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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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First-principles investigation and photovoltaic assessment of Cs2SnZ6 (Z = Cl, Br, I) lead-free perovskites for future solar technologies

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From optoelectronics to scintillation applications: the versatility of lead-free halide double perovskites

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

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Understanding Auger recombination in perovskite solar cells

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Performance enhancement of FASnI3 perovskite photovoltaic cell through gradient re-arrangement of bulk defect and distinct charge transport layers

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Optimization of ETL layers for CH3NH3SnBr3 -perovskite solar cells through numerical analysis

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An in Depth Analysis of CsSnCl3 Based Perovskite Solar Cell with Diverse ETLs and C6TBTAPH2 as HTL: A Numerical Analysis

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First Principle Investigations of Cesium Based Cubic CsSiX3 (X = Cl and F) Perovskites for Solar Conversion Applications: A DFT Study

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

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New Double Perovskite Solar Cell Containing Ba3PCl3 (A3BX3) and CsSnI3 (ABX3) Leading to an Improved Efficiency Above 30%

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First-principles calculations to investigate the impact of hydrostatic pressure on the physical properties of LiXCl3 (X = Be, Mg) chloroperovskites: An insight for optoelectronics application

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Theoretical Insights into Photovoltaic Application of a Novel Family of Perovskite‐Inspired Pb‐Free Metal Halide Materials

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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

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

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

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Impact of boron substitution on the thermoelectric, mechanical stability, electronic and optical properties of InP alloys

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SCAPS simulation and DFT study of ultra-thin lead-free perovskite solar cells based on RbGeI3

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Establishment of Justified Parameter Optimization Sequence for obtaining Maximum Solar Cell Efficiency

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Computational study of nontoxic Cs2PtI₆ double perovskite as a lead-free photovoltaic absorber

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Investigating the impact of various electron transport layers on the performance of Sn-based perovskite solar cells: A device simulation using SCAPS-1D

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Machine learning–driven optimization of lead-free Rb2GeSnCl6 double perovskite solar cells for high-efficiency sustainable energy

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The R s and R sh vision: a novel framework for engineering high-efficiency n-i-p MAPbI3 perovskite solar cells via a hierarchical pathway to mastering series and shunt resistance

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Unlocking the Potential of Emerging SrZrSe3 Solar Cells with Diverse Inorganic Metal Sulfide Hole Transport Layers

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

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Efficiency enhancement above 31 % of Sb2Se3 solar cells with optimizing various BSF layer

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The Structural, Electronic, Elastic, and Optical Properties of New Double Perovskite Cs2CdPbI6 were Investigated Using a DFT and SCAPS-1D Simulation

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

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Effect of one-dimensional crystal ChPbI3 absorber layer in perovskite solar cells with MXene-assisted ETLs

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A high-efficiency CIGS solar cell design employing BaSnO₃ as ETL and CsPbI₃ as HTL for improved stability and charge transport

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Comprehensive DFT Study on the Structural, Electronic, Optical, Mechanical, and Thermodynamic Behavior of Lead‐Free AZnX3 (A = Al, Ag; X = Cl, Br) Perovskites for Optoelectronic Applications

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Exploring the Optoelectronic and Photovoltaic Characteristics of Lead‐Free Cs2TiBr6 Double Perovskite Solar Cells: A DFT and SCAPS‐1D Investigations

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Adv Elect Materials, 2025, 11
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Computational modelling and improvement of heterojunction perovskite solar cell based on CsPbI3/MAPbX3(X = I1−xBrx)

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Simulation-Based Optimization of the Performance of a CsPbI₃ (Cesium Lead Triiodide) Perovskite Solar Cell Using SCAPS-1D

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Novel Inorganic–Organic Heterojunction Solar Cell-Based Perovskite Using Two Absorbent Materials

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Design principles of crystalline silicon/CsGeI3 perovskite tandem solar cells using a combination of density functional theory and SCAPS-1D frameworks

