-performance Ag2MgSnSe4-based chalcogenide solar cells for photovoltaic applications

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An extensive study on multiple ETL and HTL layers to design and simulation of high-performance lead-free CsSnCl3-based perovskite solar cells

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Enhanced optoelectronic behavior of eco-friendly Cs2BiCuI6 double perovskite solar cells via terbium-doped FTO and graphene oxide interface engineering

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Modeling and optimization of high-efficiency ZnO /RbGeBr₃ Perovskite solar cells using organic hole-transport layers

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Investigation of the Cobalt-Additive Role in Improving the Performance of Formamidium Lead Triiodide Based Solar Cells

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Tailoring the SnO2 electron transport layer with hydrofluoric acid to assemble efficient and stable HTL-free perovskite solar cells

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Review on Functional Electrolyte, Redox Polymers, and Solar Conversions in 3G Emerging Photovoltaic Technologies: Progress and Outlook

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Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement

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Chlorine‐doped perovskite materials for highly efficient perovskite solar cell design offering an efficiency of nearly 29%

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Highly efficient, hole transport layer (HTL)-free perovskite solar cell based on lithium-doped electron transport layer by device simulation

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Enhanced optoelectronic and photovoltaic properties of eco-friendly Cs2AgRhX6 (X = Cl, Br) absorbers for next-generation solar cells

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Boosting the efficiency of Cs2BiAgI6 perovskite solar cells: Device modeling and machine learning prediction

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Optimization and performance analysis of CuBiSCl2 based perovskite solar cells: a comprehensive study

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Performance analysis and optimization of SnSe thin-film solar cell with Cu2O HTL through a combination of SCAPS-1D and machine learning approaches

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Graded Approach for Engineering and Optimization of High-Efficiency Solar Cells with a Mixed Pb/Sn Perovskite Absorber

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Tunable optoelectronic properties in lead-free CsSnI3 perovskites enabled by relativistic bonding effects

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An in-depth analysis of how strain impacts the electronic, optical, and output performance of the Ca3NI3 novel inorganic halide perovskite

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Unlocking the lead-free new all inorganic cubic halide perovskites of Ba3MI3 (M = P, As, Sb) with efficiency above 29%

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Advanced TCAD simulation of two-terminal Sb2S3/CZTSSe tandem solar cells

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Performance engineering of Cs2InSbCl6 lead-free double perovskite solar cells: insights from DFT, SCAPS-1D, wxAMPS, AFORS-HET, Oghmanano, and COMSOL

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Performance optimization and defect studies of Pb-free CsSnBr3-based perovskite solar cells

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Revolutionizing Nontoxic and Highly Stable Cesium‐Based Double Perovskite TSC: Toward Higher Efficiency

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Tailoring the Hole Transport Layer and Understanding the Impact of Sn Oxidation for Different Mixed Halide Perovskite Active Layers: On a Quest for the Perfect Match

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Numerical simulations of the efficiency of BiFeO3 perovskite solar cells

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Exploring the structural, electronic, optical, transport, and photovoltaic properties of Rb2LiGa(Br/I)6 using DFT and SCAPS-1D simulations

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Density functional theory based computation of the optoelectronic properties of double perovskites A2InAgBr6 (A= Na, Cs, Rb, and K) and their performance assessment as absorber for photovoltaic applications

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Insights from computational analysis on novel Lead-Free FrGeCl3 perovskite solar cell using DFT and SCAPS-1D

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CaV0.5Fe0.5O3 as a promising absorber: From first-principles to device-level performance

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An efficient all-perovskite two terminal monolithic tandem solar cell with improved photovoltaic parameters: A theoretical prospect

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Numerical investigation and optimization of highly efficient and stable organic solar cells: OghmaNano (GPVDM) framework

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Impact of CdTe BSF layer on enhancing the efficiency of MoSe2 solar cell

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J Opt, 2025, 54, 1246
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Identifying key design factors in FASnI3-based perovskite solar cells using DFT and SCAPS-1D

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Design insights into (FA)2BiCuI6 based double perovskite solar cells employing different charge transport layers

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Designing a novel PVA-embedded Ag@CdS core@shell nanocrystals for potential nanoelectronic devices

