Bandgap Tuning and Input Parameter Optimization for Lead‐Free All‐Inorganic Single, Double, and Ternary Perovskite‐Based Solar Cells

Jayan, Deepthi Jayan

doi:10.1002/solr.202100971

Cited by 17 publications

(7 citation statements)

References 48 publications

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“…The N A absorber modifies its electrical conductivity and determines the charge separation efficiency of the solar cells 98 . According to the Mott criterion, the maximum carrier concentration limit of CZTS is 10 18 cm −3 .…”

Section: Resultsmentioning

confidence: 99%

Highly efficient emerging Ag2BaTiSe4 solar cells using a new class of alkaline earth metal-based chalcogenide buffers alternative to CdS

Arockiya Dass,

Hossain,

Marasamy

2024

Sci Rep

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Cu2ZnSn(S,Se)4 is a non-toxic, earth-abundant photovoltaic absorber. However, its efficiency is limited by a large open circuit voltage (VOC) deficit occurring due to its antisite defects and improper band alignment with toxic CdS buffer. Therefore, finding an absorber and non-toxic buffers that reduce VOC deficit is crucial. Herein, for the first time, Ag2BaTiSe4 is proposed as an alternative absorber using SCAPS-1D wherein a new class of alkaline earth metal chalcogenide such as MgS, CaS, SrS, and BaS is applied as buffers, and their characteristics are compared with CdS to identify their potential and suitability. The buffer and absorber properties are elucidated by tuning their thickness, carrier concentration, and defect density. Interestingly, optimization of the buffer’s carrier concentration suppressed the barrier height and accumulation of charge carriers at the absorber/buffer interface, leading to efficiencies of 18.81%, 17.17%, 20.6%, 20.85%, 20.08% in MgS, CaS, SrS, BaS, and CdS-based solar cells respectively. Upon optimizing Ag2BaTiSe4, MoSe2, and interface defects maximum efficiency of > 28% is achieved with less VOC loss (~ 0.3 V) in all solar cells at absorber’s thickness, carrier concentration, and defect density of 1 µm, 1018 cm−3, 1015 cm−3 respectively, underscoring the promising nature of Ag2BaTiSe4 absorber and new alkaline earth metal chalcogenide buffers in photovoltaics.

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Section: Resultsmentioning

confidence: 99%

Highly efficient emerging Ag2BaTiSe4 solar cells using a new class of alkaline earth metal-based chalcogenide buffers alternative to CdS

Arockiya Dass,

Hossain,

Marasamy

2024

Sci Rep

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“…Therefore, the negative E c offset promotes electron transmission from the Cs 3 Bi 2 I 9 layer to the photocathode, and the negative E v offset can be in favor of hole transmission from the Cs 2 TiBr 6 layer to the FTO. The materials parameters used in our simulations were summarized from relational literature as seen in Table 1 [ 11 , 17 , 19 , 34 – 36 ]. The electrons and holes thermal velocity are all 10 7 cm/s.…”

Section: Simulation Methodology and Device Configurationmentioning

confidence: 99%

Design and simulation investigations on charge transport layers-free in lead-free three absorber layer all-perovskite solar cells

Li,

Xu,

Chen

2024

Front. Optoelectron.

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The multiple absorber layer perovskite solar cells (PSCs) with charge transport layers-free (CTLs-free) have drawn widespread research interest due to their simplified architecture and promising photoelectric characteristics. Under the circumstances, the novel design of CTLs-free inversion PSCs with stable and nontoxic three absorber layers (triple Cs3Bi2I9, single MASnI3, double Cs2TiBr6) as optical-harvester has been numerically simulated by utilizing wxAMPS simulation software and achieved high power conversion efficiency (PCE) of 14.8834%. This is owing to the innovative architecture of PSCs favors efficient transport and extraction of more holes and the slender band gap MASnI3 extends the absorption spectrum to the near-infrared periphery compared with the two absorber layers architecture of PSCs. Moreover, the performance of the device with p-type-Cs3Bi2I9/p-type-MASnI3/n-type-Cs2TiBr6 architecture is superior to the one with the p-type-Cs3Bi2I9/n-type-MASnI3/n-type-Cs2TiBr6 architecture due to less carrier recombination and higher carrier life time inside the absorber layers. The simulation results reveal that Cs2TiF6 double perovskite material stands out as the best alternative. Additionally, an excellent PCE of 21.4530% can be obtained with the thicker MASnI3 absorber layer thickness (0.4 µm). Lastly, the highest-performance photovoltaic devices (28.6193%) can be created with the optimized perovskite doping density of around E15 cm3 (Cs3Bi2I9), E18 cm3 (MASnI3), and 1.5E19 cm3 (Cs2TiBr6). This work manifests that the proposed CTLs-free PSCs with multi-absorber layers shall be a relevant reference for forward applications in electro-optical and optoelectronic devices. Graphical Abstract

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“…Proper band alignment properties, high transparency and higher stability are the reasons behind this enhancement. 36,50,53) As PCE, FF, V OC , and J SC all are important parameters, CuSbS 2 can be chosen as the optimum HTL. So, finally, the optimum configuration is FTO/TiO 2 /BaZrS 3 /CuSbS 2 /Au which shows PCE of 4.41%, FF of 39.34%, V oc of 0.7815 V and J sc of 14.354 mA cm −2 .…”

Section: Effect Of Different Materials As Hole Transport Layermentioning

confidence: 99%

Device modelling and performance analysis of chalcogenide perovskite-based solar cell with diverse hole transport materials and back contact metals

Alkhammash

Haque

2023

Jpn. J. Appl. Phys.

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Recently chalcogenide perovskites (C-PSKs) have taken attention as a potential alternative to halide perovskites in the photo-voltaic (PV) industry. Especially BaZrS3 has shown its superior optoelectronic properties and stability. In this research, the performance of BaZrS3-based PSCs with TiO2 as electron transport layer (ETL) has been intensively studied through numerical simulation for different hole transport layers (HTLs). CuSbS2 has performed the best as HTL. By considering this HTL, the thickness and defect density of the absorber layer, interface defects, doping concentration in the absorber layer, ETL and HTL have been optimized for the best performance. Different back contact metals have been tested also for finding the best cell performance. The best-performed PSC has shown VOC, JSC, FF and PCE as 1.00295 V, 22.571 mA/cm2, 73.7% and 17.13 %, respectively. This research shows a path to the researchers suggesting that BaZrS3-based solar cells can be a substitute of toxic lead-based perovskite.

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Bandgap Tuning and Input Parameter Optimization for Lead‐Free All‐Inorganic Single, Double, and Ternary Perovskite‐Based Solar Cells

Cited by 17 publications

References 48 publications

Highly efficient emerging Ag2BaTiSe4 solar cells using a new class of alkaline earth metal-based chalcogenide buffers alternative to CdS

Highly efficient emerging Ag2BaTiSe4 solar cells using a new class of alkaline earth metal-based chalcogenide buffers alternative to CdS

Design and simulation investigations on charge transport layers-free in lead-free three absorber layer all-perovskite solar cells

Device modelling and performance analysis of chalcogenide perovskite-based solar cell with diverse hole transport materials and back contact metals

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