Babban Kumar Ravidas, Abhijit Das, Suneet Kumar Agnihotri, Rahul Pandey, Jaya Madan, M. Khalid Hossain, Mukesh Kumar Roy and D.P. Samajdar

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Performance Enhancement of Lead-Free CsSnI3 Perovskite Solar Cell: Design and Simulation With Different Electron Transport Layers

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IEEE Access, 2024, 12, 8296
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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

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A qualitative Design and optimization of CIGS-based Solar Cells with Sn2S3 Back Surface Field: A plan for achieving 21.83 % efficiency

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Probing the impact of HTL layers on CsGeCl3-based perovskite solar cells for photovoltaic performance

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Lead-free Ge-based perovskite solar cell incorporating TiO2 and Cu2O charge transport layers harnessing over 25% efficiency

M. Shihab Uddin, Md. Abdullah Al Mashud, G. F. Ishraque Toki, Rahul Pandey, Muhammad Zulfiqar, Okba Saidani, Karnan Chandran, Mohamed Ouladsmane and M. Khalid Hossain

J Opt, 2024, 53, 3726
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Experimental findings and SCAPS-1D simulations for high-efficiency MAPbI3 perovskite solar cells beyond 31%

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A novel design and optimization of Si based high performance double absorber heterojunction solar cell

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Characterization of temperature, moisture and stress distribution in corn drying process based on numerical simulation

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Optimization of efficiency of CsPbI2Br by using different electron transport and hole transport layers: A DFT and SCAPS-1D simulation

Mukaddar Sk

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Investigation of heavy thallium perovskites TlGeX (X = Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study

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Outstanding conversion efficiency of 38.39% from a Perovskite/CIGS tandem PV cell: A synergic optimization through computational modeling

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Strain Effect on the Electronic, Optical, and Mechanical Properties of Inorganic Mg3NBr3 Perovskite: A DFT Study

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Energy Science & Engineering, 2025, 13, 4745
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Design and numerical optimization of an all-perovskite CsPbI3/CsSnGeI3/CsSnI3 triple-junction solar cell via SCAPS-1D simulation

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Journal of Physics and Chemistry of Solids, 2026, 211, 113503
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A review on perovskite materials for photovoltaic applications

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Next Materials, 2025, 7, 100494
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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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Achieving 34 % efficiency with a dual-absorber solar cell design using CaRbCl3 and Ca3NCl3 perovskites

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Study of structural, electronic, optical and mechanical properties of K2ScCuF6 and K2YCuF6 perovskites via DFT calculations

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A computational analysis to enhance performance of CIGS solar cells using back surface field and ZnSe buffer layer approach

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

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Improving the Efficiency of a New Perovskite Solar Cell Based on Sr3SbI3 by Optimizing the Hole Transport Layer

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Emerging BaZrS3 and Ba(Zr,Ti)S3 Chalcogenide Perovskite Solar Cells: A Numerical Approach Toward Device Engineering and Unlocking Efficiency

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Study of Photo‐Conversion Performance of Carbon‐Based 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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A study on defect, doping, and performance of ETLs (ZnO, TiO2, and IGZO) for the lead-free CsSnCl3 perovskite solar cell by SCAPS-1D framework

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Modeling and simulation of > 19% highly efficient PbS colloidal quantum dot solar cell: A step towards unleashing the prospect of quantum dot absorber

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Heterojunction active layer MAPbI3/CsPbI3 design for high-performance perovskite solar cells: a computational analysis achieving 20.5% efficiency

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Unraveling the multifunctional prospects of novel GaSiX3 (X = Cl, I) ternary perovskites for solar cells applications and green energy: A density functional theory approach

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

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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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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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Scrutinizing transport phenomena and recombination mechanisms in thin film Sb2S3 solar cells

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Chalcogenide perovskites for solar energy applications: The role of Sn substitution in BaZrS3-based photovoltaic devices

