Numerical analysis of FeSi2 based solar cell with PEDOT:PSS hole transport layer

Ali, Md. Hasan; Islam, A.T.M. Saiful; Haque, Md. Dulal; Rahman, Md. Ferdous; Hossain, Md. Forhad; Sultana, Nasrin; Islam, Abu Zafor Md. Touhidul

doi:10.1016/j.mtcomm.2023.105387

Cited by 36 publications

(12 citation statements)

References 36 publications

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“…To model perovskite PSCs, the ELIS department at the University of Gent developed the SCAPS-1D code. With the help of realistic and accurate back-end physical equations, a wide range of device architectures can be designed and investigated using the flexible PV software SCAPS 1D. − This software simulates photovoltaic processes like light absorption, exciton generation, charge transfer and collection, and recombination. Equation defines Poisson’s equation, which defines the relation between electrostatic potential and the charge density distribution …”

Section: Materials and Methodologymentioning

confidence: 99%

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

Hossain

Samajdar

Mushtaq³

et al. 2023

ACS Omega

124

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CsSnI 3 is considered to be a viable alternative to lead (Pb)-based perovskite solar cells (PSCs) due to its suitable optoelectronic properties. The photovoltaic (PV) potential of CsSnI 3 has not yet been fully explored due to its inherent difficulties in realizing defect-free device construction owing to the nonoptimized alignment of the electron transport layer (ETL), hole transport layer (HTL), efficient device architecture, and stability issues. In this work, initially, the structural, optical, and electronic properties of the CsSnI 3 perovskite absorber layer were evaluated using the CASTEP program within the framework of the density functional theory (DFT) approach. The band structure analysis revealed that CsSnI 3 is a direct band gap semiconductor with a band gap of 0.95 eV, whose band edges are dominated by Sn 5s/5p electrons After performing the DFT analysis, we investigated the PV performance of a variety of CsSnI 3 -based solar cell configurations utilizing a one-dimensional solar cell capacitance simulator (SCAPS-1D) with different competent ETLs such as IGZO, WS 2 , CeO 2 , TiO 2 , ZnO, PCBM, and C 60 . Simulation results revealed that the device architecture comprising ITO/ETL/CsSnI 3 /CuI/Au exhibited better photoconversion efficiency among more than 70 different configurations. The effect of the variation in the absorber, ETL, and HTL thickness on PV performance was analyzed for the above-mentioned configuration thoroughly. Additionally, the impact of series and shunt resistance, operating temperature, capacitance, Mott−Schottky, generation, and recombination rate on the six superior configurations were evaluated. The J−V characteristics and the quantum efficiency plots for these devices are systematically investigated for in-depth analysis. Consequently, this extensive simulation with validation results established the true potential of CsSnI 3 absorber with suitable ETLs including ZnO, IGZO, WS 2 , PCBM, CeO 2 , and C 60 ETLs and CuI as HTL, paving a constructive research path for the photovoltaic industry to fabricate cost-effective, high-efficiency, and nontoxic CsSnI 3 PSCs.

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Section: Materials and Methodologymentioning

confidence: 99%

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

Hossain

Samajdar

Mushtaq³

et al. 2023

ACS Omega

124

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“…It is possible to categorize HTLs into inorganic, small molecule, and polymeric subsets based on their molecular structures. Over the years, HTLs like Cu 2 O, CuSCN, NiO, P3HT, PEDOT:PSS, Spiro-MeOTAD, and CuI gained popularity due to their application and performance in various studies. ,− Out of all of these HTLs, Cu 2 O is a nontoxic p-type semiconductor with a direct gap of ∼2.1 eV . Cu 2 O thin films have been formed using low-cost methods such as spin-coating and spray-pyrolysis deposition in ambient air, making them a more appealing option.…”

Section: Introductionmentioning

confidence: 99%

Photovoltaic Performance Investigation of Cs₃Bi₂I₉-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

et al. 2023

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Cs 3 Bi 2 I 9 as a solar absorber material is a strong contender for lead-free perovskite solar cells (PSCs). The presence of bismuth (Bi) in Cs 3 Bi 2 I 9 leads to the origin of interesting optoelectronic properties along with a suitable optical band gap and high absorption coefficient. However, further analysis of the crystal structure, optical, and electronic properties of this material is required for efficient photovoltaic (PV) applications. The potential of Cs 3 Bi 2 I 9 perovskite as an absorber layer for solar cells (SCs) was first analyzed by performing density functional theory (DFT) calculations to observe its structural, optical, and electronic properties. Band structure reveals an indirect band gap (2.42 eV), and density of states (DOS) data show good conductivity primarily contributed by the 5p and 6s orbital electrons of I and Bi atoms. Strong electronic charge buildup is seen in the electronic charge density map surrounding the I atom, as well as the covalent bonds between the I and Bi atoms. The frequency-dependent dielectric function and absorption calculations reveal that Cs 3 Bi 2 I 9 might be a potential material in optoelectronic and photovoltaic systems. We also performed numerical simulations using the one-dimensional solar cell capacitance simulator (SCAPS-1D) for 49 different PSC configurations with Cs 3 Bi 2 I 9 absorber, electron transport layers (ETLs) comprising WS 2 , indium−gallium−zinc oxide (IGZO), SnO 2 , ZnO, C 60 , TiO 2 , and phenyl-C61-butyric acid methyl ester (PCBM), and hole transport layers (HTLs) like Cu 2 O, CuSCN, NiO, poly(3-hexylthiophene) (P3HT), poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS), Spiro-MeOTAD, and CuI. Simulation results reveal that the Cu 2 O HTL exhibited the best power conversion efficiency (PCE) for all of the ETLs. Of the 49 configurations, the six best configurations with the Cu 2 O HTL and different ETLs were analyzed to study the effect of absorber and ETL thickness, series and shunt resistances, operating temperature, capacitance, Mott−Schottky, generation, and recombination rate on the PV performance. Current−voltage (J−V) characteristics and quantum efficiency (QE) were computed for all of these configurations to understand the impact of the absorber, ETL, and HTL on the PV parameters. This comprehensive simulation study will assist researchers in the fabrication of cheap and efficient PSCs without lead and open new horizons in the field of solar technology.

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“…[1][2][3][4][5] In response, photovoltaic (PV) solar cells appear to be one of the most promising solutions for sustainable energy production, offering both environmental benets and cost-effectiveness. [6][7][8] Among the various types of PV solar cells, thin lm solar cells (TFSCs) have gained widespread consideration due to their fast growth and potential for high performance. [9][10][11][12][13][14] However, the efficiency of TFSCs is strongly inuenced by the choice of semiconductor materials and growth methods employed.…”

Section: Introductionmentioning

confidence: 99%

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

et al. 2023

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Numerical analysis of FeSi2 based solar cell with PEDOT:PSS hole transport layer

Cited by 36 publications

References 36 publications

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

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

Photovoltaic Performance Investigation of Cs₃Bi₂I₉-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

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

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Numerical analysis of FeSi2 based solar cell with PEDOT:PSS hole transport layer

Cited by 36 publications

References 36 publications

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

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

Photovoltaic Performance Investigation of Cs3Bi2I9-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

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

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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

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

Photovoltaic Performance Investigation of Cs₃Bi₂I₉-Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks

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