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Surface Innovations, 2025, 13, 235
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An investigation on strain-incited electronic and optical properties of novel inorganic cubic material Sr3AsCl3

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Enhancing solar cell efficiency beyond 27% through the implementation of an efficient charge transport layer utilizing an innovative inorganic perovskite Sr3PI3

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Electronic structures of ABX3 perovskite crystals with a monovalent copper ion as the A-site cation

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Structural and optoelectronic properties of Ba3F2ASe3 (A = Zn and Cd) barium fluoro-selenides for energy storage application: In accordance with the Shockley–Queisser limit

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Advancements in the photovoltaic optimization of a high performance perovskite solar cell based on graphene oxide (GO) hole transport layer

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Optimization Strategies for High‐Efficiency and Stable Chalcogenide BaZrS3 Solar Cells

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A numerical investigation to design and performance optimization of lead-free Cs2TiCl6 based perovskite solar cells with different charge transport layers

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Unraveling the photovoltaic behavior of Cs2NaBiI6 double perovskite: a combined DFT, SCAPS-1D, wxAMPS, COMSOL and machine learning approach

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Highly air-stable and efficient CH3NH3PbI3 solar cells enhanced by ZnO-embedded PCBM electron transport layers

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Apply to the Field of Optoelectronics by Examining Structural, Electronic, Optical, Mechanical, and Thermophysical Properties of FrBeX3 (X = Cl and Br) Perovskites

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DFT-Guided SCAPS-1D Simulation of Single vs. Double Absorber Layer CsGeI3/CsGeI2Br Perovskite Solar Cells

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Advancing lead-free all-inorganic NaSnCl3 based perovskite solar cell for high efficiency: Computational optimization of charge transport layers and material parameters

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Halide Composition Engineered a Non-Toxic Perovskite–Silicon Tandem Solar Cell with 30.7% Conversion Efficiency

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ACS Appl. Electron. Mater., 2023, 5, 5303
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Theoretical analysis and performance optimization of Cs₂AgBiI₆ solar cells with dual hole transport layers

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High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation

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Stable RbCsFAPbI3 perovskite solar cell: numerical modelling and optimisation using SCAPS-1D

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Synergistic grain and interface engineering of Sb2S3 solar cells for outdoor and indoor applications

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Designing High-Performance Tandem Solar Cells Using Pb-free Organic–Inorganic Perovskite Materials

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Theoretical insights of structural, optoelectronic and photovoltaic properties of the type-1111 fluoride pnictides BaFZnPn (Pn = P, As, Sb and Bi)

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Synergistic Enhancement of Carrier Dynamics in Eco‐Friendly Perovskite Solar Cells through Fluorinated Iodide Additive‐Induced Crystallographic and Interface Modifications

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Uniform infrared light field induced rapid crystallization and enhanced stability of perovskite solar cells

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Design Insights and Photovoltaic Performance Analysis of Non-Lead Inorganic RbSnX3 (X = I, Br, Cl) Perovskites through Coupled Density Functional Theory and SCAPS-1D Simulation Frameworks

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Design of Aluminum Doped ZnO/Phenyl-C-Butyric Acid Methyl Ester/Tungsten Disulfide (AZO/PCBM/WS2) Heterojunction-Based Device for Applications in Solar Cells and Broadband Self-Powered Photodetectors

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A comprehensive study to evaluate performances of Cs3Sb2I9-based perovskite solar cell with Spiro-MeOTAD HTL using SCAPS-1D simulator

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Ag doped ZnSe as electron transport layer with enhanced electron mobility and better band alignment for efficient lead free - all inorganic CuBiSCl2 perovskite solar cells: a simulation

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Study on the impact of hole transport materials on loss mechanisms in Pb-free perovskite solar cells: A computational study

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Investigating how the electronic and optical properties of a novel cubic inorganic halide perovskite, Sr3NI3 are affected by strain

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Achieving 22% efficiency by exploring lead-free Novel KSnI3 perovskite solar cells with multiple charge transport layers

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Multifaceted analysis of K2InAgX6 (X = F, Cl, Br, I) for photovoltaic and thermoelectric applications

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Journal of Physics and Chemistry of Solids, 2024, 195, 112291
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