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Electronic, optical, thermophysical, and mechanical properties of lead-free Ba3SbBr3 perovskite

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Probing the Impact of Four BSF Layers on MASnI3‐Based Lead‐Free Perovskite Solar Cells for >33% Efficiency

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Elucidating the Potential Strategies for Performance Improvement of CBTSSe‐Based Solar Cells: A Pathway Toward 20% Efficiency

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Indium-free nonmetal and Nb co-doped anatase TiO2 transparent conductive oxide materials for photovoltaic applications: From first-principles calculations to macroscopic simulation

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First-principles study of structural, elastic, electronic and optical properties of XRbCl3 (X = Ca, Ba) perovskite compounds

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Introducing a New and Highly Efficient Double‐Absorber Solar Cell with Combination of Sr3PBr3 and CsPbI3 Perovskites

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Tailoring Optoelectronic Properties of A–D–A Type Nonfullerene Acceptors with Fused Aromatic Thiophene-Furan Bridges for Efficient Organic Photovoltaics

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Simulation of Lead-Free Heterojunction CsGeI2Br/CsGeI3-Based Perovskite Solar Cell Using SCAPS-1D

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

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Systematic Engineering of Near-Infrared Small Molecules Based on 4H-Cyclopenta[1,2-b:5,4-b′]dithiophene Acceptors for Organic Solar Cells

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

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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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Design and numerical modeling of environmentally compatible HTL-free organic-inorganic perovskite solar cells

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

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Journal of Physics and Chemistry of Solids, 2025, 207, 112944
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Mathematical Modeling and Optimization of Highly Efficient Nontoxic All-Inorganic CsSnGeI3-Based Perovskite Solar Cells with Oxide and Kesterite Charge Transport Layers

Muhammad Noman, Ihsan Nawaz Khan, Affaq Qamar, Khalid AlSnaie and Hassan M. Hussein Farh

ACS Omega, 2024, 9, 11398
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Performance improvement of perovskite/CIGS tandem solar cell using barium stannate charge transport layer and achieving PCE of 39 % numerically

Eluri Priyanka and Deboraj Muchahary

Solar Energy, 2024, 267, 112218
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Unveiling the potential of lead-free KInBr 3 and RbInBr 3 perovskites: a breakthrough in optoelectronic and photovoltaic performance through DFT (HSE hybrid functional) and SCAPS-1D simulations

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Phase Transitions, 2024, 97, 826
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An overview of the numerical modeling, simulation, and optimization methods: toward the design of highly efficient planer perovskite solar cells

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Discov Electron, 2024, 1
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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

M. Khalid Hossain, G.F. Ishraque Toki, A. Kuddus, Mustafa K.A. Mohammed, Rahul Pandey, Jaya Madan, Sagar Bhattarai, Md. Ferdous Rahman, D.K. Dwivedi, Mongi Amami, H. Bencherif and D.P. Samajdar

Materials Chemistry and Physics, 2023, 308, 128281
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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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Investigating the photovoltaic performance of Aziridinium lead iodide perovskite solar cells with different charge transport layers using DFT and SCAPS-1D

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Optics Communications, 2026, 599, 132651
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Highly efficient SnS-based inverted planar heterojunction solar cell with ZnO ETL

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Phys. Scr., 2023, 98, 065501
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Investigating of novel inorganic cubic perovskites of A3BX3 (A=Ca, Sr, B P, As, X=I, Br) and their photovoltaic performance with efficiency over 28%

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Journal of Alloys and Compounds, 2024, 986, 174097
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An in-depth study on charge transport layers for designing and optimizing high-efficiency lead-free CsSnGeI3-based double-perovskite solar cells: A numerical approach

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Journal of Physics and Chemistry of Solids, 2025, 203, 112715
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A Sputtered Gig-Lox TiO2 Sponge Integrated with CsPbI3:EuI2 for Semitransparent Perovskite Solar Cells

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Enhancing RbSnBr3 perovskite solar cells performances: machine learning-driven optimization of active layers and electron transport materials using SCAPS-1D

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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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Progress in Photovoltaics, 2024, 32, 25
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Architecture guidelines for Cu2SrSnS4 solar cells using chalcogenide and oxide hole transport layers by SCAPS-1D simulation

Kaviya Tracy Arockiadoss, Aruna-Devi Rasu Chettiar, Md Ferdous Rahman, M. Khalid Hossain and Latha Marasamy

Journal of Physics and Chemistry of Solids, 2025, 203, 112732
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Performance Investigation and Efficiency Enhancement of Eco-Friendly Tin-Based CH3NH3SnI3 Perovskite Solar Cell via SCAPS-1D

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On the Structural, Magnetic, Electronic, Optical, and Thermoelectric Characteristics of the Solar Perovskite CsCdI3: DFT and SCAPS-1D Studies

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Lead-free Cs2TiBr6 perovskite solar cells achieving high power conversion efficiency through device simulation

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Micro and Nanostructures, 2024, 196, 207991
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Optoelectronic Properties of Double Perovskites: Influence of Fe/Co Substitution and Magnetic Ordering on Band Structures and Bandgaps

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J. Electron. Mater., 2026, 55, 4647
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Silvaco simulation of single and bilayer Cs2PtI6 and CsPbI3 perovskite solar cells

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Phys. Scr., 2025, 100, 076103
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Modeling and Optimization of Modified TiO2 with Aluminum and Magnesium as ETL in MAPbI3 Perovskite Solar Cells: SCAPS 1D Frameworks

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ACS Omega, 2024
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Harnessing the potential of RbPbBr3 halide perovskite solar cells using C6TBTAPH2 as hole transport layer: A numerical analysis

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Design and Optimization of a Lead-Free Cesium Titanium Bromide-Based Solar Cell with Different Buffer Layers: A Numerical Device Simulation

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Improved performance of inorganic CsPbI3 perovskite solar cells with WO3/C60 UTL bilayer as an ETL structure: a computational study

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Phys. Scr., 2024, 99, 055951
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I-MASnBr3 /CZTGS Heterojunction Solar Cell Layer Optimization Investigated Using Scaps-1D Software Exhibited Excellent Performance at 50 %

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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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ACS Omega, 2024, 9, 19824
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Efficiency improvement of lead-free Rb2LiInBr6 perovskite solar cells via TiO2 and MoO3

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Inorganic Chemistry Communications, 2026, 186, 116362
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Optimizing power conversion efficiency in (FA)₂BiCuI₆ double perovskite solar cells: advanced strategies for performance enhancement

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Numerical investigation of dual-side carrier dynamics in a band engineered bifacial n-FASnI3/p-FA0.75Cs0.25SnI3 heterojunction perovskite solar cells

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Simulation and optimization of a CsSnI3/CsSnGeI3/Cs3Bi2I9 based triple absorber layer perovskite solar cell using SCAPS-1D

Umme Mabrura Umama, Mohammad Iftekher Ebne Jalal, Md Adnan Faisal Siddique, Udhay Chowdhury, Md Inzamam Ul Hoque and Md Jahidur Rahman

Journal of Physics and Chemistry of Solids, 2025, 198, 112480
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A comprehensive study on electron and hole transport layers for designing and optimizing the efficiency of MoSe2-Based solar cells using numerical simulation techniques

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Bandgap Engineering, Device Optimization, and Performance Analysis of a Perovskite Solar Cell using Sr‐Doped La2NiMnO6 as an Absorber Layer: A Promising Material for Next‐Generation Perovskite Solar Cells

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Solar RRL, 2025, 9
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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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Journal of Physics and Chemistry of Solids, 2024, 185, 111791
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Performance enhancement of inorganic Cs2AgInBr6-based perovskite solar cell by numerical simulation

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Journal of Physics and Chemistry of Solids, 2024, 193, 112184
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Strain effect on the physical properties of novel Mg3NI3 perovskite material: First principle DFT analysis

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Two-dimensional pure and bromine doped MoTe2 and WSe2 as electron transport materials for photovoltaic application: A DFT approach

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A numerical approach to optimize the efficiency of a novel HTL-free Sr3Ti2S7 Ruddlesden-Popper perovskite solar cell

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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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Langmuir, 2025, 41, 6657
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Rubidium based new lead free high performance perovskite solar cells with SnS2 as an electron transport layer

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Materials Today Communications, 2024, 39, 108714
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RETRACTED: Design and numerical simulation of lead-free inorganic perovskites (Cs2BiAgI6) solar cell through computation method

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Heliyon, 2024, 10, e33922
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Innovative double absorber solar cell design combining Ca3AsI3 and Ca3PI3 perovskites for achieving over 29% efficiency

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Optics & Laser Technology, 2025, 183, 112399
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Unveiling the potential of Cs2 AgBiBr6 double perovskite solar cells: a detailed study of the optoelectronic and photovoltaic properties via DFT and SCAPS-1D frameworks

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Phys. Scr., 2025, 100, 125936
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A comprehensive investigation involving numerous HTL and ETL layers to design and simulate high-efficiency Ca3AsI3-based perovskite solar cells

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Inorganic Chemistry Communications, 2025, 172, 113647
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Design and Performance Optimization of MASnI3-Based Efficient Optoelectronic Device for Energy Harvesting P.V. Applications

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Journal of Nanoelectronics and Optoelectronics, 2025, 20, 715
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A numerical strategy to achieving efficiency exceeding 27% with a novel dual absorber perovskite solar cell using BaZrSe3 and CsPbI3

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Opt Quant Electron, 2025, 57
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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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J Opt, 2025, 54, 3326
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DFT study of structural, electronic, optical and elastic properties of lead-free Bi based perovskites X2NaBiCl6 (X= K and Rb) with pressure

Anuradha, Deepak K. Meena, Monika Rani, Sunil Kumawat, Vishnu K. Gurjar, Ajay Singh Verma and Gunjan Arora

Materials Today Communications, 2024, 41, 110433
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Design and optimization of Cs2SnI6 based inorganic perovskite solar cell model: numerical simulation

Qi Chen and Zaixiang Qiao

Phys. Scr., 2024, 99, 065940
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High-efficiency selenium and sulfur based p-Sb2Se3/n-BaZrS3 heterostructure solar cells: A SCAPS-1D simulation study

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

Journal of Physics and Chemistry of Solids, 2025, 199, 112490
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Effect of Pb-site doping on the structure, electronic and mechanical properties of CsPbI3 perovskite: A first-principles study

Jinxin Xue, Shubo Zhang, Bin Xiao, Mingzhen Zhu, Meijia Gao and Shuhui Lv

Materials Today Communications, 2024, 40, 109991
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Enhanced photovoltaic performance and minimal hysteresis of perovskite solar cells using caffeine-modified MAPbI3 light-harvesting material

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SPQEO, 2026, 29, 105
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Defect and Thickness Optimization of Perovskite for High Efficiency Solar Cells

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DDF, 2024, 433, 27
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Unveiling the potential of non-toxic Ge based perovskite material for all inorganic solar cells using multiple ETLs

Fozlur Rayhan, Md Hamidur Rahman, Sohel Rana, Dipika Das Ria, Jannati Islam Chy, Md Shakib Hosen, Tanzir Ahamed, Jerry Sarpong, Kelly Yegbe and Md Shihab Uddin

Photonics and Nanostructures - Fundamentals and Applications, 2025, 66, 101425
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Advancing HTL‐Free Cs2PtI6Carbon Perovskite Solar Cells: Insights from Hybrid Simulation and Machine Learning

Mahasen H. Albelbeisi, Saleh Chebaane, Sana Ben Khalifa and Norah A. M. Alsaif

Advcd Theory and Sims, 2026, 9
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Performance improvement of CZTS-based hybrid solar cell with double hole transport layer using extensive simulation

Sagar Bhattarai, M. Khalid Hossain, Jaya Madan, Rahul Pandey, D.P. Samajdar, P.K. Kalita, Ahmed Nabih Zaki Rashed, Mohd Zahid Ansari and Mongi Amami

Journal of Physics and Chemistry of Solids, 2023, 183, 111641
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Numerical simulation and comparative theoretical analysis of performance optimization for perovskite solar cells based on SCAPS-1D

Shiwen LI, Bao ZHOU, Qirong ZHAO, Xiaobo YANG, Zaixin XIE, Zhuoqi DUAN, Enming ZHAO and Yongmao HU

Acta Phys. Sin., 2025, 74, 127701
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Improving the power conversion efficiency of RbPbBr3 absorber based solar cells through the variation of efficient hole transport layers

Avijit Ghosh, Mohammad Shakhawat Hossain, Ferdous Ahmed, Mst. Miftahul Jannat Juhi, Md. Mahbubur Rahman, Nasser S. Awwad, Hala A. Ibrahium, Rafin Kabir, Md Farad Ahmmed, Md. Maniruzzaman and Md Muminur Rahman Sonic

Journal of Physics and Chemistry of Solids, 2024, 193, 112179
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Optimized integration of shape-tailored metallic nanostructures for performance enhancement in all-inorganic perovskite solar cells

Swagata Bankura and Abhijit Biswas

Journal of Physics and Chemistry of Solids, 2025, 207, 112942
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Boosting efficiency above 30 % of novel inorganic Ba3SbI3 perovskite solar cells with potential ZnS electron transport layer (ETL)

Md. Ferdous Rahman, Md. Naim Hasan Toki, Abdul Kuddus, Mustafa K.A. Mohammed, Md. Rasidul Islam, Sagar Bhattarai, Jaya Madan, Rahul Pandey, Riadh Marzouki and Mosbah Jemmali

Materials Science and Engineering: B, 2024, 300, 117073
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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

Solar Energy, 2025, 295, 113539
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In‐Depth Review of Multiphysics and Circuit Simulation Approaches for Perovskite Solar Cells

Yuan Lv, Zhida Wang, Cheng Qiu and Yue Hu

Solar RRL, 2025, 9
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20.730% highly efficient lead-free CsSnI3-based perovskite solar cells with various charge transport materials: a SCAPS-1D study

Eli Danladi, Lewis F. Obagboye, Samson Aisida, Fabian I. Ezema, Okike Okorie, Jonah A. Bwamba, Paul A. Emmanuel, Auwal A. Hussaini, Peverga R. Jubu and Anthony C. Ozurumba

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Enhancing the efficiency of lead-free perovskite solar cells: The contribution of WS2 and CBTS to improving Cs2AgBiBr6 performance

Md. Shamim Reza, Avijit Ghosh, Saeed Hasan Nabil, Nasser S. Awwad, Hala A. Ibrahium and Islam Uddin Shipu

Inorganic Chemistry Communications, 2025, 181, 115291
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Enhancing the efficiency of HTL-free Cs4CuSb2Cl12 carbon-based perovskite solar cells to over 27 % via gradient structure

Weiqiang Yang, Wenjun Li, Tianyi Li and Qiulin Liu

Renewable Energy, 2026, 256, 124022
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Pressure‐Induced Structural, Electronic, and Optical Properties of Lead‐Free NaGeX3 (X = F, Cl, Br, and I) Perovskites: First‐Principles Calculation

Md. Amran Sarker, Mahin Muntasir, Md. Al Momin, Md. Solayman and Md. Rasidul Islam

Advcd Theory and Sims, 2024, 7
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Optimization of buffer layers for CZTSSe solar cells through advanced numerical modelling

Tanzir Ahamed, Fozlur Rayhan, Imteaz Rahaman, Md Hamidur Rahman, Md Mehedi Hasan Bappy, Tanvir Ahammed and Sampad Ghosh

Journal of Physics and Chemistry of Solids, 2025, 204, 112744
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Structural, electronic and optical characteristics of inorganic cubic perovskite Sr3AsI3

Avijit Ghosh, Md. Ferdous Rahman, Md. Rasidul Islam, Md. Shoriful Islam, M. Khalid Hossain, Sagar Bhattarai, Rahul Pandey, Jaya Madan, Md. Atikur Rahman and Abu Bakar Md. Ismail

Opt. Continuum, 2023, 2, 2144
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Efficient planar mixed-cation perovskite photovoltaics with low-temperature-processed indium sulfide as electron transport material

Ban K. Mohammed, Mustafa K.A. Mohammed and Duha S. Ahmed

Solid-State Electronics, 2023, 204, 108640
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Harnessing Sr₃SbI₃ perovskites with optimized charge transport layers for high-efficiency solar energy conversion

Zeeshan Khan, M․Imran Khan, Muhammad Ismail and Muhammad Farooq

Results in Engineering, 2025, 27, 106954
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The optical and electronic properties of inorganic halide perovskite Sr3NCl3 under applied biaxial strain

Md. Ferdous Rahman, Md. Hafizur Rahman, Md. Rasidul Islam, M. Khalid Hossain, Avijit Ghosh, Md. Shoriful Islam, Md. Monirul Islam, Md. Harun-Or-Rashid, Hind Albalawi and Q. Mahmood

J Mater Sci, 2023, 58, 13100
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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

Sheikh Rashel Al Ahmed

Energy Fuels, 2024, 38, 1462
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A deep dive into structural, electronic, optical, and mechanical properties of ATiO3 (A = Ba, Th): DFT insights

Md Solayman, Md Rafiqul Islam, Md Amran Sarker, Razia Khan Sharme, Md Al Momin, Md Rasidul Islam and Asif Abdullah Khan

Phys. Scr., 2023, 98, 125944
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An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells

M. Khalid Hossain, Kazi Md Sadat, M. Shihab Uddin, Apon Kumar Datta, Prakash Kanjariya, M. Sudhakara Reddy, Rishiv Kalia, Barani Selvaraj, Aboud Ahmed Awadh Bahajjaj, R. Balachandran, Ali Hajjiah and Rajesh Haldhar

Sci Rep, 2025, 15
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Modeling the Performance of BaZrS3-Based Perovskite Solar Cells Using SCAPS-1D

M Khalid Hossain, Dipika Das Ria, M Shihab Uddin, Sahjahan Islam, Prakash Kanjariya, Asha Rajiv, Aman Shankhyan, Helen Merina Albert, Abdullah M S Alhuthali, Alsharef Mohammad, Ayman A Aly and Rajesh Haldhar

Semiconductors, 2026, 60, 147
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Numerical investigation and experimental validation of CFTS/CdS heterojunction solar cells via structural and material parameter optimization using SCAPS-1D

Abhijit A. Yadav, Renuka R. Londhe and Vidya Nand Singh

Discov. Electrochem., 2026, 3
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A Numerical Strategy for Achieving Efficiency Exceeding 32% with a Novel Lead‐Free Dual‐Absorber Solar Cell Using Ca3SbI3 and Sr3SbI3 Perovskites

Md. Ferdous Rahman, Mahabur Rahman, Md. Faruk Hossain, Benjer Islam, Sheikh Rashel Al Ahmed and Ahmad Irfan

Advanced Photonics Research, 2025, 6
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Deep insights into the coupled optoelectronic analysis of ETL thin films and photovoltaic analysis of CsPbI3-based perovskite solar cell using SCAPS-1D simulations

Salah Eddine Boussaada, Younes Mouchaal, Houaria Riane and Abdelbacet Khelil

Opt Quant Electron, 2025, 57
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A computational investigation of ZnOS buffer layer integration for improved performance of perovskite solar cell

Aqsa Islam, Syed Zulqarnain Haider, Mingqing Wang and Hafeez Anwar

Opt Quant Electron, 2025, 57
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Highly efficient (31%) of rubidium-based halide perovskite solar cell using SCAPS-1D simulation

Nure Alam Sakib, Rezvi Ahammed, Md. Tarekuzzaman, Hmoud Al-Dmour, Md. Rasheduzzaman, Md. Nazmus Sakib, M. Moazzam Hossen and Md. Zahid Hasan

AIP Advances, 2025, 15
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Performance enhancement of an eco-friendly CsSnI3-based perovskite solar cell using numerical simulation

Marzieh Hasani and Ali Fattah

Appl. Opt., 2025, 64, 4818
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An in-depth investigation of CsPbI2Br-based mixed halide perovskite solar cells: A numerical approach

Sohel Rana, M. Khalid Hossain, M. Shihab Uddin, Ripel Chakma, Prakash Kanjariya, Asha Rajiv, Aman Shankhyan, M. Hafijul Islam, Alsharef Mohammad, Ayman A. Aly, Abdullah M.S. Alhuthali, Mohamed H.H. Mahmoud and Rajesh Haldhar

Journal of Physics and Chemistry of Solids, 2026, 208, 113191
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Impact of A-Cations Modified on the Structural, Electronic, Optical, Mechanical, and Solar Cell Performance of Inorganic Novel A3NCl3 (A = Ba, Sr, and Ca) Perovskites

Md. Azizur Rahman, Md. Ferdous Rahman, Latha Marasamy, Md. Harun-Or-Rashid, Avijit Ghosh, Aijaz Rasool Chaudhry and Ahmad Irfan

Energy Fuels, 2024, 38, 8199
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Consistency between theoretical conduction models and experimental conductivity measurements of strontium-doped lanthanum manganite

W. Hizi, H. Rahmouni, K. Khirouni and E. Dhahri

Journal of Alloys and Compounds, 2023, 957, 170418
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Improving the performance of perovskite solar cells with carbon nanotubes as a hole transport layer

Mustafa K. A. Mohammed, Ali K. Al-Mousoi, Sangeeta Singh, Anjan Kumar, M. Khalid Hossain, Sinan Q. Salih, P. Sasikumar, Rahul Pandey, Anuja A. Yadav and Zaher Mundher Yaseen

Optical Materials, 2023, 138, 113702
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High-efficiency bi-layer solar cell design using CsPbI3 and CsSnI3: insights from DFT analysis and SCAPS-1D modelling

Gourav, Mukaddar Sk, M. T. Islam, Ibrar, Safiya Saifi and Anurag Pandey

Opt Quant Electron, 2025, 57
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Comprehensive Numerical Simulation and Optimization of Lead-free Graded 2D-3D Perovskite Solar Cells

Nikita, Rikmantra Basu, Jaspinder Kaur, Preeti Verma, Ajay Kumar Sharma, Jaya Madan and Rahul Pandey

Solar Energy, 2025, 287, 113204
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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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Pressure-Influenced Comparative Investigation of Electronic, Optical, Structural, and Mechanical Properties of Non-toxic Halide Perovskites FrCaX3 (X = Cl, Br, and I): A First-Principles Investigation for Advanced Optoelectronic Applications

Mohshina Binte Mansur, Fariha Farhan, Nusrat Jahan Nisha, Md. Bayjid Hossain Parosh, B. M. Nafiz Anam, Istiak Ahmed Ovi, Jehan Y. Al-Humaidi and Md. Rasidul Islam

J Inorg Organomet Polym, 2025, 35, 7487
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